dc.date.accessioned | 2022-08-10T15:38:19Z | |
dc.date.available | 2022-08-10T15:38:19Z | |
dc.date.created | 2022-01-20T14:17:52Z | |
dc.date.issued | 2022 | |
dc.identifier.citation | Jebasty, Mariyal R. Sjåstad, Anja Olafsen Ravindran, Vidya . Prediction of intermediate band in Ti/V doped γ-In2S3. RSC Advances. 2022, 12, 1331-1340 | |
dc.identifier.uri | http://hdl.handle.net/10852/94929 | |
dc.description.abstract | Materials with an intermediate energy band (IB) introduced in the forbidden gap are viable alternatives to tandem configurations of solar cells for increasing the photon-conversion efficiency. One of the aspiring designs proposed for the intermediate band concept is hyperdoped (Ti, V):In2S3. Being very important in copper indium gallium sulfide (CIGS) solar cells, indium thiospinel (In2S3) is known for its three different temperature as well as pressure, polymorphs. The most stable β-In2S3 was experimentally shown to have an isolated intermediate band (IB) and exhibits sub-band gap absorption due to the completely filled IB after V-doping. Though experimental observation holds a positive signature, recent DFT studies did not show a metallic intermediate band for the V dopant in the 3+ charge state. In order to clarify this, we have taken incentive from experimental XRD analysis that V-doped β-In2S3 shows peaks from disordered In vacancies (either α or γ), in addition to the ordered In vacancies expected. Hence, we have carried out state-of-the-art DFT based computations on pure and Ti, V-doped In2S3 in the γ-phase which has not been studied yet. We considered the Ti and V dopants in various charge states. Our theoretical study including hybrid functional, does in fact find the IB in V-doped γ-In2S3. However, at equilibrium the IB lies in between the Fermi level (EF) and conduction band minimum (CBM). | |
dc.language | EN | |
dc.rights | Attribution-NonCommercial 3.0 Unported | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc/3.0/ | |
dc.title | Prediction of intermediate band in Ti/V doped γ-In2S3 | |
dc.title.alternative | ENEngelskEnglishPrediction of intermediate band in Ti/V doped γ-In2S3 | |
dc.type | Journal article | |
dc.creator.author | Jebasty, Mariyal R. | |
dc.creator.author | Sjåstad, Anja Olafsen | |
dc.creator.author | Ravindran, Vidya | |
cristin.unitcode | 185,15,12,0 | |
cristin.unitname | Kjemisk institutt | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 1 | |
dc.identifier.cristin | 1986321 | |
dc.identifier.bibliographiccitation | info:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=RSC Advances&rft.volume=12&rft.spage=1331&rft.date=2022 | |
dc.identifier.jtitle | RSC Advances | |
dc.identifier.volume | 12 | |
dc.identifier.issue | 3 | |
dc.identifier.startpage | 1331 | |
dc.identifier.endpage | 1340 | |
dc.identifier.doi | https://doi.org/10.1039/d0ra08132a | |
dc.identifier.urn | URN:NBN:no-97457 | |
dc.type.document | Tidsskriftartikkel | |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 2046-2069 | |
dc.identifier.fulltext | Fulltext https://www.duo.uio.no/bitstream/handle/10852/94929/1/d0ra08132a.pdf | |
dc.type.version | PublishedVersion | |
dc.relation.project | NFR/NN2875k | |