{"id":"https://openalex.org/W3132058711","doi":"https://doi.org/10.1016/j.mtcomm.2021.102180","title":"Study on mechanical, electronic and optical properties of Pb-free double halide perovskites In2TiX6 (X = Cl, Br, I) for solar cells based on first-principles","display_name":"Study on mechanical, electronic and optical properties of Pb-free double halide perovskites In2TiX6 (X = Cl, Br, I) for solar cells based on first-principles","publication_year":2021,"publication_date":"2021-02-21","ids":{"openalex":"https://openalex.org/W3132058711","doi":"https://doi.org/10.1016/j.mtcomm.2021.102180","mag":"3132058711"},"language":"en","primary_location":{"id":"doi:10.1016/j.mtcomm.2021.102180","doi":"https://doi.org/10.1016/j.mtcomm.2021.102180","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.mtcomm.2021.102180","pdf_url":null,"source":{"id":"https://openalex.org/S2765035490","display_name":"Materials Today Communications","issn_l":"2352-4928","issn":["2352-4928"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Materials Today Communications","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5028081218","display_name":"Xian\u2010Hao Zhao","orcid":"https://orcid.org/0000-0002-9222-6730","observed_orcids":["https://orcid.org/0000-0002-9222-6730"]},"institutions":[{"id":"https://openalex.org/I178232147","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916","country_code":"CN","type":"education","lineage":["https://openalex.org/I178232147"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xian-Hao Zhao","raw_affiliation_strings":["School of Physics, Guizhou University, Guiyang, 550025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Guizhou University, Guiyang, 550025, China","institution_ids":["https://openalex.org/I178232147"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014455904","display_name":"Yan-Lin Tang","orcid":"https://orcid.org/0000-0002-2134-7447","observed_orcids":["https://orcid.org/0000-0002-2134-7447"]},"institutions":[{"id":"https://openalex.org/I178232147","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916","country_code":"CN","type":"education","lineage":["https://openalex.org/I178232147"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yan-Lin Tang","raw_affiliation_strings":["School of Physics, Guizhou University, Guiyang, 550025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Guizhou University, Guiyang, 550025, China","institution_ids":["https://openalex.org/I178232147"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011056330","display_name":"Tian\u2010Yu Tang","orcid":"https://orcid.org/0000-0003-1030-1096","observed_orcids":["https://orcid.org/0000-0003-1030-1096"]},"institutions":[{"id":"https://openalex.org/I178232147","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916","country_code":"CN","type":"education","lineage":["https://openalex.org/I178232147"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tian-Yu Tang","raw_affiliation_strings":["School of Physics, Guizhou University, Guiyang, 550025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Guizhou University, Guiyang, 550025, China","institution_ids":["https://openalex.org/I178232147"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060893166","display_name":"Xin-Feng Diao","orcid":"https://orcid.org/0000-0003-1575-1299","observed_orcids":["https://orcid.org/0000-0003-1575-1299"]},"institutions":[{"id":"https://openalex.org/I154893126","display_name":"Guizhou Normal University","ror":"https://ror.org/02x1pa065","country_code":"CN","type":"education","lineage":["https://openalex.org/I154893126"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xin-Feng Diao","raw_affiliation_strings":["School of Physics and Electronic Sciences, Guizhou Normal College, Guiyang, 550018, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics and Electronic Sciences, Guizhou Normal College, Guiyang, 550018, China","institution_ids":["https://openalex.org/I154893126"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101806018","display_name":"Li-Ke Gao","orcid":"https://orcid.org/0000-0002-3127-5790","observed_orcids":["https://orcid.org/0000-0002-3127-5790"]},"institutions":[{"id":"https://openalex.org/I178232147","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916","country_code":"CN","type":"education","lineage":["https://openalex.org/I178232147"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Li-Ke Gao","raw_affiliation_strings":["School of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China","institution_ids":["https://openalex.org/I178232147"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040171715","display_name":"Quan Xie","orcid":"https://orcid.org/0000-0002-2848-1745","observed_orcids":["https://orcid.org/0000-0002-2848-1745","https://orcid.org/0000-0003-2674-2136"]},"institutions":[{"id":"https://openalex.org/I178232147","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916","country_code":"CN","type":"education","lineage":["https://openalex.org/I178232147"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Quan Xie","raw_affiliation_strings":["School of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China","institution_ids":["https://openalex.org/I178232147"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109298110","display_name":"Bin Shi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I178232147","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916","country_code":"CN","type":"education","lineage":["https://openalex.org/I178232147"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Bin Shi","raw_affiliation_strings":["School of Physics, Guizhou University, Guiyang, 550025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Guizhou University, Guiyang, 550025, China","institution_ids":["https://openalex.org/I178232147"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076742349","display_name":"Yuan Li","orcid":"https://orcid.org/0000-0002-7931-9879","observed_orcids":["https://orcid.org/0000-0002-7931-9879"]},"institutions":[{"id":"https://openalex.org/I178232147","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916","country_code":"CN","type":"education","lineage":["https://openalex.org/I178232147"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Li Yuan","raw_affiliation_strings":["School of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China","institution_ids":["https://openalex.org/I178232147"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074757286","display_name":"Limin Lu","orcid":"https://orcid.org/0000-0002-3373-695X","observed_orcids":["https://orcid.org/0000-0002-3373-695X","https://orcid.org/0000-0003-1705-776X"]},"institutions":[{"id":"https://openalex.org/I178232147","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916","country_code":"CN","type":"education","lineage":["https://openalex.org/I178232147"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Li-Min Lu","raw_affiliation_strings":["School of Physics, Guizhou University, Guiyang, 550025, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Guizhou University, Guiyang, 550025, China","institution_ids":["https://openalex.org/I178232147"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5014455904"],"corresponding_institution_ids":["https://openalex.org/I178232147"],"apc_list":{"value":2000,"currency":"USD","value_usd":2000},"apc_paid":null,"fwci":1.2485,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.76992923,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":99},"biblio":{"volume":"26","issue":null,"first_page":"102180","last_page":"102180"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10247","display_name":"Perovskite Materials and Applications","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10247","display_name":"Perovskite Materials and Applications","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10275","display_name":"2D Materials and Applications","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/halide-double-perovskites","display_name":"halide double perovskites","score":0.9350000023841858},{"id":"https://openalex.org/keywords/lead-free-perovskites","display_name":"lead-free perovskites","score":0.859000027179718},{"id":"https://openalex.org/keywords/perovskite-solar-cells","display_name":"perovskite solar cells","score":0.9240000247955322},{"id":"https://openalex.org/keywords/mechanical-properties","display_name":"mechanical properties","score":0.8560000061988831},{"id":"https://openalex.org/keywords/band-structure","display_name":"electronic band structure","score":0.7480000257492065},{"id":"https://openalex.org/keywords/optical-absorption","display_name":"optical absorption","score":0.8849999904632568},{"id":"https://openalex.org/keywords/poisson-s-ratio","display_name":"Poisson's ratio","score":0.6919999718666077},{"id":"https://openalex.org/keywords/pugh-s-ratio","display_name":"Pugh ratio","score":0.9089999794960022},{"id":"https://openalex.org/keywords/born-stability-criteria","display_name":"Born stability criteria","score":0.7609999775886536},{"id":"https://openalex.org/keywords/enthalpy-of-formation","display_name":"enthalpy of formation","score":0.8659999966621399},{"id":"https://openalex.org/keywords/cohesive-energy","display_name":"cohesive energy","score":0.968999981880188}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.8480818271636963},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.7984037399291992},{"id":"https://openalex.org/C108225325","wikidata":"https://www.wikidata.org/wiki/Q11456","display_name":"Semiconductor","level":2,"score":0.7229287624359131},{"id":"https://openalex.org/C155011858","wikidata":"https://www.wikidata.org/wiki/Q3036449","display_name":"Perovskite (structure)","level":2,"score":0.6425352096557617},{"id":"https://openalex.org/C193154288","wikidata":"https://www.wikidata.org/wiki/Q959336","display_name":"Direct and indirect band gaps","level":3,"score":0.6024636626243591},{"id":"https://openalex.org/C171560689","wikidata":"https://www.wikidata.org/wiki/Q193086","display_name":"Halide","level":2,"score":0.5529680848121643},{"id":"https://openalex.org/C3288061","wikidata":"https://www.wikidata.org/wiki/Q161064","display_name":"Enthalpy","level":2,"score":0.502465009689331},{"id":"https://openalex.org/C125287762","wikidata":"https://www.wikidata.org/wiki/Q1758948","display_name":"Absorption (acoustics)","level":2,"score":0.48690903186798096},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.46918296813964844},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.45173487067222595},{"id":"https://openalex.org/C2780824857","wikidata":"https://www.wikidata.org/wiki/Q58803","display_name":"Solar cell","level":2,"score":0.4465809762477875},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.288012832403183},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.26261281967163086},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.17402446269989014},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.1291293203830719},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.1159433126449585},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.mtcomm.2021.102180","doi":"https://doi.org/10.1016/j.mtcomm.2021.102180","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.mtcomm.2021.102180","pdf_url":null,"source":{"id":"https://openalex.org/S2765035490","display_name":"Materials Today Communications","issn_l":"2352-4928","issn":["2352-4928"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Materials Today Communications","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.75,"display_name":"Affordable and clean energy"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G4656566069","display_name":null,"funder_award_id":"11164004","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321927","display_name":"Guizhou University","ror":"https://ror.org/02wmsc916"},{"id":"https://openalex.org/F4320322272","display_name":"Guizhou Science and Technology Department","ror":"https://ror.org/00kwnh405"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W1981368803","https://openalex.org/W1984359813","https://openalex.org/W1986147552","https://openalex.org/W1999271866","https://openalex.org/W2004318959","https://openalex.org/W2005631912","https://openalex.org/W2008466385","https://openalex.org/W2016168218","https://openalex.org/W2016325227","https://openalex.org/W2057327293","https://openalex.org/W2070668254","https://openalex.org/W2073531811","https://openalex.org/W2087585288","https://openalex.org/W2103763354","https://openalex.org/W2134917423","https://openalex.org/W2154001996","https://openalex.org/W2159752439","https://openalex.org/W2321973456","https://openalex.org/W2442227477","https://openalex.org/W2506434025","https://openalex.org/W2582410691","https://openalex.org/W2586112923","https://openalex.org/W2606866881","https://openalex.org/W2727106016","https://openalex.org/W2765845399","https://openalex.org/W2777820405","https://openalex.org/W2791210255","https://openalex.org/W2882995770","https://openalex.org/W2891146712","https://openalex.org/W2899022410","https://openalex.org/W2942395742","https://openalex.org/W2957885208","https://openalex.org/W2969298455","https://openalex.org/W2969910609","https://openalex.org/W2972626402","https://openalex.org/W3007072650","https://openalex.org/W3007249447","https://openalex.org/W3025086410","https://openalex.org/W3040947275","https://openalex.org/W3042669104","https://openalex.org/W3089201835","https://openalex.org/W3091813824","https://openalex.org/W3092224885"],"related_works":["https://openalex.org/W3188181693","https://openalex.org/W4282914035","https://openalex.org/W4318340557","https://openalex.org/W4414481336","https://openalex.org/W3163041874","https://openalex.org/W7164584883","https://openalex.org/W7153142202","https://openalex.org/W7125421434","https://openalex.org/W4311756737","https://openalex.org/W4377245796"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":2}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2021-03-01T00:00:00"}
