Please use this identifier to cite or link to this item:
https://hdl.handle.net/2440/137902
Citations | ||
Scopus | Web of Science® | Altmetric |
---|---|---|
?
|
?
|
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Fu, S. | - |
dc.contributor.author | Lewis, D. | - |
dc.contributor.author | van Eyk, P. | - |
dc.contributor.author | Atanackovic, P. | - |
dc.contributor.author | Jiao, Y. | - |
dc.date.issued | 2023 | - |
dc.identifier.citation | Nanoscale, 2023; 15(15):6913-6919 | - |
dc.identifier.issn | 2040-3364 | - |
dc.identifier.issn | 2040-3372 | - |
dc.identifier.uri | https://hdl.handle.net/2440/137902 | - |
dc.description | Published on 22 March 2023 | - |
dc.description.abstract | Photoelectrochemical (PEC) water splitting combined with renewable energy is an appealing approach for solar energy conversion and storage. Monoclinic gallium oxide (β-Ga2O3) has been identified as a promising photoelectrode for PEC because of its good electrical conductivity and chemical and thermal stability. However, the wide bandgap (around 4.8 eV) and the recombination of photogenerated electrons and holes inside β-Ga2O3 limit its performance. Doping β-Ga2O3 is a practical strategy to enhance photocatalytic activity, but studies on doped β-Ga2O3 based photoelectrodes are lacking. In this study, we evaluate the doping effect of ten different dopants for β-Ga2O3 photoelectrode at the atomic level using density functional theory calculations. In addition, the oxygen evolution performance is evaluated on doped structures as it is considered the bottleneck reaction in water slitting on the anode of the PEC cell. Our results suggest that rhodium doping is optimal as it demonstrated the lowest overpotential for oxygen evolution reaction. We performed further electronic structure analysis, indicating the narrower bandgap and enhanced photogenerated electron-hole transfer comparing with β-Ga2O3 are the main reasons for the improved performance after Rh doping. This study demonstrates that doping is an attractive strategy for the development of efficient Ga2O3-based photoanodes and it will be of great importance in helping the design of other semiconductor-based photoelectrodes for practical application. | - |
dc.description.statementofresponsibility | Sijia Fu, David Lewis, Philip van Eyk, Petar Atanackovic and Yan Jiao | - |
dc.language.iso | en | - |
dc.publisher | Royal Society of Chemistry (RSC) | - |
dc.rights | © The Royal Society of Chemistry 2023 | - |
dc.source.uri | http://dx.doi.org/10.1039/d3nr00149k | - |
dc.title | Theoretical screening of single atom doping on β-Ga₂O₃ (100) for photoelectrochemical water splitting with high activity and low limiting potential | - |
dc.title.alternative | Theoretical screening of single atom doping on beta-Ga2O3 (100) for photoelectrochemical water splitting with high activity and low limiting potential. | - |
dc.type | Journal article | - |
dc.identifier.doi | 10.1039/d3nr00149k | - |
dc.relation.grant | http://purl.org/au-research/grants/arc/FT190100636 | - |
dc.relation.grant | http://purl.org/au-research/grants/arc/DP190103472 | - |
pubs.publication-status | Published | - |
dc.identifier.orcid | Fu, S. [0000-0001-5670-0872] | - |
dc.identifier.orcid | Lewis, D. [0000-0002-5322-1873] | - |
dc.identifier.orcid | van Eyk, P. [0000-0003-3768-2044] | - |
dc.identifier.orcid | Jiao, Y. [0000-0003-1329-4290] | - |
Appears in Collections: | Chemical Engineering publications |
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.