---
_id: '14404'
abstract:
- lang: eng
  text: A light-triggered fabrication method extends the functionality of printable
    nanomaterials
acknowledgement: The authors thank the Werner-Siemens-Stiftung and the Institute of
  Science and Technology Austria for financial support.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Daniel
  full_name: Balazs, Daniel
  id: 302BADF6-85FC-11EA-9E3B-B9493DDC885E
  last_name: Balazs
  orcid: 0000-0001-7597-043X
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
citation:
  ama: Balazs D, Ibáñez M. Widening the use of 3D printing. <i>Science</i>. 2023;381(6665):1413-1414.
    doi:<a href="https://doi.org/10.1126/science.adk3070">10.1126/science.adk3070</a>
  apa: Balazs, D., &#38; Ibáñez, M. (2023). Widening the use of 3D printing. <i>Science</i>.
    AAAS. <a href="https://doi.org/10.1126/science.adk3070">https://doi.org/10.1126/science.adk3070</a>
  chicago: Balazs, Daniel, and Maria Ibáñez. “Widening the Use of 3D Printing.” <i>Science</i>.
    AAAS, 2023. <a href="https://doi.org/10.1126/science.adk3070">https://doi.org/10.1126/science.adk3070</a>.
  ieee: D. Balazs and M. Ibáñez, “Widening the use of 3D printing,” <i>Science</i>,
    vol. 381, no. 6665. AAAS, pp. 1413–1414, 2023.
  ista: Balazs D, Ibáñez M. 2023. Widening the use of 3D printing. Science. 381(6665),
    1413–1414.
  mla: Balazs, Daniel, and Maria Ibáñez. “Widening the Use of 3D Printing.” <i>Science</i>,
    vol. 381, no. 6665, AAAS, 2023, pp. 1413–14, doi:<a href="https://doi.org/10.1126/science.adk3070">10.1126/science.adk3070</a>.
  short: D. Balazs, M. Ibáñez, Science 381 (2023) 1413–1414.
date_created: 2023-10-08T22:01:16Z
date_published: 2023-09-29T00:00:00Z
date_updated: 2023-10-09T07:32:58Z
day: '29'
department:
- _id: MaIb
- _id: LifeSc
doi: 10.1126/science.adk3070
external_id:
  pmid:
  - '37769110'
intvolume: '       381'
issue: '6665'
language:
- iso: eng
month: '09'
oa_version: None
page: 1413-1414
pmid: 1
project:
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: Science
publication_identifier:
  eissn:
  - 1095-9203
publication_status: published
publisher: AAAS
quality_controlled: '1'
scopus_import: '1'
status: public
title: Widening the use of 3D printing
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 381
year: '2023'
...
---
_id: '14434'
abstract:
- lang: eng
  text: High entropy alloys (HEAs) are highly suitable candidate catalysts for oxygen
    evolution and reduction reactions (OER/ORR) as they offer numerous parameters
    for optimizing the electronic structure and catalytic sites. Herein, FeCoNiMoW
    HEA nanoparticles are synthesized using a solution‐based low‐temperature approach.
    Such FeCoNiMoW nanoparticles show high entropy properties, subtle lattice distortions,
    and modulated electronic structure, leading to superior OER performance with an
    overpotential of 233 mV at 10 mA cm<jats:sup>−2</jats:sup> and 276 mV at 100 mA cm<jats:sup>−2</jats:sup>.
    Density functional theory calculations reveal the electronic structures of the
    FeCoNiMoW active sites with an optimized d‐band center position that enables suitable
    adsorption of OOH* intermediates and reduces the Gibbs free energy barrier in
    the OER process. Aqueous zinc–air batteries (ZABs) based on this HEA demonstrate
    a high open circuit potential of 1.59 V, a peak power density of 116.9 mW cm<jats:sup>−2</jats:sup>,
    a specific capacity of 857 mAh g<jats:sub>Zn</jats:sub><jats:sup>−1</jats:sup><jats:sub>,</jats:sub>
    and excellent stability for over 660 h of continuous charge–discharge cycles.
    Flexible and solid ZABs are also assembled and tested, displaying excellent charge–discharge
    performance at different bending angles. This work shows the significance of 4d/5d
    metal‐modulated electronic structure and optimized adsorption ability to improve
    the performance of OER/ORR, ZABs, and beyond.
acknowledged_ssus:
- _id: EM-Fac
acknowledgement: The authors acknowledge funding from Generalitat de Catalunya 2021
  SGR 01581; the project COMBENERGY, PID2019-105490RB-C32, from the Spanish Ministerio
  de Ciencia e Innovación; the National Natural Science Foundation of China (22102002);
  the Anhui Provincial Natural Science Foundation (2108085QE192); Zhejiang Province
  key research and development project (2023C01191); the Foundation of State Key Laboratory
  of High-efficiency Utilization of Coal and Green Chemical Engineering (GrantNo.2022-K31);
  and The Key Research and Development Program of Hebei Province (20314305D). IREC
  is funded by the CERCA Programme from the Generalitat de Catalunya. L.L.Y. thanks
  the China Scholarship Council (CSC) for the scholarship support (202008130132).
  This research was supported by the Scientific Service Units (SSU) of ISTA (Institute
  of Science and Technology Austria) through resources provided by the Electron Microscopy
  Facility (EMF). S.L., S.H., and M.I. acknowledge funding by ISTA and the Werner
  Siemens.
article_number: '2303719'
article_processing_charge: No
article_type: original
author:
- first_name: Ren
  full_name: He, Ren
  last_name: He
- first_name: Linlin
  full_name: Yang, Linlin
  last_name: Yang
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Daochuan
  full_name: Jiang, Daochuan
  last_name: Jiang
- first_name: Seungho
  full_name: Lee, Seungho
  id: BB243B88-D767-11E9-B658-BC13E6697425
  last_name: Lee
  orcid: 0000-0002-6962-8598
- first_name: Sharona
  full_name: Horta, Sharona
  id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc
  last_name: Horta
- first_name: Zhifu
  full_name: Liang, Zhifu
  last_name: Liang
- first_name: Xuan
  full_name: Lu, Xuan
  last_name: Lu
- first_name: Ahmad
  full_name: Ostovari Moghaddam, Ahmad
  last_name: Ostovari Moghaddam
- first_name: Junshan
  full_name: Li, Junshan
  last_name: Li
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Ying
  full_name: Xu, Ying
  last_name: Xu
- first_name: Yingtang
  full_name: Zhou, Yingtang
  last_name: Zhou
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: He R, Yang L, Zhang Y, et al. A 3d‐4d‐5d high entropy alloy as a bifunctional
    oxygen catalyst for robust aqueous zinc–air batteries. <i>Advanced Materials</i>.
    2023. doi:<a href="https://doi.org/10.1002/adma.202303719">10.1002/adma.202303719</a>
  apa: He, R., Yang, L., Zhang, Y., Jiang, D., Lee, S., Horta, S., … Cabot, A. (2023).
    A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous
    zinc–air batteries. <i>Advanced Materials</i>. Wiley. <a href="https://doi.org/10.1002/adma.202303719">https://doi.org/10.1002/adma.202303719</a>
  chicago: He, Ren, Linlin Yang, Yu Zhang, Daochuan Jiang, Seungho Lee, Sharona Horta,
    Zhifu Liang, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst
    for Robust Aqueous Zinc–Air Batteries.” <i>Advanced Materials</i>. Wiley, 2023.
    <a href="https://doi.org/10.1002/adma.202303719">https://doi.org/10.1002/adma.202303719</a>.
  ieee: R. He <i>et al.</i>, “A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen
    catalyst for robust aqueous zinc–air batteries,” <i>Advanced Materials</i>. Wiley,
    2023.
  ista: He R, Yang L, Zhang Y, Jiang D, Lee S, Horta S, Liang Z, Lu X, Ostovari Moghaddam
    A, Li J, Ibáñez M, Xu Y, Zhou Y, Cabot A. 2023. A 3d‐4d‐5d high entropy alloy
    as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced
    Materials., 2303719.
  mla: He, Ren, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst
    for Robust Aqueous Zinc–Air Batteries.” <i>Advanced Materials</i>, 2303719, Wiley,
    2023, doi:<a href="https://doi.org/10.1002/adma.202303719">10.1002/adma.202303719</a>.
  short: R. He, L. Yang, Y. Zhang, D. Jiang, S. Lee, S. Horta, Z. Liang, X. Lu, A.
    Ostovari Moghaddam, J. Li, M. Ibáñez, Y. Xu, Y. Zhou, A. Cabot, Advanced Materials
    (2023).
date_created: 2023-10-17T10:52:23Z
date_published: 2023-07-24T00:00:00Z
date_updated: 2023-12-13T13:03:23Z
day: '24'
department:
- _id: MaIb
doi: 10.1002/adma.202303719
external_id:
  isi:
  - '001083876900001'
  pmid:
  - '37487245'
isi: 1
keyword:
- Mechanical Engineering
- Mechanics of Materials
- General Materials Science
language:
- iso: eng
month: '07'
oa_version: None
pmid: 1
project:
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: Advanced Materials
publication_identifier:
  issn:
  - 0935-9648
  - 1521-4095
publication_status: epub_ahead
publisher: Wiley
quality_controlled: '1'
status: public
title: A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust
  aqueous zinc–air batteries
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
_id: '14734'
abstract:
- lang: eng
  text: Developing cost-effective and high-performance thermoelectric (TE) materials
    to assemble efficient TE devices presents a multitude of challenges and opportunities.
    Cu3SbSe4 is a promising p-type TE material based on relatively earth abundant
    elements. However, the challenge lies in its poor electrical conductivity. Herein,
    an efficient and scalable solution-based approach is developed to synthesize high-quality
    Cu3SbSe4 nanocrystals doped with Pb at the Sb site. After ligand displacement
    and annealing treatments, the dried powders are consolidated into dense pellets,
    and their TE properties are investigated. Pb doping effectively increases the
    charge carrier concentration, resulting in a significant increase in electrical
    conductivity, while the Seebeck coefficients remain consistently high. The calculated
    band structure shows that Pb doping induces band convergence, thereby increasing
    the effective mass. Furthermore, the large ionic radius of Pb2+ results in the
    generation of additional point and plane defects and interphases, dramatically
    enhancing phonon scattering, which significantly decreases the lattice thermal
    conductivity at high temperatures. Overall, a maximum figure of merit (zTmax)
    ≈ 0.85 at 653 K is obtained in Cu3Sb0.97Pb0.03Se4. This represents a 1.6-fold
    increase compared to the undoped sample and exceeds most doped Cu3SbSe4-based
    materials produced by solid-state, demonstrating advantages of versatility and
    cost-effectiveness using a solution-based technology.
acknowledgement: Y.L. acknowledges funding from the National Natural Science Foundation
  of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project
  of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). K.H.L. acknowledges
  financial support from the National Natural Science Foundation of China (NSFC) (Grant
  No. 22208293). M.I. acknowledges financial support from ISTA and the Werner Siemens
  Foundation.
article_processing_charge: No
article_type: original
author:
- first_name: Shanhong
  full_name: Wan, Shanhong
  last_name: Wan
- first_name: Shanshan
  full_name: Xiao, Shanshan
  last_name: Xiao
- first_name: Mingquan
  full_name: Li, Mingquan
  last_name: Li
- first_name: Xin
  full_name: Wang, Xin
  last_name: Wang
- first_name: Khak Ho
  full_name: Lim, Khak Ho
  last_name: Lim
- first_name: Min
  full_name: Hong, Min
  last_name: Hong
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
citation:
  ama: Wan S, Xiao S, Li M, et al. Band engineering through Pb-doping of nanocrystal
    building blocks to enhance thermoelectric performance in Cu3SbSe4. <i>Small Methods</i>.
    2023. doi:<a href="https://doi.org/10.1002/smtd.202301377">10.1002/smtd.202301377</a>
  apa: Wan, S., Xiao, S., Li, M., Wang, X., Lim, K. H., Hong, M., … Liu, Y. (2023).
    Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric
    performance in Cu3SbSe4. <i>Small Methods</i>. Wiley. <a href="https://doi.org/10.1002/smtd.202301377">https://doi.org/10.1002/smtd.202301377</a>
  chicago: Wan, Shanhong, Shanshan Xiao, Mingquan Li, Xin Wang, Khak Ho Lim, Min Hong,
    Maria Ibáñez, Andreu Cabot, and Yu Liu. “Band Engineering through Pb-Doping of
    Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.”
    <i>Small Methods</i>. Wiley, 2023. <a href="https://doi.org/10.1002/smtd.202301377">https://doi.org/10.1002/smtd.202301377</a>.
  ieee: S. Wan <i>et al.</i>, “Band engineering through Pb-doping of nanocrystal building
    blocks to enhance thermoelectric performance in Cu3SbSe4,” <i>Small Methods</i>.
    Wiley, 2023.
  ista: Wan S, Xiao S, Li M, Wang X, Lim KH, Hong M, Ibáñez M, Cabot A, Liu Y. 2023.
    Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric
    performance in Cu3SbSe4. Small Methods.
  mla: Wan, Shanhong, et al. “Band Engineering through Pb-Doping of Nanocrystal Building
    Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.” <i>Small Methods</i>,
    Wiley, 2023, doi:<a href="https://doi.org/10.1002/smtd.202301377">10.1002/smtd.202301377</a>.
  short: S. Wan, S. Xiao, M. Li, X. Wang, K.H. Lim, M. Hong, M. Ibáñez, A. Cabot,
    Y. Liu, Small Methods (2023).
date_created: 2024-01-07T23:00:51Z
date_published: 2023-12-28T00:00:00Z
date_updated: 2024-01-08T09:17:04Z
day: '28'
department:
- _id: MaIb
doi: 10.1002/smtd.202301377
external_id:
  pmid:
  - '38152986'
language:
- iso: eng
month: '12'
oa_version: None
pmid: 1
project:
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: Small Methods
publication_identifier:
  eissn:
  - 2366-9608
publication_status: epub_ahead
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Band engineering through Pb-doping of nanocrystal building blocks to enhance
  thermoelectric performance in Cu3SbSe4
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
_id: '13093'
abstract:
- lang: eng
  text: The direct, solid state, and reversible conversion between heat and electricity
    using thermoelectric devices finds numerous potential uses, especially around
    room temperature. However, the relatively high material processing cost limits
    their real applications. Silver selenide (Ag2Se) is one of the very few n-type
    thermoelectric (TE) materials for room-temperature applications. Herein, we report
    a room temperature, fast, and aqueous-phase synthesis approach to produce Ag2Se,
    which can be extended to other metal chalcogenides. These materials reach TE figures
    of merit (zT) of up to 0.76 at 380 K. To improve these values, bismuth sulfide
    (Bi2S3) particles also prepared in an aqueous solution are incorporated into the
    Ag2Se matrix. In this way, a series of Ag2Se/Bi2S3 composites with Bi2S3 wt %
    of 0.5, 1.0, and 1.5 are prepared by solution blending and hot-press sintering.
    The presence of Bi2S3 significantly improves the Seebeck coefficient and power
    factor while at the same time decreasing the thermal conductivity with no apparent
    drop in electrical conductivity. Thus, a maximum zT value of 0.96 is achieved
    in the composites with 1.0 wt % Bi2S3 at 370 K. Furthermore, a high average zT
    value (zTave) of 0.93 in the 300–390 K range is demonstrated.
acknowledgement: 'Open Access is funded by the Austrian Science Fund (FWF). B.N.,
  M.L., Y.Z., K.X., and X.H. thank the China Scholarship Council (CSC) for the scholarship
  support. C.C. received funding from the FWF “Lise Meitner Fellowship” grant agreement
  M 2889-N. M.I. acknowledges the financial support from ISTA and the Werner Siemens
  Foundation. ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457
  and project NANOGEN (PID2020-116093RB-C43) funded by MCIN/AEI/10.13039/501100011033/.
  ICN2 was supported by the Severo Ochoa program from Spanish MCIN/AEI (Grant No.:
  CEX2021-001214-S) and was funded by the CERCA Programme/Generalitat de Catalunya.
  J.L. is a Serra Húnter Fellow and is grateful to the ICREA Academia program and
  projects MICINN/FEDER PID2021-124572OB-C31 and 2021 SGR 01061. K.H.L. acknowledges
  support from the National Natural Science Foundation of China (22208293). This study
  is part of the Advanced Materials programme and was supported by MCIN with funding
  from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat de Catalunya.'
article_processing_charge: No
article_type: original
author:
- first_name: Bingfei
  full_name: Nan, Bingfei
  last_name: 'Nan'
- first_name: Mengyao
  full_name: Li, Mengyao
  last_name: Li
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Ke
  full_name: Xiao, Ke
  last_name: Xiao
- first_name: Khak Ho
  full_name: Lim, Khak Ho
  last_name: Lim
- first_name: Cheng
  full_name: Chang, Cheng
  id: 9E331C2E-9F27-11E9-AE48-5033E6697425
  last_name: Chang
  orcid: 0000-0002-9515-4277
- first_name: Xu
  full_name: Han, Xu
  last_name: Han
- first_name: Yong
  full_name: Zuo, Yong
  last_name: Zuo
- first_name: Junshan
  full_name: Li, Junshan
  last_name: Li
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Jordi
  full_name: Llorca, Jordi
  last_name: Llorca
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: Nan B, Li M, Zhang Y, et al. Engineering of thermoelectric composites based
    on silver selenide in aqueous solution and ambient temperature. <i>ACS Applied
    Electronic Materials</i>. 2023. doi:<a href="https://doi.org/10.1021/acsaelm.3c00055">10.1021/acsaelm.3c00055</a>
  apa: Nan, B., Li, M., Zhang, Y., Xiao, K., Lim, K. H., Chang, C., … Cabot, A. (2023).
    Engineering of thermoelectric composites based on silver selenide in aqueous solution
    and ambient temperature. <i>ACS Applied Electronic Materials</i>. American Chemical
    Society. <a href="https://doi.org/10.1021/acsaelm.3c00055">https://doi.org/10.1021/acsaelm.3c00055</a>
  chicago: Nan, Bingfei, Mengyao Li, Yu Zhang, Ke Xiao, Khak Ho Lim, Cheng Chang,
    Xu Han, et al. “Engineering of Thermoelectric Composites Based on Silver Selenide
    in Aqueous Solution and Ambient Temperature.” <i>ACS Applied Electronic Materials</i>.
    American Chemical Society, 2023. <a href="https://doi.org/10.1021/acsaelm.3c00055">https://doi.org/10.1021/acsaelm.3c00055</a>.
  ieee: B. Nan <i>et al.</i>, “Engineering of thermoelectric composites based on silver
    selenide in aqueous solution and ambient temperature,” <i>ACS Applied Electronic
    Materials</i>. American Chemical Society, 2023.
  ista: Nan B, Li M, Zhang Y, Xiao K, Lim KH, Chang C, Han X, Zuo Y, Li J, Arbiol
    J, Llorca J, Ibáñez M, Cabot A. 2023. Engineering of thermoelectric composites
    based on silver selenide in aqueous solution and ambient temperature. ACS Applied
    Electronic Materials.
  mla: Nan, Bingfei, et al. “Engineering of Thermoelectric Composites Based on Silver
    Selenide in Aqueous Solution and Ambient Temperature.” <i>ACS Applied Electronic
    Materials</i>, American Chemical Society, 2023, doi:<a href="https://doi.org/10.1021/acsaelm.3c00055">10.1021/acsaelm.3c00055</a>.
  short: B. Nan, M. Li, Y. Zhang, K. Xiao, K.H. Lim, C. Chang, X. Han, Y. Zuo, J.
    Li, J. Arbiol, J. Llorca, M. Ibáñez, A. Cabot, ACS Applied Electronic Materials
    (2023).
date_created: 2023-05-28T22:01:03Z
date_published: 2023-05-05T00:00:00Z
date_updated: 2023-08-01T14:50:48Z
day: '05'
department:
- _id: MaIb
doi: 10.1021/acsaelm.3c00055
external_id:
  isi:
  - '000986859000001'
isi: 1
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1021/acsaelm.3c00055
month: '05'
oa: 1
oa_version: Published Version
project:
- _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A
  grant_number: M02889
  name: Bottom-up Engineering for Thermoelectric Applications
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: ACS Applied Electronic Materials
publication_identifier:
  eissn:
  - 2637-6113
publication_status: epub_ahead
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Engineering of thermoelectric composites based on silver selenide in aqueous
  solution and ambient temperature
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
year: '2023'
...
---
_id: '13235'
abstract:
- lang: eng
  text: AgSbSe2 is a promising thermoelectric (TE) p-type material for applications
    in the middle-temperature range. AgSbSe2 is characterized by relatively low thermal
    conductivities and high Seebeck coefficients, but its main limitation is moderate
    electrical conductivity. Herein, we detail an efficient and scalable hot-injection
    synthesis route to produce AgSbSe2 nanocrystals (NCs). To increase the carrier
    concentration and improve the electrical conductivity, these NCs are doped with
    Sn2+ on Sb3+ sites. Upon processing, the Sn2+ chemical state is conserved using
    a reducing NaBH4 solution to displace the organic ligand and anneal the material
    under a forming gas flow. The TE properties of the dense materials obtained from
    the consolidation of the NCs using a hot pressing are then characterized. The
    presence of Sn2+ ions replacing Sb3+ significantly increases the charge carrier
    concentration and, consequently, the electrical conductivity. Opportunely, the
    measured Seebeck coefficient varied within a small range upon Sn doping. The excellent
    performance obtained when Sn2+ ions are prevented from oxidation is rationalized
    by modeling the system. Calculated band structures disclosed that Sn doping induces
    convergence of the AgSbSe2 valence bands, accounting for an enhanced electronic
    effective mass. The dramatically enhanced carrier transport leads to a maximized
    power factor for AgSb0.98Sn0.02Se2 of 0.63 mW m–1 K–2 at 640 K. Thermally, phonon
    scattering is significantly enhanced in the NC-based materials, yielding an ultralow
    thermal conductivity of 0.3 W mK–1 at 666 K. Overall, a record-high figure of
    merit (zT) is obtained at 666 K for AgSb0.98Sn0.02Se2 at zT = 1.37, well above
    the values obtained for undoped AgSbSe2, at zT = 0.58 and state-of-art Pb- and
    Te-free materials, which makes AgSb0.98Sn0.02Se2 an excellent p-type candidate
    for medium-temperature TE applications.
acknowledgement: Y.L. acknowledges funding from the National Natural Science Foundation
  of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project
  of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). K.H.L. acknowledges
  financial support from the National Natural Science Foundation of China (Grant No.
  22208293). Y.Z. acknowledges support from the SBIR program NanoOhmics. J.L. is grateful
  for the project supported by the Natural Science Foundation of Sichuan (2022NSFSC1229).
  M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation.
article_processing_charge: No
article_type: original
author:
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Mingquan
  full_name: Li, Mingquan
  last_name: Li
- first_name: Shanhong
  full_name: Wan, Shanhong
  last_name: Wan
- first_name: Khak Ho
  full_name: Lim, Khak Ho
  last_name: Lim
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Mengyao
  full_name: Li, Mengyao
  last_name: Li
- first_name: Junshan
  full_name: Li, Junshan
  last_name: Li
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Min
  full_name: Hong, Min
  last_name: Hong
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: 'Liu Y, Li M, Wan S, et al. Surface chemistry and band engineering in AgSbSe₂:
    Toward high thermoelectric performance. <i>ACS Nano</i>. 2023;17(12):11923–11934.
    doi:<a href="https://doi.org/10.1021/acsnano.3c03541">10.1021/acsnano.3c03541</a>'
  apa: 'Liu, Y., Li, M., Wan, S., Lim, K. H., Zhang, Y., Li, M., … Cabot, A. (2023).
    Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric
    performance. <i>ACS Nano</i>. American Chemical Society. <a href="https://doi.org/10.1021/acsnano.3c03541">https://doi.org/10.1021/acsnano.3c03541</a>'
  chicago: 'Liu, Yu, Mingquan Li, Shanhong Wan, Khak Ho Lim, Yu Zhang, Mengyao Li,
    Junshan Li, Maria Ibáñez, Min Hong, and Andreu Cabot. “Surface Chemistry and Band
    Engineering in AgSbSe₂: Toward High Thermoelectric Performance.” <i>ACS Nano</i>.
    American Chemical Society, 2023. <a href="https://doi.org/10.1021/acsnano.3c03541">https://doi.org/10.1021/acsnano.3c03541</a>.'
  ieee: 'Y. Liu <i>et al.</i>, “Surface chemistry and band engineering in AgSbSe₂:
    Toward high thermoelectric performance,” <i>ACS Nano</i>, vol. 17, no. 12. American
    Chemical Society, pp. 11923–11934, 2023.'
  ista: 'Liu Y, Li M, Wan S, Lim KH, Zhang Y, Li M, Li J, Ibáñez M, Hong M, Cabot
    A. 2023. Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric
    performance. ACS Nano. 17(12), 11923–11934.'
  mla: 'Liu, Yu, et al. “Surface Chemistry and Band Engineering in AgSbSe₂: Toward
    High Thermoelectric Performance.” <i>ACS Nano</i>, vol. 17, no. 12, American Chemical
    Society, 2023, pp. 11923–11934, doi:<a href="https://doi.org/10.1021/acsnano.3c03541">10.1021/acsnano.3c03541</a>.'
  short: Y. Liu, M. Li, S. Wan, K.H. Lim, Y. Zhang, M. Li, J. Li, M. Ibáñez, M. Hong,
    A. Cabot, ACS Nano 17 (2023) 11923–11934.
date_created: 2023-07-16T22:01:11Z
date_published: 2023-06-13T00:00:00Z
date_updated: 2023-08-02T06:29:55Z
day: '13'
department:
- _id: MaIb
doi: 10.1021/acsnano.3c03541
external_id:
  isi:
  - '001008564800001'
  pmid:
  - '37310395'
intvolume: '        17'
isi: 1
issue: '12'
language:
- iso: eng
month: '06'
oa_version: None
page: 11923–11934
pmid: 1
project:
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: ACS Nano
publication_identifier:
  eissn:
  - 1936-086X
  issn:
  - 1936-0851
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric
  performance'
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 17
year: '2023'
...
---
_id: '12829'
abstract:
- lang: eng
  text: The deployment of direct formate fuel cells (DFFCs) relies on the development
    of active and stable catalysts for the formate oxidation reaction (FOR). Palladium,
    providing effective full oxidation of formate to CO2, has been widely used as
    FOR catalyst, but it suffers from low stability, moderate activity, and high cost.
    Herein, we detail a colloidal synthesis route for the incorporation of P on Pd2Sn
    nanoparticles. These nanoparticles are dispersed on carbon black and the obtained
    composite is used as electrocatalytic material for the FOR. The Pd2Sn0.8P-based
    electrodes present outstanding catalytic activities with record mass current densities
    up to 10.0 A mgPd-1, well above those of Pd1.6Sn/C reference electrode. These
    high current densities are further enhanced by increasing the temperature from
    25 °C to 40 °C. The Pd2Sn0.8P electrode also allows for slowing down the rapid
    current decay that generally happens during operation and can be rapidly re-activated
    through potential cycling. The excellent catalytic performance obtained is rationalized
    using density functional theory (DFT) calculations.
acknowledgement: 'This work was carried out within the framework of the project Combenergy,
  PID2019-105490RB-C32, financed by the Spanish MCIN/AEI/10.13039/501100011033. ICN2
  is supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S).
  IREC and ICN2 are funded by the CERCA Programme from the Generalitat de Catalunya.
  Part of the present work has been performed in the frameworks of the Universitat
  de Barcelona Nanoscience PhD program. ICN2 acknowledges funding from Generalitat
  de Catalunya 2021SGR00457. This study was supported by MCIN with funding from European
  Union NextGenerationEU (PRTR-C17.I1) and Generalitat de Catalunya. The authors thank
  the support from the project NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/
  and by “ERDF A way of making Europe”, by the European Union. The project on which
  these results are based has received funding from the European Union''s Horizon
  2020 research and innovation programme under Marie Skłodowska-Curie grant agreement
  No. 801342 (Tecniospring INDUSTRY) and the Government of Catalonia''s Agency for
  Business Competitiveness (ACCIÓ). J. Li is grateful for the project supported by
  the Natural Science Foundation of Sichuan (2022NSFSC1229). M.I.  acknowledges funding
  by ISTA and the Werner Siemens Foundation.'
article_number: '117369'
article_processing_charge: No
article_type: original
author:
- first_name: Guillem
  full_name: Montaña-Mora, Guillem
  last_name: Montaña-Mora
- first_name: Xueqiang
  full_name: Qi, Xueqiang
  last_name: Qi
- first_name: Xiang
  full_name: Wang, Xiang
  last_name: Wang
- first_name: Jesus
  full_name: Chacón-Borrero, Jesus
  last_name: Chacón-Borrero
- first_name: Paulina R.
  full_name: Martinez-Alanis, Paulina R.
  last_name: Martinez-Alanis
- first_name: Xiaoting
  full_name: Yu, Xiaoting
  last_name: Yu
- first_name: Junshan
  full_name: Li, Junshan
  last_name: Li
- first_name: Qian
  full_name: Xue, Qian
  last_name: Xue
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: Montaña-Mora G, Qi X, Wang X, et al. Phosphorous incorporation into palladium
    tin nanoparticles for the electrocatalytic formate oxidation reaction. <i>Journal
    of Electroanalytical Chemistry</i>. 2023;936. doi:<a href="https://doi.org/10.1016/j.jelechem.2023.117369">10.1016/j.jelechem.2023.117369</a>
  apa: Montaña-Mora, G., Qi, X., Wang, X., Chacón-Borrero, J., Martinez-Alanis, P.
    R., Yu, X., … Cabot, A. (2023). Phosphorous incorporation into palladium tin nanoparticles
    for the electrocatalytic formate oxidation reaction. <i>Journal of Electroanalytical
    Chemistry</i>. Elsevier. <a href="https://doi.org/10.1016/j.jelechem.2023.117369">https://doi.org/10.1016/j.jelechem.2023.117369</a>
  chicago: Montaña-Mora, Guillem, Xueqiang Qi, Xiang Wang, Jesus Chacón-Borrero, Paulina
    R. Martinez-Alanis, Xiaoting Yu, Junshan Li, et al. “Phosphorous Incorporation
    into Palladium Tin Nanoparticles for the Electrocatalytic Formate Oxidation Reaction.”
    <i>Journal of Electroanalytical Chemistry</i>. Elsevier, 2023. <a href="https://doi.org/10.1016/j.jelechem.2023.117369">https://doi.org/10.1016/j.jelechem.2023.117369</a>.
  ieee: G. Montaña-Mora <i>et al.</i>, “Phosphorous incorporation into palladium tin
    nanoparticles for the electrocatalytic formate oxidation reaction,” <i>Journal
    of Electroanalytical Chemistry</i>, vol. 936. Elsevier, 2023.
  ista: Montaña-Mora G, Qi X, Wang X, Chacón-Borrero J, Martinez-Alanis PR, Yu X,
    Li J, Xue Q, Arbiol J, Ibáñez M, Cabot A. 2023. Phosphorous incorporation into
    palladium tin nanoparticles for the electrocatalytic formate oxidation reaction.
    Journal of Electroanalytical Chemistry. 936, 117369.
  mla: Montaña-Mora, Guillem, et al. “Phosphorous Incorporation into Palladium Tin
    Nanoparticles for the Electrocatalytic Formate Oxidation Reaction.” <i>Journal
    of Electroanalytical Chemistry</i>, vol. 936, 117369, Elsevier, 2023, doi:<a href="https://doi.org/10.1016/j.jelechem.2023.117369">10.1016/j.jelechem.2023.117369</a>.
  short: G. Montaña-Mora, X. Qi, X. Wang, J. Chacón-Borrero, P.R. Martinez-Alanis,
    X. Yu, J. Li, Q. Xue, J. Arbiol, M. Ibáñez, A. Cabot, Journal of Electroanalytical
    Chemistry 936 (2023).
date_created: 2023-04-16T22:01:06Z
date_published: 2023-05-01T00:00:00Z
date_updated: 2023-10-04T11:52:33Z
day: '01'
department:
- _id: MaIb
doi: 10.1016/j.jelechem.2023.117369
external_id:
  isi:
  - '000967060900001'
intvolume: '       936'
isi: 1
language:
- iso: eng
month: '05'
oa_version: None
project:
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: Journal of Electroanalytical Chemistry
publication_identifier:
  issn:
  - 1572-6657
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic
  formate oxidation reaction
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 936
year: '2023'
...
---
_id: '12832'
abstract:
- lang: eng
  text: The development of cost-effective, high-activity and stable bifunctional catalysts
    for the oxygen reduction and evolution reactions (ORR/OER) is essential for zinc–air
    batteries (ZABs) to reach the market. Such catalysts must contain multiple adsorption/reaction
    sites to cope with the high demands of reversible oxygen electrodes. Herein, we
    propose a high entropy alloy (HEA) based on relatively abundant elements as a
    bifunctional ORR/OER catalyst. More specifically, we detail the synthesis of a
    CrMnFeCoNi HEA through a low-temperature solution-based approach. Such HEA displays
    superior OER performance with an overpotential of 265 mV at a current density
    of 10 mA/cm2, and a 37.9 mV/dec Tafel slope, well above the properties of a standard
    commercial catalyst based on RuO2. This high performance is partially explained
    by the presence of twinned defects, the incidence of large lattice distortions,
    and the electronic synergy between the different components, being Cr key to decreasing
    the energy barrier of the OER rate-determining step. CrMnFeCoNi also displays
    superior ORR performance with a half-potential of 0.78 V and an onset potential
    of 0.88 V, comparable with commercial Pt/C. The potential gap (Egap) between the
    OER overpotential and the ORR half-potential of CrMnFeCoNi is just 0.734 V. Taking
    advantage of these outstanding properties, ZABs are assembled using the CrMnFeCoNi
    HEA as air cathode and a zinc foil as the anode. The assembled cells provide an
    open-circuit voltage of 1.489 V, i.e. 90% of its theoretical limit (1.66 V), a
    peak power density of 116.5 mW/cm2, and a specific capacity of 836 mAh/g that
    stays stable for more than 10 days of continuous cycling, i.e. 720 cycles @ 8
    mA/cm2 and 16.6 days of continuous cycling, i.e. 1200 cycles @ 5 mA/cm2.
acknowledged_ssus:
- _id: EM-Fac
acknowledgement: 'The authors thank the support from the project COMBENERGY, PID2019-105490RB-C32,
  from the Spanish Ministerio de Ciencia e Innovación. The authors acknowledge funding
  from Generalitat de Catalunya 2021 SGR 01581 and 2021 SGR 00457. ICN2 acknowledges
  the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706). IREC and
  ICN2 are funded by the CERCA Programme from the Generalitat de Catalunya. ICN2 is
  supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S).
  ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327. This study
  was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1)
  and Generalitat de Catalunya. The authors thank the support from the project NANOGEN
  (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/ and by “ERDF
  A way of making Europe”, by the “European Union”. Part of the present work has been
  performed in the frameworks of Universitat de Barcelona Nanoscience PhD program.
  This research was supported by the Scientific Service Units (SSU) of IST Austria
  through resources provided by Electron Microscopy Facility (EMF). S. Lee. and M.
  Ibáñez acknowledge funding by IST Austria and the Werner Siemens Foundation. J.
  Llorca is a Serra Húnter Fellow and is grateful to ICREA Academia program and projects
  MICINN/FEDER PID2021-124572OB-C31 and GC 2017 SGR 128. L. L.Yang thanks the China
  Scholarship Council (CSC) for the scholarship support (202008130132). Z. F. Liang
  acknowledges funding from MINECO SO-FPT PhD grant (SEV-2013-0295-17-1). J. W. Chen
  and Y. Xu thank the support from The Key Research and Development Program of Hebei
  Province (No. 20314305D) and the cooperative scientific research project of the
  “Chunhui Program” of the Ministry of Education (2018-7). This work was supported
  by the Natural Science Foundation of Sichuan province (NSFSC) and funded by the
  Science and Technology Department of Sichuan Province (2022NSFSC1229).'
article_processing_charge: No
article_type: original
author:
- first_name: Ren
  full_name: He, Ren
  last_name: He
- first_name: Linlin
  full_name: Yang, Linlin
  last_name: Yang
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Xiang
  full_name: Wang, Xiang
  last_name: Wang
- first_name: Seungho
  full_name: Lee, Seungho
  id: BB243B88-D767-11E9-B658-BC13E6697425
  last_name: Lee
  orcid: 0000-0002-6962-8598
- first_name: Ting
  full_name: Zhang, Ting
  last_name: Zhang
- first_name: Lingxiao
  full_name: Li, Lingxiao
  last_name: Li
- first_name: Zhifu
  full_name: Liang, Zhifu
  last_name: Liang
- first_name: Jingwei
  full_name: Chen, Jingwei
  last_name: Chen
- first_name: Junshan
  full_name: Li, Junshan
  last_name: Li
- first_name: Ahmad
  full_name: Ostovari Moghaddam, Ahmad
  last_name: Ostovari Moghaddam
- first_name: Jordi
  full_name: Llorca, Jordi
  last_name: Llorca
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Ying
  full_name: Xu, Ying
  last_name: Xu
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: He R, Yang L, Zhang Y, et al. A CrMnFeCoNi high entropy alloy boosting oxygen
    evolution/reduction reactions and zinc-air battery performance. <i>Energy Storage
    Materials</i>. 2023;58(4):287-298. doi:<a href="https://doi.org/10.1016/j.ensm.2023.03.022">10.1016/j.ensm.2023.03.022</a>
  apa: He, R., Yang, L., Zhang, Y., Wang, X., Lee, S., Zhang, T., … Cabot, A. (2023).
    A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions
    and zinc-air battery performance. <i>Energy Storage Materials</i>. Elsevier. <a
    href="https://doi.org/10.1016/j.ensm.2023.03.022">https://doi.org/10.1016/j.ensm.2023.03.022</a>
  chicago: He, Ren, Linlin Yang, Yu Zhang, Xiang Wang, Seungho Lee, Ting Zhang, Lingxiao
    Li, et al. “A CrMnFeCoNi High Entropy Alloy Boosting Oxygen Evolution/Reduction
    Reactions and Zinc-Air Battery Performance.” <i>Energy Storage Materials</i>.
    Elsevier, 2023. <a href="https://doi.org/10.1016/j.ensm.2023.03.022">https://doi.org/10.1016/j.ensm.2023.03.022</a>.
  ieee: R. He <i>et al.</i>, “A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction
    reactions and zinc-air battery performance,” <i>Energy Storage Materials</i>,
    vol. 58, no. 4. Elsevier, pp. 287–298, 2023.
  ista: He R, Yang L, Zhang Y, Wang X, Lee S, Zhang T, Li L, Liang Z, Chen J, Li J,
    Ostovari Moghaddam A, Llorca J, Ibáñez M, Arbiol J, Xu Y, Cabot A. 2023. A CrMnFeCoNi
    high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air
    battery performance. Energy Storage Materials. 58(4), 287–298.
  mla: He, Ren, et al. “A CrMnFeCoNi High Entropy Alloy Boosting Oxygen Evolution/Reduction
    Reactions and Zinc-Air Battery Performance.” <i>Energy Storage Materials</i>,
    vol. 58, no. 4, Elsevier, 2023, pp. 287–98, doi:<a href="https://doi.org/10.1016/j.ensm.2023.03.022">10.1016/j.ensm.2023.03.022</a>.
  short: R. He, L. Yang, Y. Zhang, X. Wang, S. Lee, T. Zhang, L. Li, Z. Liang, J.
    Chen, J. Li, A. Ostovari Moghaddam, J. Llorca, M. Ibáñez, J. Arbiol, Y. Xu, A.
    Cabot, Energy Storage Materials 58 (2023) 287–298.
date_created: 2023-04-16T22:01:07Z
date_published: 2023-04-01T00:00:00Z
date_updated: 2023-08-01T14:08:02Z
day: '01'
department:
- _id: MaIb
doi: 10.1016/j.ensm.2023.03.022
external_id:
  isi:
  - '000967601700001'
intvolume: '        58'
isi: 1
issue: '4'
language:
- iso: eng
month: '04'
oa_version: None
page: 287-298
project:
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: Energy Storage Materials
publication_identifier:
  eissn:
  - 2405-8297
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions
  and zinc-air battery performance
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 58
year: '2023'
...
---
_id: '10042'
abstract:
- lang: eng
  text: SnSe has emerged as one of the most promising materials for thermoelectric
    energy conversion due to its extraordinary performance in its single-crystal form
    and its low-cost constituent elements. However, to achieve an economic impact,
    the polycrystalline counterpart needs to replicate the performance of the single
    crystal. Herein, we optimize the thermoelectric performance of polycrystalline
    SnSe produced by consolidating solution-processed and surface-engineered SnSe
    particles. In particular, the SnSe particles are coated with CdSe molecular complexes
    that crystallize during the sintering process, forming CdSe nanoparticles. The
    presence of CdSe nanoparticles inhibits SnSe grain growth during the consolidation
    step due to Zener pinning, yielding a material with a high density of grain boundaries.
    Moreover, the resulting SnSe–CdSe nanocomposites present a large number of defects
    at different length scales, which significantly reduce the thermal conductivity.
    The produced SnSe–CdSe nanocomposites exhibit thermoelectric figures of merit
    up to 2.2 at 786 K, which is among the highest reported for solution-processed
    SnSe.
acknowledgement: 'This work was financially supported by IST Austria and the Werner
  Siemens Foundation. Y.L. acknowledges funding from the European Union’s Horizon
  2020 research and innovation program under the Marie Sklodowska-Curie grant agreement
  No. 754411. S.L. and M.C. received funding from the European Union’s Horizon 2020
  research and innovation program under the Marie Skłodowska-Curie Grant Agreement
  No. 665385. J.D. acknowledges funding from the European Union’s Horizon 2020 research
  and innovation program under the Marie Sklodowska-Curie grant agreement no. 665919
  (P-SPHERE) cofunded by Severo Ochoa Programme. C.C. acknowledges funding from the
  FWF “Lise Meitner Fellowship” grant agreement M 2889-N. Y.Y. and O.C.-M. acknowledge
  the financial support from DFG within the project SFB 917: Nanoswitches. M.C.S.
  received funding from the European Union’s Horizon 2020 research and innovation
  programme under the Marie Skłodowska-Curie grant agreement No. 754510 (PROBIST)
  and the Severo Ochoa programme. J.D. received funding from the European Union’s
  Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie
  grant agreement No. 665919 (P-SPHERE) cofunded by Severo Ochoa Programme. The ICN2
  is funded by the CERCA Program/Generalitat de Catalunya and by the Severo Ochoa
  program of the Spanish Ministry of Economy, Industry, and Competitiveness (MINECO,
  grant no. SEV-2017-0706). ICN2 acknowledges funding from Generalitat de Catalunya
  2017 SGR 327 and the Spanish MINECO project NANOGEN (PID2020-116093RB-C43). This
  project received funding from the European Union’s Horizon 2020 research and innovation
  program under grant agreement No. 823717-ESTEEM3. The FIB sample preparation was
  conducted in the LMA-INA-Universidad de Zaragoza.'
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Mariano
  full_name: Calcabrini, Mariano
  id: 45D7531A-F248-11E8-B48F-1D18A9856A87
  last_name: Calcabrini
- first_name: Yuan
  full_name: Yu, Yuan
  last_name: Yu
- first_name: Seungho
  full_name: Lee, Seungho
  id: BB243B88-D767-11E9-B658-BC13E6697425
  last_name: Lee
  orcid: 0000-0002-6962-8598
- first_name: Cheng
  full_name: Chang, Cheng
  id: 9E331C2E-9F27-11E9-AE48-5033E6697425
  last_name: Chang
  orcid: 0000-0002-9515-4277
- first_name: Jérémy
  full_name: David, Jérémy
  last_name: David
- first_name: Tanmoy
  full_name: Ghosh, Tanmoy
  id: a5fc9bc3-feff-11ea-93fe-e8015a3c7e9d
  last_name: Ghosh
- first_name: Maria Chiara
  full_name: Spadaro, Maria Chiara
  last_name: Spadaro
- first_name: Chenyang
  full_name: Xie, Chenyang
  last_name: Xie
- first_name: Oana
  full_name: Cojocaru-Mirédin, Oana
  last_name: Cojocaru-Mirédin
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
citation:
  ama: Liu Y, Calcabrini M, Yu Y, et al. Defect engineering in solution-processed
    polycrystalline SnSe leads to high thermoelectric performance. <i>ACS Nano</i>.
    2022;16(1):78-88. doi:<a href="https://doi.org/10.1021/acsnano.1c06720">10.1021/acsnano.1c06720</a>
  apa: Liu, Y., Calcabrini, M., Yu, Y., Lee, S., Chang, C., David, J., … Ibáñez, M.
    (2022). Defect engineering in solution-processed polycrystalline SnSe leads to
    high thermoelectric performance. <i>ACS Nano</i>. American Chemical Society .
    <a href="https://doi.org/10.1021/acsnano.1c06720">https://doi.org/10.1021/acsnano.1c06720</a>
  chicago: Liu, Yu, Mariano Calcabrini, Yuan Yu, Seungho Lee, Cheng Chang, Jérémy
    David, Tanmoy Ghosh, et al. “Defect Engineering in Solution-Processed Polycrystalline
    SnSe Leads to High Thermoelectric Performance.” <i>ACS Nano</i>. American Chemical
    Society , 2022. <a href="https://doi.org/10.1021/acsnano.1c06720">https://doi.org/10.1021/acsnano.1c06720</a>.
  ieee: Y. Liu <i>et al.</i>, “Defect engineering in solution-processed polycrystalline
    SnSe leads to high thermoelectric performance,” <i>ACS Nano</i>, vol. 16, no.
    1. American Chemical Society , pp. 78–88, 2022.
  ista: Liu Y, Calcabrini M, Yu Y, Lee S, Chang C, David J, Ghosh T, Spadaro MC, Xie
    C, Cojocaru-Mirédin O, Arbiol J, Ibáñez M. 2022. Defect engineering in solution-processed
    polycrystalline SnSe leads to high thermoelectric performance. ACS Nano. 16(1),
    78–88.
  mla: Liu, Yu, et al. “Defect Engineering in Solution-Processed Polycrystalline SnSe
    Leads to High Thermoelectric Performance.” <i>ACS Nano</i>, vol. 16, no. 1, American
    Chemical Society , 2022, pp. 78–88, doi:<a href="https://doi.org/10.1021/acsnano.1c06720">10.1021/acsnano.1c06720</a>.
  short: Y. Liu, M. Calcabrini, Y. Yu, S. Lee, C. Chang, J. David, T. Ghosh, M.C.
    Spadaro, C. Xie, O. Cojocaru-Mirédin, J. Arbiol, M. Ibáñez, ACS Nano 16 (2022)
    78–88.
date_created: 2021-09-24T07:55:12Z
date_published: 2022-01-25T00:00:00Z
date_updated: 2023-08-02T14:41:05Z
day: '25'
ddc:
- '540'
department:
- _id: MaIb
doi: 10.1021/acsnano.1c06720
ec_funded: 1
external_id:
  isi:
  - '000767223400008'
  pmid:
  - '34549956'
file:
- access_level: open_access
  checksum: 74f9c1aa5f95c0b992a4328e8e0247b4
  content_type: application/pdf
  creator: cchlebak
  date_created: 2022-03-02T16:17:29Z
  date_updated: 2022-03-02T16:17:29Z
  file_id: '10808'
  file_name: 2022_ACSNano_Liu.pdf
  file_size: 9050764
  relation: main_file
  success: 1
file_date_updated: 2022-03-02T16:17:29Z
has_accepted_license: '1'
intvolume: '        16'
isi: 1
issue: '1'
keyword:
- tin selenide
- nanocomposite
- grain growth
- Zener pinning
- thermoelectricity
- annealing
- solution processing
language:
- iso: eng
month: '01'
oa: 1
oa_version: Published Version
page: 78-88
pmid: 1
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: 2564DBCA-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '665385'
  name: International IST Doctoral Program
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
- _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A
  grant_number: M02889
  name: Bottom-up Engineering for Thermoelectric Applications
publication: ACS Nano
publication_identifier:
  eissn:
  - 1936-086X
  issn:
  - 1936-0851
publication_status: published
publisher: 'American Chemical Society '
quality_controlled: '1'
related_material:
  record:
  - id: '12885'
    relation: dissertation_contains
    status: public
scopus_import: '1'
status: public
title: Defect engineering in solution-processed polycrystalline SnSe leads to high
  thermoelectric performance
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 16
year: '2022'
...
---
_id: '10566'
abstract:
- lang: eng
  text: A versatile, scalable, room temperature and surfactant-free route for the
    synthesis of metal chalcogenide nanoparticles in aqueous solution is detailed
    here for the production of PbS and Cu-doped PbS nanoparticles. Subsequently, nanoparticles
    are annealed in a reducing atmosphere to remove surface oxide, and consolidated
    into dense polycrystalline materials by means of spark plasma sintering. By characterizing
    the transport properties of the sintered material, we observe the annealing step
    and the incorporation of Cu to play a key role in promoting the thermoelectric
    performance of PbS. The presence of Cu allows improving the electrical conductivity
    by increasing the charge carrier concentration and simultaneously maintaining
    a large charge carrier mobility, which overall translates into record power factors
    at ambient temperature, 2.3 mWm-1K−2. Simultaneously, the lattice thermal conductivity
    decreases with the introduction of Cu, leading to a record high ZT = 0.37 at room
    temperature and ZT = 1.22 at 773 K. Besides, a record average ZTave = 0.76 is
    demonstrated in the temperature range 320–773 K for n-type Pb0.955Cu0.045S.
acknowledgement: This work was supported by the European Regional Development Funds.
  MYL, YZ, DWY and KX thank the China Scholarship Council for scholarship support.
  YL acknowledges funding from the European Union's Horizon 2020 research and innovation
  program under the Marie Sklodowska-Curie grant agreement No. 754411 and the funding
  for scientific research startup of Hefei University of Technology (No. 13020-03712021049).
  MI acknowledges funding from IST Austria and the Werner Siemens Foundation. CC acknowledges
  funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. TZ has
  received funding from the CSC-UAB PhD scholarship program. ICN2 acknowledges funding
  from Generalitat de Catalunya 2017 SGR 327. ICN2 thanks support from the project
  NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/. ICN2
  is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706)
  and is funded by the CERCA Programme / Generalitat de Catalunya. Part of the present
  work has been performed in the framework of Universitat Autònoma de Barcelona Materials
  Science PhD program.
article_number: '133837'
article_processing_charge: No
article_type: original
author:
- first_name: Mengyao
  full_name: Li, Mengyao
  last_name: Li
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Cheng
  full_name: Chang, Cheng
  id: 9E331C2E-9F27-11E9-AE48-5033E6697425
  last_name: Chang
  orcid: 0000-0002-9515-4277
- first_name: Ting
  full_name: Zhang, Ting
  last_name: Zhang
- first_name: Dawei
  full_name: Yang, Dawei
  last_name: Yang
- first_name: Ke
  full_name: Xiao, Ke
  last_name: Xiao
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: Li M, Liu Y, Zhang Y, et al. Room temperature aqueous-based synthesis of copper-doped
    lead sulfide nanoparticles for thermoelectric application. <i>Chemical Engineering
    Journal</i>. 2022;433. doi:<a href="https://doi.org/10.1016/j.cej.2021.133837">10.1016/j.cej.2021.133837</a>
  apa: Li, M., Liu, Y., Zhang, Y., Chang, C., Zhang, T., Yang, D., … Cabot, A. (2022).
    Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles
    for thermoelectric application. <i>Chemical Engineering Journal</i>. Elsevier.
    <a href="https://doi.org/10.1016/j.cej.2021.133837">https://doi.org/10.1016/j.cej.2021.133837</a>
  chicago: Li, Mengyao, Yu Liu, Yu Zhang, Cheng Chang, Ting Zhang, Dawei Yang, Ke
    Xiao, Jordi Arbiol, Maria Ibáñez, and Andreu Cabot. “Room Temperature Aqueous-Based
    Synthesis of Copper-Doped Lead Sulfide Nanoparticles for Thermoelectric Application.”
    <i>Chemical Engineering Journal</i>. Elsevier, 2022. <a href="https://doi.org/10.1016/j.cej.2021.133837">https://doi.org/10.1016/j.cej.2021.133837</a>.
  ieee: M. Li <i>et al.</i>, “Room temperature aqueous-based synthesis of copper-doped
    lead sulfide nanoparticles for thermoelectric application,” <i>Chemical Engineering
    Journal</i>, vol. 433. Elsevier, 2022.
  ista: Li M, Liu Y, Zhang Y, Chang C, Zhang T, Yang D, Xiao K, Arbiol J, Ibáñez M,
    Cabot A. 2022. Room temperature aqueous-based synthesis of copper-doped lead sulfide
    nanoparticles for thermoelectric application. Chemical Engineering Journal. 433,
    133837.
  mla: Li, Mengyao, et al. “Room Temperature Aqueous-Based Synthesis of Copper-Doped
    Lead Sulfide Nanoparticles for Thermoelectric Application.” <i>Chemical Engineering
    Journal</i>, vol. 433, 133837, Elsevier, 2022, doi:<a href="https://doi.org/10.1016/j.cej.2021.133837">10.1016/j.cej.2021.133837</a>.
  short: M. Li, Y. Liu, Y. Zhang, C. Chang, T. Zhang, D. Yang, K. Xiao, J. Arbiol,
    M. Ibáñez, A. Cabot, Chemical Engineering Journal 433 (2022).
date_created: 2021-12-19T23:01:33Z
date_published: 2022-04-01T00:00:00Z
date_updated: 2023-10-03T10:14:34Z
day: '01'
department:
- _id: MaIb
doi: 10.1016/j.cej.2021.133837
ec_funded: 1
external_id:
  isi:
  - '000773425200006'
intvolume: '       433'
isi: 1
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://ddd.uab.cat/pub/artpub/2022/270830/10.1016j.cej.2021.133837.pdf
month: '04'
oa: 1
oa_version: Submitted Version
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A
  grant_number: M02889
  name: Bottom-up Engineering for Thermoelectric Applications
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: Chemical Engineering Journal
publication_identifier:
  issn:
  - 1385-8947
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles
  for thermoelectric application
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 433
year: '2022'
...
---
_id: '10806'
abstract:
- lang: eng
  text: Ligands are a fundamental part of nanocrystals. They control and direct nanocrystal
    syntheses and provide colloidal stability. Bound ligands also affect the nanocrystals’
    chemical reactivity and electronic structure. Surface chemistry is thus crucial
    to understand nanocrystal properties and functionality. Here, we investigate the
    synthesis of metal oxide nanocrystals (CeO2-x, ZnO, and NiO) from metal nitrate
    precursors, in the presence of oleylamine ligands. Surprisingly, the nanocrystals
    are capped exclusively with a fatty acid instead of oleylamine. Analysis of the
    reaction mixtures with nuclear magnetic resonance spectroscopy revealed several
    reaction byproducts and intermediates that are common to the decomposition of
    Ce, Zn, Ni, and Zr nitrate precursors. Our evidence supports the oxidation of
    alkylamine and formation of a carboxylic acid, thus unraveling this counterintuitive
    surface chemistry.
acknowledgement: 'This work was financially supported by IST Austria and the Werner
  Siemens Foundation. M.C. has received funding from the European Union’s Horizon
  2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement
  No. 665385. The work was also financially supported by University of Basel, SNSF
  NCCR Molecular Systems Engineering (project number: 182895) and SNSF R’equip (project
  number: 189622). J.L. is a Serra Húnter Fellow and is grateful to ICREA Academia
  program and MICINN/FEDER RTI2018-093996-B-C31 and GC 2017 SGR 128 projects.'
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Mariano
  full_name: Calcabrini, Mariano
  id: 45D7531A-F248-11E8-B48F-1D18A9856A87
  last_name: Calcabrini
- first_name: Dietger
  full_name: Van den Eynden, Dietger
  last_name: Van den Eynden
- first_name: Sergi
  full_name: Sanchez Ribot, Sergi
  id: ddae5a59-f6e0-11ea-865d-d9dc61e77a2a
  last_name: Sanchez Ribot
- first_name: Rohan
  full_name: Pokratath, Rohan
  last_name: Pokratath
- first_name: Jordi
  full_name: Llorca, Jordi
  last_name: Llorca
- first_name: Jonathan
  full_name: De Roo, Jonathan
  last_name: De Roo
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
citation:
  ama: 'Calcabrini M, Van den Eynden D, Sanchez Ribot S, et al. Ligand conversion
    in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate.
    <i>JACS Au</i>. 2021;1(11):1898-1903. doi:<a href="https://doi.org/10.1021/jacsau.1c00349">10.1021/jacsau.1c00349</a>'
  apa: 'Calcabrini, M., Van den Eynden, D., Sanchez Ribot, S., Pokratath, R., Llorca,
    J., De Roo, J., &#38; Ibáñez, M. (2021). Ligand conversion in nanocrystal synthesis:
    The oxidation of alkylamines to fatty acids by nitrate. <i>JACS Au</i>. American
    Chemical Society. <a href="https://doi.org/10.1021/jacsau.1c00349">https://doi.org/10.1021/jacsau.1c00349</a>'
  chicago: 'Calcabrini, Mariano, Dietger Van den Eynden, Sergi Sanchez Ribot, Rohan
    Pokratath, Jordi Llorca, Jonathan De Roo, and Maria Ibáñez. “Ligand Conversion
    in Nanocrystal Synthesis: The Oxidation of Alkylamines to Fatty Acids by Nitrate.”
    <i>JACS Au</i>. American Chemical Society, 2021. <a href="https://doi.org/10.1021/jacsau.1c00349">https://doi.org/10.1021/jacsau.1c00349</a>.'
  ieee: 'M. Calcabrini <i>et al.</i>, “Ligand conversion in nanocrystal synthesis:
    The oxidation of alkylamines to fatty acids by nitrate,” <i>JACS Au</i>, vol.
    1, no. 11. American Chemical Society, pp. 1898–1903, 2021.'
  ista: 'Calcabrini M, Van den Eynden D, Sanchez Ribot S, Pokratath R, Llorca J, De
    Roo J, Ibáñez M. 2021. Ligand conversion in nanocrystal synthesis: The oxidation
    of alkylamines to fatty acids by nitrate. JACS Au. 1(11), 1898–1903.'
  mla: 'Calcabrini, Mariano, et al. “Ligand Conversion in Nanocrystal Synthesis: The
    Oxidation of Alkylamines to Fatty Acids by Nitrate.” <i>JACS Au</i>, vol. 1, no.
    11, American Chemical Society, 2021, pp. 1898–903, doi:<a href="https://doi.org/10.1021/jacsau.1c00349">10.1021/jacsau.1c00349</a>.'
  short: M. Calcabrini, D. Van den Eynden, S. Sanchez Ribot, R. Pokratath, J. Llorca,
    J. De Roo, M. Ibáñez, JACS Au 1 (2021) 1898–1903.
date_created: 2022-03-02T15:24:16Z
date_published: 2021-11-22T00:00:00Z
date_updated: 2023-05-05T08:45:36Z
day: '22'
ddc:
- '540'
department:
- _id: MaIb
doi: 10.1021/jacsau.1c00349
ec_funded: 1
file:
- access_level: open_access
  checksum: 1c66a35369e911312a359111420318a9
  content_type: application/pdf
  creator: cchlebak
  date_created: 2022-03-02T15:33:18Z
  date_updated: 2022-03-02T15:33:18Z
  file_id: '10807'
  file_name: 2021_JACSAu_Calcabrini.pdf
  file_size: 1257973
  relation: main_file
  success: 1
file_date_updated: 2022-03-02T15:33:18Z
has_accepted_license: '1'
intvolume: '         1'
issue: '11'
keyword:
- general medicine
language:
- iso: eng
month: '11'
oa: 1
oa_version: Published Version
page: 1898-1903
project:
- _id: 2564DBCA-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '665385'
  name: International IST Doctoral Program
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
- _id: B67AFEDC-15C9-11EA-A837-991A96BB2854
  name: IST Austria Open Access Fund
publication: JACS Au
publication_identifier:
  eissn:
  - 2691-3704
  issn:
  - 2691-3704
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
related_material:
  link:
  - relation: earlier_version
    url: https://doi.org/10.26434/chemrxiv-2021-cn2fr
  record:
  - id: '12885'
    relation: dissertation_contains
    status: public
status: public
title: 'Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to
  fatty acids by nitrate'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 1
year: '2021'
...
---
_id: '10123'
abstract:
- lang: eng
  text: Solution synthesis of particles emerged as an alternative to prepare thermoelectric
    materials with less demanding processing conditions than conventional solid-state
    synthetic methods. However, solution synthesis generally involves the presence
    of additional molecules or ions belonging to the precursors or added to enable
    solubility and/or regulate nucleation and growth. These molecules or ions can
    end up in the particles as surface adsorbates and interfere in the material properties.
    This work demonstrates that ionic adsorbates, in particular Na⁺ ions, are electrostatically
    adsorbed in SnSe particles synthesized in water and play a crucial role not only
    in directing the material nano/microstructure but also in determining the transport
    properties of the consolidated material. In dense pellets prepared by sintering
    SnSe particles, Na remains within the crystal lattice as dopant, in dislocations,
    precipitates, and forming grain boundary complexions. These results highlight
    the importance of considering all the possible unintentional impurities to establish
    proper structure-property relationships and control material properties in solution-processed
    thermoelectric materials.
acknowledged_ssus:
- _id: EM-Fac
- _id: NanoFab
acknowledgement: 'Y.L. and M.C. contributed equally to this work. This research was
  supported by the Scientific Service Units (SSU) of IST Austria through resources
  provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility
  (NNF). This work was financially supported by IST Austria and the Werner Siemens
  Foundation. Y.L. acknowledges funding from the European Union''s Horizon 2020 research
  and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411.
  M.C. has received funding from the European Union''s Horizon 2020 research and innovation
  program under the Marie Skłodowska-Curie Grant Agreement No. 665385. Y.Y. and O.C.-M.
  acknowledge the financial support from DFG within the project SFB 917: Nanoswitches.
  J.L. is a Serra Húnter Fellow and is grateful to ICREA Academia program. C.C. acknowledges
  funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N.'
article_number: '2106858'
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Mariano
  full_name: Calcabrini, Mariano
  id: 45D7531A-F248-11E8-B48F-1D18A9856A87
  last_name: Calcabrini
  orcid: 0000-0003-4566-5877
- first_name: Yuan
  full_name: Yu, Yuan
  last_name: Yu
- first_name: Aziz
  full_name: Genç, Aziz
  last_name: Genç
- first_name: Cheng
  full_name: Chang, Cheng
  id: 9E331C2E-9F27-11E9-AE48-5033E6697425
  last_name: Chang
  orcid: 0000-0002-9515-4277
- first_name: Tommaso
  full_name: Costanzo, Tommaso
  id: D93824F4-D9BA-11E9-BB12-F207E6697425
  last_name: Costanzo
  orcid: 0000-0001-9732-3815
- first_name: Tobias
  full_name: Kleinhanns, Tobias
  id: 8BD9DE16-AB3C-11E9-9C8C-2A03E6697425
  last_name: Kleinhanns
- first_name: Seungho
  full_name: Lee, Seungho
  id: BB243B88-D767-11E9-B658-BC13E6697425
  last_name: Lee
  orcid: 0000-0002-6962-8598
- first_name: Jordi
  full_name: Llorca, Jordi
  last_name: Llorca
- first_name: Oana
  full_name: Cojocaru‐Mirédin, Oana
  last_name: Cojocaru‐Mirédin
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
citation:
  ama: 'Liu Y, Calcabrini M, Yu Y, et al. The importance of surface adsorbates in
    solution‐processed thermoelectric materials: The case of SnSe. <i>Advanced Materials</i>.
    2021;33(52). doi:<a href="https://doi.org/10.1002/adma.202106858">10.1002/adma.202106858</a>'
  apa: 'Liu, Y., Calcabrini, M., Yu, Y., Genç, A., Chang, C., Costanzo, T., … Ibáñez,
    M. (2021). The importance of surface adsorbates in solution‐processed thermoelectric
    materials: The case of SnSe. <i>Advanced Materials</i>. Wiley. <a href="https://doi.org/10.1002/adma.202106858">https://doi.org/10.1002/adma.202106858</a>'
  chicago: 'Liu, Yu, Mariano Calcabrini, Yuan Yu, Aziz Genç, Cheng Chang, Tommaso
    Costanzo, Tobias Kleinhanns, et al. “The Importance of Surface Adsorbates in Solution‐processed
    Thermoelectric Materials: The Case of SnSe.” <i>Advanced Materials</i>. Wiley,
    2021. <a href="https://doi.org/10.1002/adma.202106858">https://doi.org/10.1002/adma.202106858</a>.'
  ieee: 'Y. Liu <i>et al.</i>, “The importance of surface adsorbates in solution‐processed
    thermoelectric materials: The case of SnSe,” <i>Advanced Materials</i>, vol. 33,
    no. 52. Wiley, 2021.'
  ista: 'Liu Y, Calcabrini M, Yu Y, Genç A, Chang C, Costanzo T, Kleinhanns T, Lee
    S, Llorca J, Cojocaru‐Mirédin O, Ibáñez M. 2021. The importance of surface adsorbates
    in solution‐processed thermoelectric materials: The case of SnSe. Advanced Materials.
    33(52), 2106858.'
  mla: 'Liu, Yu, et al. “The Importance of Surface Adsorbates in Solution‐processed
    Thermoelectric Materials: The Case of SnSe.” <i>Advanced Materials</i>, vol. 33,
    no. 52, 2106858, Wiley, 2021, doi:<a href="https://doi.org/10.1002/adma.202106858">10.1002/adma.202106858</a>.'
  short: Y. Liu, M. Calcabrini, Y. Yu, A. Genç, C. Chang, T. Costanzo, T. Kleinhanns,
    S. Lee, J. Llorca, O. Cojocaru‐Mirédin, M. Ibáñez, Advanced Materials 33 (2021).
date_created: 2021-10-11T20:07:24Z
date_published: 2021-12-29T00:00:00Z
date_updated: 2023-08-14T07:25:27Z
day: '29'
ddc:
- '620'
department:
- _id: EM-Fac
- _id: MaIb
doi: 10.1002/adma.202106858
ec_funded: 1
external_id:
  isi:
  - '000709899300001'
  pmid:
  - '34626034'
file:
- access_level: open_access
  checksum: 990bccc527c64d85cf1c97885110b5f4
  content_type: application/pdf
  creator: cchlebak
  date_created: 2022-02-03T13:16:14Z
  date_updated: 2022-02-03T13:16:14Z
  file_id: '10720'
  file_name: 2021_AdvancedMaterials_Liu.pdf
  file_size: 5595666
  relation: main_file
  success: 1
file_date_updated: 2022-02-03T13:16:14Z
has_accepted_license: '1'
intvolume: '        33'
isi: 1
issue: '52'
keyword:
- mechanical engineering
- mechanics of materials
- general materials science
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: 2564DBCA-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '665385'
  name: International IST Doctoral Program
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A
  grant_number: M02889
  name: Bottom-up Engineering for Thermoelectric Applications
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: Advanced Materials
publication_identifier:
  eissn:
  - 1521-4095
  issn:
  - 0935-9648
publication_status: published
publisher: Wiley
quality_controlled: '1'
related_material:
  record:
  - id: '12885'
    relation: dissertation_contains
    status: public
scopus_import: '1'
status: public
title: 'The importance of surface adsorbates in solution‐processed thermoelectric
  materials: The case of SnSe'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 33
year: '2021'
...
---
_id: '10327'
abstract:
- lang: eng
  text: Composite materials offer numerous advantages in a wide range of applications,
    including thermoelectrics. Here, semiconductor–metal composites are produced by
    just blending nanoparticles of a sulfide semiconductor obtained in aqueous solution
    and at room temperature with a metallic Cu powder. The obtained blend is annealed
    in a reducing atmosphere and afterward consolidated into dense polycrystalline
    pellets through spark plasma sintering (SPS). We observe that, during the annealing
    process, the presence of metallic copper activates a partial reduction of the
    PbS, resulting in the formation of PbS–Pb–CuxS composites. The presence of metallic
    lead during the SPS process habilitates the liquid-phase sintering of the composite.
    Besides, by comparing the transport properties of PbS, the PbS–Pb–CuxS composites,
    and PbS–CuxS composites obtained by blending PbS and CuxS nanoparticles, we demonstrate
    that the presence of metallic lead decisively contributes to a strong increase
    of the charge carrier concentration through spillover of charge carriers enabled
    by the low work function of lead. The increase in charge carrier concentration
    translates into much higher electrical conductivities and moderately lower Seebeck
    coefficients. These properties translate into power factors up to 2.1 mW m–1 K–2
    at ambient temperature, well above those of PbS and PbS + CuxS. Additionally,
    the presence of multiple phases in the final composite results in a notable decrease
    in the lattice thermal conductivity. Overall, the introduction of metallic copper
    in the initial blend results in a significant improvement of the thermoelectric
    performance of PbS, reaching a dimensionless thermoelectric figure of merit ZT
    = 1.1 at 750 K, which represents about a 400% increase over bare PbS. Besides,
    an average ZTave = 0.72 in the temperature range 320–773 K is demonstrated.
acknowledgement: This work was supported by the European Regional Development Funds.
  M.L., Y.Z., X.H., and K.X. thank the China Scholarship Council for scholarship support.
  M. I. has been financially supported by IST Austria and the Werner Siemens Foundation.
  Y.L. acknowledges funding from the European Union’s Horizon 2020 research and innovation
  program under the Marie Sklodowska-Curie grant agreement No. 754411. J.L. is a Serra
  Húnter fellow and is grateful to ICREA Academia program and projects MICINN/FEDER
  RTI2018-093996-B-C31 and GC 2017 SGR 128. ICN2 acknowledges funding from Generalitat
  de Catalunya 2017 SGR 327 and the Spanish MINECO project NANOGEN (PID2020-116093RB-C43).
  ICN2 was supported by the Severo Ochoa program from Spanish MINECO (grant no. SEV-2017-0706)
  and was funded by the CERCA Programme/Generalitat de Catalunya. X.H. thanks China
  Scholarship Council for scholarship support (201804910551). Part of the present
  work was performed in the framework of Universitat Autònoma de Barcelona Materials
  Science Ph.D. program.
article_processing_charge: No
article_type: original
author:
- first_name: Mengyao
  full_name: Li, Mengyao
  last_name: Li
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Xu
  full_name: Han, Xu
  last_name: Han
- first_name: Ke
  full_name: Xiao, Ke
  last_name: Xiao
- first_name: Mehran
  full_name: Nabahat, Mehran
  last_name: Nabahat
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Jordi
  full_name: Llorca, Jordi
  last_name: Llorca
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: Li M, Liu Y, Zhang Y, et al. PbS–Pb–CuxS composites for thermoelectric application.
    <i>ACS Applied Materials and Interfaces</i>. 2021;13(43):51373–51382. doi:<a href="https://doi.org/10.1021/acsami.1c15609">10.1021/acsami.1c15609</a>
  apa: Li, M., Liu, Y., Zhang, Y., Han, X., Xiao, K., Nabahat, M., … Cabot, A. (2021).
    PbS–Pb–CuxS composites for thermoelectric application. <i>ACS Applied Materials
    and Interfaces</i>. American Chemical Society . <a href="https://doi.org/10.1021/acsami.1c15609">https://doi.org/10.1021/acsami.1c15609</a>
  chicago: Li, Mengyao, Yu Liu, Yu Zhang, Xu Han, Ke Xiao, Mehran Nabahat, Jordi Arbiol,
    Jordi Llorca, Maria Ibáñez, and Andreu Cabot. “PbS–Pb–CuxS Composites for Thermoelectric
    Application.” <i>ACS Applied Materials and Interfaces</i>. American Chemical Society
    , 2021. <a href="https://doi.org/10.1021/acsami.1c15609">https://doi.org/10.1021/acsami.1c15609</a>.
  ieee: M. Li <i>et al.</i>, “PbS–Pb–CuxS composites for thermoelectric application,”
    <i>ACS Applied Materials and Interfaces</i>, vol. 13, no. 43. American Chemical
    Society , pp. 51373–51382, 2021.
  ista: Li M, Liu Y, Zhang Y, Han X, Xiao K, Nabahat M, Arbiol J, Llorca J, Ibáñez
    M, Cabot A. 2021. PbS–Pb–CuxS composites for thermoelectric application. ACS Applied
    Materials and Interfaces. 13(43), 51373–51382.
  mla: Li, Mengyao, et al. “PbS–Pb–CuxS Composites for Thermoelectric Application.”
    <i>ACS Applied Materials and Interfaces</i>, vol. 13, no. 43, American Chemical
    Society , 2021, pp. 51373–51382, doi:<a href="https://doi.org/10.1021/acsami.1c15609">10.1021/acsami.1c15609</a>.
  short: M. Li, Y. Liu, Y. Zhang, X. Han, K. Xiao, M. Nabahat, J. Arbiol, J. Llorca,
    M. Ibáñez, A. Cabot, ACS Applied Materials and Interfaces 13 (2021) 51373–51382.
date_created: 2021-11-21T23:01:30Z
date_published: 2021-10-19T00:00:00Z
date_updated: 2023-10-03T09:55:33Z
day: '19'
department:
- _id: MaIb
doi: 10.1021/acsami.1c15609
ec_funded: 1
external_id:
  isi:
  - '000715852100070'
  pmid:
  - '34665616'
intvolume: '        13'
isi: 1
issue: '43'
keyword:
- CuxS
- PbS
- energy conversion
- nanocomposite
- nanoparticle
- solution synthesis
- thermoelectric
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://upcommons.upc.edu/bitstream/2117/363528/1/Pb%20mengyao.pdf
month: '10'
oa: 1
oa_version: Submitted Version
page: 51373–51382
pmid: 1
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
  name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
    Semiconductors for Waste Heat Recovery'
publication: ACS Applied Materials and Interfaces
publication_identifier:
  eissn:
  - 1944-8252
  issn:
  - 1944-8244
publication_status: published
publisher: 'American Chemical Society '
quality_controlled: '1'
scopus_import: '1'
status: public
title: PbS–Pb–CuxS composites for thermoelectric application
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 13
year: '2021'
...
