---
_id: '9305'
abstract:
- lang: eng
  text: Copper chalcogenides are outstanding thermoelectric materials for applications
    in the medium-high temperature range. Among different chalcogenides, while Cu2−xSe
    is characterized by higher thermoelectric figures of merit, Cu2−xS provides advantages
    in terms of low cost and element abundance. In the present work, we investigate
    the effect of different dopants to enhance the Cu2−xS performance and also its
    thermal stability. Among the tested options, Pb-doped Cu2−xS shows the highest
    improvement in stability against sulfur volatilization. Additionally, Pb incorporation
    allows tuning charge carrier concentration, which enables a significant improvement
    of the power factor. We demonstrate here that the introduction of an optimal additive
    amount of just 0.3% results in a threefold increase of the power factor in the
    middle-temperature range (500–800 K) and a record dimensionless thermoelectric
    figure of merit above 2 at 880 K.
acknowledgement: This work was supported by the European Regional Development Fund
  and by the Spanish Ministerio de Economía y Competitividad through the project SEHTOP
  (ENE2016-77798-C4-3-R). MI acknowledges financial support from IST Austria. YL acknowledges
  funding from the European Union’s Horizon 2020 research and innovation program under
  the Marie Sklodowska-Curie grant agreement No. 754411. YZ, CX, XW, KX and TZ thank
  the China Scholarship Council for the scholarship support. ICN2 acknowledges funding
  from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project ENE2017-85087-C3.
  ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (grant no.
  SEV-2017-0706) and is funded by the CERCA program/Generalitat de Catalunya. Part
  of the present work has been performed in the framework of Universitat Autònoma
  de Barcelona Materials Science Ph.D. program. M.C.S. has 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.
  P.G. acknowledges financial support from the Spanish government (MICIU) through
  the RTI2018-102006-J-I00 project and the Catalan Agency of Competitiveness (ACCIO)
  through the TecnioSpring+ Marie Sklodowska-Curie action TECSPR16-1-0082. YZ and
  CX contributed equally to this work.
article_number: '105991'
article_processing_charge: No
article_type: original
author:
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Congcong
  full_name: Xing, Congcong
  last_name: Xing
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Maria Chiara
  full_name: Spadaro, Maria Chiara
  last_name: Spadaro
- first_name: Xiang
  full_name: Wang, Xiang
  last_name: Wang
- first_name: Mengyao
  full_name: Li, Mengyao
  last_name: Li
- first_name: Ke
  full_name: Xiao, Ke
  last_name: Xiao
- first_name: Ting
  full_name: Zhang, Ting
  last_name: Zhang
- first_name: Pablo
  full_name: Guardia, Pablo
  last_name: Guardia
- first_name: Khak Ho
  full_name: Lim, Khak Ho
  last_name: Lim
- first_name: Ahmad Ostovari
  full_name: Moghaddam, Ahmad Ostovari
  last_name: Moghaddam
- first_name: Jordi
  full_name: Llorca, Jordi
  last_name: Llorca
- 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: Zhang Y, Xing C, Liu Y, et al. Doping-mediated stabilization of copper vacancies
    to promote thermoelectric properties of Cu2-xS. <i>Nano Energy</i>. 2021;85(7).
    doi:<a href="https://doi.org/10.1016/j.nanoen.2021.105991">10.1016/j.nanoen.2021.105991</a>
  apa: Zhang, Y., Xing, C., Liu, Y., Spadaro, M. C., Wang, X., Li, M., … Cabot, A.
    (2021). Doping-mediated stabilization of copper vacancies to promote thermoelectric
    properties of Cu2-xS. <i>Nano Energy</i>. Elsevier. <a href="https://doi.org/10.1016/j.nanoen.2021.105991">https://doi.org/10.1016/j.nanoen.2021.105991</a>
  chicago: Zhang, Yu, Congcong Xing, Yu Liu, Maria Chiara Spadaro, Xiang Wang, Mengyao
    Li, Ke Xiao, et al. “Doping-Mediated Stabilization of Copper Vacancies to Promote
    Thermoelectric Properties of Cu2-XS.” <i>Nano Energy</i>. Elsevier, 2021. <a href="https://doi.org/10.1016/j.nanoen.2021.105991">https://doi.org/10.1016/j.nanoen.2021.105991</a>.
  ieee: Y. Zhang <i>et al.</i>, “Doping-mediated stabilization of copper vacancies
    to promote thermoelectric properties of Cu2-xS,” <i>Nano Energy</i>, vol. 85,
    no. 7. Elsevier, 2021.
  ista: Zhang Y, Xing C, Liu Y, Spadaro MC, Wang X, Li M, Xiao K, Zhang T, Guardia
    P, Lim KH, Moghaddam AO, Llorca J, Arbiol J, Ibáñez M, Cabot A. 2021. Doping-mediated
    stabilization of copper vacancies to promote thermoelectric properties of Cu2-xS.
    Nano Energy. 85(7), 105991.
  mla: Zhang, Yu, et al. “Doping-Mediated Stabilization of Copper Vacancies to Promote
    Thermoelectric Properties of Cu2-XS.” <i>Nano Energy</i>, vol. 85, no. 7, 105991,
    Elsevier, 2021, doi:<a href="https://doi.org/10.1016/j.nanoen.2021.105991">10.1016/j.nanoen.2021.105991</a>.
  short: Y. Zhang, C. Xing, Y. Liu, M.C. Spadaro, X. Wang, M. Li, K. Xiao, T. Zhang,
    P. Guardia, K.H. Lim, A.O. Moghaddam, J. Llorca, J. Arbiol, M. Ibáñez, A. Cabot,
    Nano Energy 85 (2021).
date_created: 2021-04-04T22:01:21Z
date_published: 2021-07-01T00:00:00Z
date_updated: 2023-09-27T07:41:00Z
day: '01'
department:
- _id: MaIb
doi: 10.1016/j.nanoen.2021.105991
ec_funded: 1
external_id:
  isi:
  - '000663442200004'
intvolume: '        85'
isi: 1
issue: '7'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://ddd.uab.cat/record/271947
month: '07'
oa: 1
oa_version: Submitted Version
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
publication: Nano Energy
publication_identifier:
  issn:
  - 2211-2855
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Doping-mediated stabilization of copper vacancies to promote thermoelectric
  properties of Cu2-xS
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 85
year: '2021'
...
---
_id: '8189'
abstract:
- lang: eng
  text: Direct ethanol fuel cells (DEFCs) show a huge potential to power future electric
    vehicles and portable electronics, but their deployment is currently limited by
    the unavailability of proper electrocatalysis for the ethanol oxidation reaction
    (EOR). In this work, we engineer a new electrocatalyst by incorporating phosphorous
    into a palladium-tin alloy and demonstrate a significant performance improvement
    toward EOR. We first detail a synthetic method to produce Pd2Sn:P nanocrystals
    that incorporate 35% of phosphorus. These nanoparticles are supported on carbon
    black and tested for EOR. Pd2Sn:P/C catalysts exhibit mass current densities up
    to 5.03 A mgPd−1, well above those of Pd2Sn/C, PdP2/C and Pd/C reference catalysts.
    Furthermore, a twofold lower Tafel slope and a much longer durability are revealed
    for the Pd2Sn:P/C catalyst compared with Pd/C. The performance improvement is
    rationalized with the aid of density functional theory (DFT) calculations considering
    different phosphorous chemical environments. Depending on its oxidation state,
    surface phosphorus introduces sites with low energy OH− adsorption and/or strongly
    influences the electronic structure of palladium and tin to facilitate the oxidation
    of the acetyl to acetic acid, which is considered the EOR rate limiting step.
    DFT calculations also points out that the durability improvement of Pd2Sn:P/C
    catalyst is associated to the promotion of OH adsorption that accelerates the
    oxidation of intermediate poisoning COads, reactivating the catalyst surface.
acknowledgement: This work was supported by the European Regional Development Funds
  and by the Spanish Ministerio de Economía y Competitividad through the project SEHTOP,
  ENE2016- 77798-C4-3-R, and ENE2017-85087-C3. X. Y. thanks the China Scholarship
  Council for the scholarship support. J. Liu acknowledges support from the Jiangsu
  University Foundation (4111510011). J. Li obtained International Postdoctoral Exchange
  Fellowship Program (Talent-Introduction program) in 2019 and is grateful for the
  project (2019M663468) funded by the China Postdoctoral Science Foundation. Authors
  acknowledge funding from Generalitat de Catalunya 2017 SGR 327 and 2017 SGR 1246,
  and from IST Austria. ICN2 acknowledges the support from the Severo Ochoa Programme
  (MINECO, grant no. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat
  de Catalunya. J. Llorca is a Serra Húnter Fellow and is grateful to MICINN/FEDER
  RTI2018-093996-B-C31, GC 2017 SGR 128 and to ICREA Academia program.
article_number: '105116'
article_processing_charge: No
article_type: original
author:
- first_name: Xiaoting
  full_name: Yu, Xiaoting
  last_name: Yu
- first_name: Junfeng
  full_name: Liu, Junfeng
  last_name: Liu
- first_name: Junshan
  full_name: Li, Junshan
  last_name: Li
- first_name: Zhishan
  full_name: Luo, Zhishan
  last_name: Luo
- first_name: Yong
  full_name: Zuo, Yong
  last_name: Zuo
- first_name: Congcong
  full_name: Xing, Congcong
  last_name: Xing
- first_name: Jordi
  full_name: Llorca, Jordi
  last_name: Llorca
- first_name: Déspina
  full_name: Nasiou, Déspina
  last_name: Nasiou
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Kai
  full_name: Pan, Kai
  last_name: Pan
- first_name: Tobias
  full_name: Kleinhanns, Tobias
  id: 8BD9DE16-AB3C-11E9-9C8C-2A03E6697425
  last_name: Kleinhanns
- first_name: Ying
  full_name: Xie, Ying
  last_name: Xie
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: Yu X, Liu J, Li J, et al. Phosphorous incorporation in Pd2Sn alloys for electrocatalytic
    ethanol oxidation. <i>Nano Energy</i>. 2020;77(11). doi:<a href="https://doi.org/10.1016/j.nanoen.2020.105116">10.1016/j.nanoen.2020.105116</a>
  apa: Yu, X., Liu, J., Li, J., Luo, Z., Zuo, Y., Xing, C., … Cabot, A. (2020). Phosphorous
    incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation. <i>Nano
    Energy</i>. Elsevier. <a href="https://doi.org/10.1016/j.nanoen.2020.105116">https://doi.org/10.1016/j.nanoen.2020.105116</a>
  chicago: Yu, Xiaoting, Junfeng Liu, Junshan Li, Zhishan Luo, Yong Zuo, Congcong
    Xing, Jordi Llorca, et al. “Phosphorous Incorporation in Pd2Sn Alloys for Electrocatalytic
    Ethanol Oxidation.” <i>Nano Energy</i>. Elsevier, 2020. <a href="https://doi.org/10.1016/j.nanoen.2020.105116">https://doi.org/10.1016/j.nanoen.2020.105116</a>.
  ieee: X. Yu <i>et al.</i>, “Phosphorous incorporation in Pd2Sn alloys for electrocatalytic
    ethanol oxidation,” <i>Nano Energy</i>, vol. 77, no. 11. Elsevier, 2020.
  ista: Yu X, Liu J, Li J, Luo Z, Zuo Y, Xing C, Llorca J, Nasiou D, Arbiol J, Pan
    K, Kleinhanns T, Xie Y, Cabot A. 2020. Phosphorous incorporation in Pd2Sn alloys
    for electrocatalytic ethanol oxidation. Nano Energy. 77(11), 105116.
  mla: Yu, Xiaoting, et al. “Phosphorous Incorporation in Pd2Sn Alloys for Electrocatalytic
    Ethanol Oxidation.” <i>Nano Energy</i>, vol. 77, no. 11, 105116, Elsevier, 2020,
    doi:<a href="https://doi.org/10.1016/j.nanoen.2020.105116">10.1016/j.nanoen.2020.105116</a>.
  short: X. Yu, J. Liu, J. Li, Z. Luo, Y. Zuo, C. Xing, J. Llorca, D. Nasiou, J. Arbiol,
    K. Pan, T. Kleinhanns, Y. Xie, A. Cabot, Nano Energy 77 (2020).
date_created: 2020-08-02T22:00:57Z
date_published: 2020-11-01T00:00:00Z
date_updated: 2023-08-22T08:24:05Z
day: '01'
department:
- _id: MaIb
doi: 10.1016/j.nanoen.2020.105116
external_id:
  isi:
  - '000581738300030'
intvolume: '        77'
isi: 1
issue: '11'
language:
- iso: eng
month: '11'
oa_version: None
publication: Nano Energy
publication_identifier:
  issn:
  - 2211-2855
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 77
year: '2020'
...