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Prediction of optoelectronic features and efficiency for CuMX2 (M=Ga, In; X=S, Se) semiconductors using mbj+U approximation
dc.contributor.author | Bikerouin M | |
dc.contributor.author | Balli M | |
dc.contributor.author | Correa J.D | |
dc.contributor.author | Mora-Ramos M.E. | |
dc.date.accessioned | 2022-09-14T14:33:58Z | |
dc.date.available | 2022-09-14T14:33:58Z | |
dc.date.created | 2021 | |
dc.identifier.issn | 15671739 | |
dc.identifier.uri | http://hdl.handle.net/11407/7539 | |
dc.description | The optoelectronic properties of a selected group of Cu-III-VI2 chalcopyrites-based materials are deeply investigated by using the modified Becke-Johnson (mBJ) potential, combined with DFT + U approach. The obtained results are further used to calculate these materials’ theoretical efficiency limit for solar cell applications. The bandgap findings indicate a reliable ±0.2 eV agreement. After evaluating the electronic and optical properties, the spectroscopic limited maximum efficiency (SLME) model was used as a metric for the screening. Besides the bandgap value considered in the Shockley–Queisser model, the SLME requires that the absorption spectra, the radiative recombination losses, and the absorber layer thickness must be considered to adequately calculate the efficiency of considered cells. Our findings unveil that some candidates, such as CuInS2, where an SLME of 30.25% is achieved at a film width of 500 nm can be classified in the category of materials with higher power conversion efficiency. © 2021 Korean Physical Society | eng |
dc.language.iso | eng | |
dc.publisher | Elsevier B.V. | |
dc.relation.isversionof | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85115748171&doi=10.1016%2fj.cap.2021.09.010&partnerID=40&md5=fb0d33e29058111635a1ab23af82ca59 | |
dc.source | Current Applied Physics | |
dc.title | Prediction of optoelectronic features and efficiency for CuMX2 (M=Ga, In; X=S, Se) semiconductors using mbj+U approximation | |
dc.type | Article | |
dc.rights.accessrights | info:eu-repo/semantics/restrictedAccess | |
dc.publisher.program | Ciencias Básicas | |
dc.type.spa | Artículo | |
dc.identifier.doi | 10.1016/j.cap.2021.09.010 | |
dc.subject.keyword | Chalcopyrite | eng |
dc.subject.keyword | First-principles calculations | eng |
dc.subject.keyword | FP-LAPW | eng |
dc.subject.keyword | Optoelectronic properties | eng |
dc.subject.keyword | Solar cell performance | eng |
dc.subject.keyword | Calculations | eng |
dc.subject.keyword | Copper compounds | eng |
dc.subject.keyword | Energy gap | eng |
dc.subject.keyword | Optical properties | eng |
dc.subject.keyword | Solar cells | eng |
dc.subject.keyword | Chalcopyrite | eng |
dc.subject.keyword | Efficiency limits | eng |
dc.subject.keyword | Efficiency models | eng |
dc.subject.keyword | Electronic and optical properties | eng |
dc.subject.keyword | First principle calculations | eng |
dc.subject.keyword | FP-LAPW | eng |
dc.subject.keyword | Maximum Efficiency | eng |
dc.subject.keyword | Optoelectronics property | eng |
dc.subject.keyword | Solar cell performance | eng |
dc.subject.keyword | Solar-cell applications | eng |
dc.subject.keyword | Efficiency | eng |
dc.relation.citationvolume | 32 | |
dc.relation.citationstartpage | 11 | |
dc.relation.citationendpage | 23 | |
dc.publisher.faculty | Facultad de Ciencias Básicas | |
dc.affiliation | Bikerouin, M., AMEEC Team, LERMA, College of Engineering and Architecture, International University of Rabat, Parc Technopolis, Rocade de Rabat-Salé11100, Morocco | |
dc.affiliation | Balli, M., AMEEC Team, LERMA, College of Engineering and Architecture, International University of Rabat, Parc Technopolis, Rocade de Rabat-Salé11100, Morocco | |
dc.affiliation | Correa, J.D., Facultad de Ciencias Básicas. Universidad de Medellín. Medellín, Colombia | |
dc.affiliation | Mora-Ramos, M.E., Centro de Investigación en Ciencias-IICBA. Universidad Autónoma Del Estado de Morelos. Av. Universidad 1001, Cuernavaca, Morelos C.P. 62209, Mexico | |
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dc.type.coar | http://purl.org/coar/resource_type/c_6501 | |
dc.type.version | info:eu-repo/semantics/publishedVersion | |
dc.type.driver | info:eu-repo/semantics/article | |
dc.identifier.reponame | reponame:Repositorio Institucional Universidad de Medellín | |
dc.identifier.repourl | repourl:https://repository.udem.edu.co/ | |
dc.identifier.instname | instname:Universidad de Medellín |
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