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dc.contributor.authorEcheverría-Arrondo, Carlos
dc.date.accessioned2019-02-04T08:29:43Z
dc.date.available2019-02-04T08:29:43Z
dc.date.issued2018-06-04
dc.identifier.citationECHEVERRÍA-ARRONDO, C. Origin of photovoltage in perovskite solar cells probed by first-principles calculations. Applied Physics Letters, 2018, vol. 112, no 23, p. 233902ca_CA
dc.identifier.issn0003-6951
dc.identifier.issn1077-3118
dc.identifier.urihttp://hdl.handle.net/10234/180581
dc.description.abstractHybrid halide perovskite solar cells hold great potential for photovoltaic applications, but suffer, however, from anomalous current density-voltage characteristics. With a view to further understanding the performance of these optoelectronic devices, we investigate a prototypical electron selective contact with density functional theory methods. Our computations on a TiO2/CH3NH3PbI3 heterojunction doped with Schottky defects at open circuit reveal a consistent picture of ions and interlayer excitons at the origin of photovoltage formation.ca_CA
dc.format.extent4 p.ca_CA
dc.format.mimetypeapplication/pdfca_CA
dc.language.isoengca_CA
dc.relation.isPartOfApplied Physics Letters, 2018, vol. 112, no 23ca_CA
dc.rights© AIP Publishingca_CA
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/*
dc.subjectheterointerfacesca_CA
dc.subjectnanostructuresca_CA
dc.subjectoptoelectronic devicesca_CA
dc.subjectdensity functional theoryca_CA
dc.subjectfirst-principle calculationsca_CA
dc.subjectperovskitesca_CA
dc.subjectsolar cellsca_CA
dc.subjectexcitonsca_CA
dc.subjectcrystallographic defectsca_CA
dc.titleOrigin of photovoltage in perovskite solar cells probed by first-principles calculationsca_CA
dc.typeinfo:eu-repo/semantics/articleca_CA
dc.identifier.doihttps://doi.org/10.1063/1.5033325
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessca_CA
dc.relation.publisherVersionhttps://aip.scitation.org/doi/full/10.1063/1.5033325ca_CA
dc.date.embargoEndDate2019-06-04
dc.contributor.funderWe thank C. Quarti and F. De Angelis for their help on the DFT calculations, N. López for the comments on the chemical reactivity of free surfaces, and J. Bisquert, S. Ravishankar, and A. Bou for their expertise on perovskite solar cells.ca_CA
dc.type.versioninfo:eu-repo/semantics/publishedVersionca_CA


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