Level Alignment as Descriptor for Semiconductor/Catalyst Systems in Water Splitting: The Case of Hematite/Cobalt Hexacyanoferrate Photoanodes
Impacto
Scholar |
Otros documentos de la autoría: Hegner, Franziska; Cardenas-Morcoso, Drialys; Gimenez, Sixto; López, Núria; Galan-Mascaros, Jose Ramon
Metadatos
Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/160292
comunitat-uji-handle3:10234/160293
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INVESTIGACIONMetadatos
Título
Level Alignment as Descriptor for Semiconductor/Catalyst Systems in Water Splitting: The Case of Hematite/Cobalt Hexacyanoferrate PhotoanodesAutoría
Fecha de publicación
2017-11-23ISSN
1864-5631; 1864-564XCita bibliográfica
HEGNER, Franziska Simone, et al. Level Alignment as Descriptor for Semiconductor/Catalyst Systems in Water Splitting: The Case of Hematite/Cobalt Hexacyanoferrate Photoanodes. ChemSusChem, 2017, vol. 10, no 22, p. 4552-4560Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://onlinelibrary.wiley.com/doi/full/10.1002/cssc.201701538Versión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
The realization of artificial photosynthesis may depend on the efficient integration of photoactive semiconductors and catalysts to promote photoelectrochemical water splitting. Many efforts are currently devoted to ... [+]
The realization of artificial photosynthesis may depend on the efficient integration of photoactive semiconductors and catalysts to promote photoelectrochemical water splitting. Many efforts are currently devoted to the processing of multicomponent anodes and cathodes in the search for appropriate synergy between light absorbers and active catalysts. No single material appears to combine both features. Many experimental parameters are key to achieve the needed synergy between both systems, without clear protocols for success. Herein, we show how computational chemistry can shed some light on this cumbersome problem. DFT calculations are useful to predict adequate energy‐level alignment for thermodynamically favored hole transfer. As proof of concept, we experimentally confirmed the limited performance enhancement in hematite photoanodes decorated with cobalt hexacyanoferrate as a competent water‐oxidation catalyst. Computational methods describe the misalignment of their energy levels, which is the origin of this mismatch. Photoelectrochemical studies indicate that the catalyst exclusively shifts the hematite surface state to lower potentials, which therefore reduces the onset for water oxidation. Although kinetics will still depend on interface architecture, our simple theoretical approach may identify and predict plausible semiconductor/catalyst combinations, which will speed up experimental work towards promising photoelectrocatalytic systems. [-]
Publicado en
ChemSusChem, 2017, vol. 10, no 22Proyecto de investigación
European Union (project ERC StG grant CHEMCOMP): 279313; Spanish Ministerio de Economia y Competitividad (MINECO): CTQ2015-71287-R, CTQ2015-68770-R; Severo Ochoa Excellence Accreditation; SEV-2013-0319; Generalitat de Catalunya (CERCA Programme): 2014-SGR-797,2014SGR-199; University Jaume I: P11B2014-51; Generalitat Valenciana through the Santiago Grisolia Program: 2015-031; "LaCaixa"-Severo Ochoa International Programme (Programa internacional de Becas "LaCaixa"-Severo Ochoa)Derechos de acceso
© Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim
http://rightsstatements.org/vocab/InC/1.0/
info:eu-repo/semantics/openAccess
http://rightsstatements.org/vocab/InC/1.0/
info:eu-repo/semantics/openAccess
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