Shift current photovoltaic efficiency of 2D materials
dc.contributor.author | Sauer, Mikkel Ohm | |
dc.contributor.author | Taghizadeh, Alireza | |
dc.contributor.author | Petralanda Holguin, Urko | |
dc.contributor.author | Ovesen, Martin | |
dc.contributor.author | Thygesen, Kristian Sommer | |
dc.contributor.author | Olsen, Thomas | |
dc.contributor.author | Cornean, Horia | |
dc.contributor.author | Pedersen, Thomas Garm | |
dc.date.accessioned | 2023-04-03T17:45:14Z | |
dc.date.available | 2023-04-03T17:45:14Z | |
dc.date.issued | 2023 | |
dc.identifier.citation | npj Computational Materials 9 : (2023) // Article ID 35 | es_ES |
dc.identifier.issn | 2057-3960 | |
dc.identifier.uri | http://hdl.handle.net/10810/60598 | |
dc.description.abstract | Shift current photovoltaic devices are potential candidates for future cheap, sustainable, and efficient electricity generation. In the present work, we calculate the solar-generated shift current and efficiencies in 326 different 2D materials obtained from the computational database C2DB. We apply, as metrics, the efficiencies of monolayer and multilayer samples. The monolayer efficiencies are generally found to be low, while the multilayer efficiencies of infinite stacks show great promise. Furthermore, the out-of-plane shift current response is considered, and material candidates for efficient out-of-plane shift current devices are identified. Among the screened materials, MXY Janus and MX2 transition metal dichalchogenides (TMDs) constitute a prominent subset, with chromium based MXY Janus TMDs holding particular promise. Finally, in order to explain the band gap dependence of the PV efficiency, a simple gapped graphene model with a variable band gap is established and related to the calculated efficiencies. | es_ES |
dc.description.sponsorship | M.O.S., A.T., K.S.T., and T.G.P. are supported by the CNG center under the Danish National Research Foundation, project DNRF103. U.P. acknowledges funding from the European Union’s Next Generation EU plan through the María Zambrano programme (MAZAM21/19). T.O. is supported by the Villum foundation, Grant No. 00028145. K.S.T. acknowledge funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program Grant No. 773122 (LIMA) and Grant agreement No. 951786 (NOMAD CoE). K.S.T. is a Villum Investigator supported by the Villum foundation (Grant No. 37789). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Nature | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/773122 | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/951786 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.title | Shift current photovoltaic efficiency of 2D materials | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | © The Author(s) 2023. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http:// creativecommons.org/licenses/by/4.0/. | es_ES |
dc.rights.holder | Atribución 3.0 España | * |
dc.relation.publisherversion | https://www.nature.com/articles/s41524-023-00983-z | es_ES |
dc.identifier.doi | 10.1038/s41524-023-00983-z | |
dc.contributor.funder | European Commission | |
dc.departamentoes | Física | es_ES |
dc.departamentoeu | Fisika | es_ES |
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