---
_id: '14733'
abstract:
- lang: eng
  text: Redox flow batteries (RFBs) rely on the development of cheap, highly soluble,
    and high-energy-density electrolytes. Several candidate quinones have already
    been investigated in the literature as two-electron anolytes or catholytes, benefiting
    from fast kinetics, high tunability, and low cost. Here, an investigation of nitrogen-rich
    fused heteroaromatic quinones was carried out to explore avenues for electrolyte
    development. These quinones were synthesized and screened by using electrochemical
    techniques. The most promising candidate, 4,8-dioxo-4,8-dihydrobenzo[1,2-d:4,5-d′]bis([1,2,3]triazole)-1,5-diide
    (−0.68 V(SHE)), was tested in both an asymmetric and symmetric full-cell setup
    resulting in capacity fade rates of 0.35% per cycle and 0.0124% per cycle, respectively.
    In situ ultraviolet-visible spectroscopy (UV–Vis), nuclear magnetic resonance
    (NMR), and electron paramagnetic resonance (EPR) spectroscopies were used to investigate
    the electrochemical stability of the charged species during operation. UV–Vis
    spectroscopy, supported by density functional theory (DFT) modeling, reaffirmed
    that the two-step charging mechanism observed during battery operation consisted
    of two, single-electron transfers. The radical concentration during battery operation
    and the degree of delocalization of the unpaired electron were quantified with
    NMR and EPR spectroscopy.
article_processing_charge: Yes (in subscription journal)
article_type: original
author:
- first_name: Rajesh B
  full_name: Jethwa, Rajesh B
  id: 4cc538d5-803f-11ed-ab7e-8139573aad8f
  last_name: Jethwa
  orcid: 0000-0002-0404-4356
- first_name: Dominic
  full_name: Hey, Dominic
  last_name: Hey
- first_name: Rachel N.
  full_name: Kerber, Rachel N.
  last_name: Kerber
- first_name: Andrew D.
  full_name: Bond, Andrew D.
  last_name: Bond
- first_name: Dominic S.
  full_name: Wright, Dominic S.
  last_name: Wright
- first_name: Clare P.
  full_name: Grey, Clare P.
  last_name: Grey
citation:
  ama: Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. Exploring the landscape
    of heterocyclic quinones for redox flow batteries. <i>ACS Applied Energy Materials</i>.
    2023. doi:<a href="https://doi.org/10.1021/acsaem.3c02223">10.1021/acsaem.3c02223</a>
  apa: Jethwa, R. B., Hey, D., Kerber, R. N., Bond, A. D., Wright, D. S., &#38; Grey,
    C. P. (2023). Exploring the landscape of heterocyclic quinones for redox flow
    batteries. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a
    href="https://doi.org/10.1021/acsaem.3c02223">https://doi.org/10.1021/acsaem.3c02223</a>
  chicago: Jethwa, Rajesh B, Dominic Hey, Rachel N. Kerber, Andrew D. Bond, Dominic
    S. Wright, and Clare P. Grey. “Exploring the Landscape of Heterocyclic Quinones
    for Redox Flow Batteries.” <i>ACS Applied Energy Materials</i>. American Chemical
    Society, 2023. <a href="https://doi.org/10.1021/acsaem.3c02223">https://doi.org/10.1021/acsaem.3c02223</a>.
  ieee: R. B. Jethwa, D. Hey, R. N. Kerber, A. D. Bond, D. S. Wright, and C. P. Grey,
    “Exploring the landscape of heterocyclic quinones for redox flow batteries,” <i>ACS
    Applied Energy Materials</i>. American Chemical Society, 2023.
  ista: Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. 2023. Exploring
    the landscape of heterocyclic quinones for redox flow batteries. ACS Applied Energy
    Materials.
  mla: Jethwa, Rajesh B., et al. “Exploring the Landscape of Heterocyclic Quinones
    for Redox Flow Batteries.” <i>ACS Applied Energy Materials</i>, American Chemical
    Society, 2023, doi:<a href="https://doi.org/10.1021/acsaem.3c02223">10.1021/acsaem.3c02223</a>.
  short: R.B. Jethwa, D. Hey, R.N. Kerber, A.D. Bond, D.S. Wright, C.P. Grey, ACS
    Applied Energy Materials (2023).
date_created: 2024-01-05T09:20:48Z
date_published: 2023-12-28T00:00:00Z
date_updated: 2024-01-08T09:03:01Z
day: '28'
ddc:
- '540'
department:
- _id: StFr
doi: 10.1021/acsaem.3c02223
ec_funded: 1
has_accepted_license: '1'
keyword:
- Electrical and Electronic Engineering
- Materials Chemistry
- Electrochemistry
- Energy Engineering and Power Technology
- Chemical Engineering (miscellaneous)
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1021/acsaem.3c02223
month: '12'
oa: 1
oa_version: Published Version
project:
- _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c
  call_identifier: H2020
  grant_number: '101034413'
  name: 'IST-BRIDGE: International postdoctoral program'
publication: ACS Applied Energy Materials
publication_identifier:
  eissn:
  - 2574-0962
publication_status: epub_ahead
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Exploring the landscape of heterocyclic quinones for redox flow batteries
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
_id: '7467'
abstract:
- lang: eng
  text: Nanomaterials produced from the bottom-up assembly of nanocrystals may incorporate
    ∼1020–1021 cm–3 not fully coordinated surface atoms, i.e., ∼1020–1021 cm–3 potential
    donor or acceptor states that can strongly affect transport properties. Therefore,
    to exploit the full potential of nanocrystal building blocks to produce functional
    nanomaterials and thin films, a proper control of their surface chemistry is required.
    Here, we analyze how the ligand stripping procedure influences the charge and
    heat transport properties of sintered PbSe nanomaterials produced from the bottom-up
    assembly of colloidal PbSe nanocrystals. First, we show that the removal of the
    native organic ligands by thermal decomposition in an inert atmosphere leaves
    relatively large amounts of carbon at the crystal interfaces. This carbon blocks
    crystal growth during consolidation and at the same time hampers charge and heat
    transport through the final nanomaterial. Second, we demonstrate that, by stripping
    ligands from the nanocrystal surface before consolidation, nanomaterials with
    larger crystal domains, lower porosity, and higher charge carrier concentrations
    are obtained, thus resulting in nanomaterials with higher electrical and thermal
    conductivities. In addition, the ligand displacement leaves the nanocrystal surface
    unprotected, facilitating oxidation and chalcogen evaporation. The influence of
    the ligand displacement on the nanomaterial charge transport properties is rationalized
    here using a two-band model based on the standard Boltzmann transport equation
    with the relaxation time approximation. Finally, we present an application of
    the produced functional nanomaterials by modeling, fabricating, and testing a
    simple PbSe-based thermoelectric device with a ring geometry.
acknowledgement: This work was supported by the Spanish Ministerio de Economía y Competitividad
  through the project SEHTOP (ENE2016-77798-C4-3-R) and the Generalitat de Catalunya
  through the project 2017SGR1246. D.C. acknowledges support from Universidad Nacional
  de Colombia. Y.L. acknowledges funding from the European Union’s Horizon 2020 research
  and innovation programme under the Marie Sklodowska-Curie grant agreement no. 754411.
  M.I. acknowledges financial support from IST Austria.
article_processing_charge: No
article_type: original
author:
- first_name: Doris
  full_name: Cadavid, Doris
  last_name: Cadavid
- first_name: Silvia
  full_name: Ortega, Silvia
  last_name: Ortega
- first_name: Sergio
  full_name: Illera, Sergio
  last_name: Illera
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Alexey
  full_name: Shavel, Alexey
  last_name: Shavel
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Mengyao
  full_name: Li, Mengyao
  last_name: Li
- first_name: Antonio M.
  full_name: López, Antonio M.
  last_name: López
- first_name: Germán
  full_name: Noriega, Germán
  last_name: Noriega
- first_name: Oscar Juan
  full_name: Durá, Oscar Juan
  last_name: Durá
- first_name: M. A.
  full_name: López De La Torre, M. A.
  last_name: López De La Torre
- first_name: Joan Daniel
  full_name: Prades, Joan Daniel
  last_name: Prades
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: Cadavid D, Ortega S, Illera S, et al. Influence of the ligand stripping on
    the transport properties of nanoparticle-based PbSe nanomaterials. <i>ACS Applied
    Energy Materials</i>. 2020;3(3):2120-2129. doi:<a href="https://doi.org/10.1021/acsaem.9b02137">10.1021/acsaem.9b02137</a>
  apa: Cadavid, D., Ortega, S., Illera, S., Liu, Y., Ibáñez, M., Shavel, A., … Cabot,
    A. (2020). Influence of the ligand stripping on the transport properties of nanoparticle-based
    PbSe nanomaterials. <i>ACS Applied Energy Materials</i>. American Chemical Society.
    <a href="https://doi.org/10.1021/acsaem.9b02137">https://doi.org/10.1021/acsaem.9b02137</a>
  chicago: Cadavid, Doris, Silvia Ortega, Sergio Illera, Yu Liu, Maria Ibáñez, Alexey
    Shavel, Yu Zhang, et al. “Influence of the Ligand Stripping on the Transport Properties
    of Nanoparticle-Based PbSe Nanomaterials.” <i>ACS Applied Energy Materials</i>.
    American Chemical Society, 2020. <a href="https://doi.org/10.1021/acsaem.9b02137">https://doi.org/10.1021/acsaem.9b02137</a>.
  ieee: D. Cadavid <i>et al.</i>, “Influence of the ligand stripping on the transport
    properties of nanoparticle-based PbSe nanomaterials,” <i>ACS Applied Energy Materials</i>,
    vol. 3, no. 3. American Chemical Society, pp. 2120–2129, 2020.
  ista: Cadavid D, Ortega S, Illera S, Liu Y, Ibáñez M, Shavel A, Zhang Y, Li M, López
    AM, Noriega G, Durá OJ, López De La Torre MA, Prades JD, Cabot A. 2020. Influence
    of the ligand stripping on the transport properties of nanoparticle-based PbSe
    nanomaterials. ACS Applied Energy Materials. 3(3), 2120–2129.
  mla: Cadavid, Doris, et al. “Influence of the Ligand Stripping on the Transport
    Properties of Nanoparticle-Based PbSe Nanomaterials.” <i>ACS Applied Energy Materials</i>,
    vol. 3, no. 3, American Chemical Society, 2020, pp. 2120–29, doi:<a href="https://doi.org/10.1021/acsaem.9b02137">10.1021/acsaem.9b02137</a>.
  short: D. Cadavid, S. Ortega, S. Illera, Y. Liu, M. Ibáñez, A. Shavel, Y. Zhang,
    M. Li, A.M. López, G. Noriega, O.J. Durá, M.A. López De La Torre, J.D. Prades,
    A. Cabot, ACS Applied Energy Materials 3 (2020) 2120–2129.
date_created: 2020-02-09T23:00:52Z
date_published: 2020-03-01T00:00:00Z
date_updated: 2023-08-17T14:36:16Z
day: '01'
ddc:
- '540'
department:
- _id: MaIb
doi: 10.1021/acsaem.9b02137
ec_funded: 1
external_id:
  isi:
  - '000526598300012'
file:
- access_level: open_access
  checksum: f23be731a766a480c77c962c1380315c
  content_type: application/pdf
  creator: dernst
  date_created: 2022-08-23T08:34:17Z
  date_updated: 2022-08-23T08:34:17Z
  file_id: '11942'
  file_name: 2020_ACSAppliedEnergyMat_Cadavid.pdf
  file_size: 6423548
  relation: main_file
  success: 1
file_date_updated: 2022-08-23T08:34:17Z
has_accepted_license: '1'
intvolume: '         3'
isi: 1
issue: '3'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Submitted Version
page: 2120-2129
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
publication: ACS Applied Energy Materials
publication_identifier:
  eissn:
  - 2574-0962
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Influence of the ligand stripping on the transport properties of nanoparticle-based
  PbSe nanomaterials
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 3
year: '2020'
...