{"id":"https://openalex.org/W7221006757","doi":"https://doi.org/10.48550/arxiv.2610.10028","title":"Solphin: Photovoltaic efficiency analysis for bulk materials using Python","display_name":"Solphin: Photovoltaic efficiency analysis for bulk materials using Python","publication_year":2026,"publication_date":"2026-10-07","ids":{"openalex":"https://openalex.org/W7221006757","doi":"https://doi.org/10.48550/arxiv.2610.10028"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2610.10028","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.10028","pdf_url":"https://arxiv.org/pdf/2610.10028","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"volume":null,"type":"preprint","indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2610.10028","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5035496721","display_name":"Philippa U. Cox","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I79619799","display_name":"University of Birmingham","ror":"https://ror.org/03angcq70","country_code":"GB","type":"education","lineage":["https://openalex.org/I79619799"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Cox, Philippa U","raw_affiliation_strings":["School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK","institution_ids":["https://openalex.org/I79619799"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5157980775","display_name":"Peter P Russell","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I79619799","display_name":"University of Birmingham","ror":"https://ror.org/03angcq70","country_code":"GB","type":"education","lineage":["https://openalex.org/I79619799"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Russell, Peter P","raw_affiliation_strings":["School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK","institution_ids":["https://openalex.org/I79619799"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027722234","display_name":"Andrea Crovetto","orcid":"https://orcid.org/0000-0003-1499-8740","observed_orcids":["https://orcid.org/0000-0003-1499-8740"]},"institutions":[{"id":"https://openalex.org/I96673099","display_name":"Technical University of Denmark","ror":"https://ror.org/04qtj9h94","country_code":"DK","type":"education","lineage":["https://openalex.org/I96673099"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Crovetto, Andrea","raw_affiliation_strings":["DTU Nanolab , Technical University of Denmark , DK-2800 Kgs. Lyngby , Denmark"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"DTU Nanolab , Technical University of Denmark , DK-2800 Kgs. Lyngby , Denmark","institution_ids":["https://openalex.org/I96673099"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009903076","display_name":"Alexander G. Squires","orcid":"https://orcid.org/0000-0001-6967-3690","observed_orcids":["https://orcid.org/0000-0001-6967-3690"]},"institutions":[{"id":"https://openalex.org/I79619799","display_name":"University of Birmingham","ror":"https://ror.org/03angcq70","country_code":"GB","type":"education","lineage":["https://openalex.org/I79619799"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Squires, Alexander G","raw_affiliation_strings":["School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK","institution_ids":["https://openalex.org/I79619799"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084215389","display_name":"Louie Slocombe","orcid":"https://orcid.org/0000-0002-6986-5526","observed_orcids":["https://orcid.org/0000-0002-6986-5526"]},"institutions":[{"id":"https://openalex.org/I79619799","display_name":"University of Birmingham","ror":"https://ror.org/03angcq70","country_code":"GB","type":"education","lineage":["https://openalex.org/I79619799"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Slocombe, Louie","raw_affiliation_strings":["School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK","institution_ids":["https://openalex.org/I79619799"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5017503270","display_name":"David O. Scanlon","orcid":"https://orcid.org/0000-0001-9174-8601","observed_orcids":["https://orcid.org/0000-0001-9174-8601"]},"institutions":[{"id":"https://openalex.org/I79619799","display_name":"University of Birmingham","ror":"https://ror.org/03angcq70","country_code":"GB","type":"education","lineage":["https://openalex.org/I79619799"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Scanlon, David O","raw_affiliation_strings":["School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemistry , University of Birmingham , Edgbaston , Birmingham , B15 2TT , UK","institution_ids":["https://openalex.org/I79619799"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.42260000109672546,"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"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.42260000109672546,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.3125,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10024","display_name":"TiO2 Photocatalysis and Solar Cells","score":0.07919999957084656,"subfield":{"id":"https://openalex.org/subfields/2105","display_name":"Renewable Energy, Sustainability and the Environment"},"field":{"id":"https://openalex.org/fields/21","display_name":"Energy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/solar-cell-efficiency","display_name":"solar cell efficiency","score":0.9229999780654907},{"id":"https://openalex.org/keywords/photovoltaic-materials","display_name":"photovoltaic materials","score":0.671999990940094},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"density functional theory","score":0.7919999957084656},{"id":"https://openalex.org/keywords/detailed-balance","display_name":"detailed balance","score":0.9139999747276306},{"id":"https://openalex.org/keywords/spectroscopic-limited-maximum-efficiency","display_name":"spectroscopic limited maximum efficiency","score":0.8939999938011169},{"id":"https://openalex.org/keywords/computational-materials-discovery","display_name":"computational materials discovery","score":0.5460000038146973},{"id":"https://openalex.org/keywords/reproducibility","display_name":"reproducibility","score":0.9279999732971191}],"concepts":[{"id":"https://openalex.org/C41291067","wikidata":"https://www.wikidata.org/wiki/Q1897785","display_name":"Photovoltaic system","level":2,"score":0.9124000072479248},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.7077000141143799},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4715000092983246},{"id":"https://openalex.org/C24326235","wikidata":"https://www.wikidata.org/wiki/Q126095","display_name":"Electronic engineering","level":1,"score":0.3628000020980835},{"id":"https://openalex.org/C61696701","wikidata":"https://www.wikidata.org/wiki/Q770766","display_name":"Engineering physics","level":1,"score":0.35580000281333923},{"id":"https://openalex.org/C107814960","wikidata":"https://www.wikidata.org/wiki/Q611957","display_name":"Solid-state","level":2,"score":0.3465000092983246},{"id":"https://openalex.org/C542589376","wikidata":"https://www.wikidata.org/wiki/Q192127","display_name":"Photovoltaics","level":3,"score":0.3089999854564667},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.29260000586509705},{"id":"https://openalex.org/C9893847","wikidata":"https://www.wikidata.org/wiki/Q1425625","display_name":"Reproducibility","level":2,"score":0.2800000011920929},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.2775000035762787},{"id":"https://openalex.org/C206991015","wikidata":"https://www.wikidata.org/wiki/Q192704","display_name":"Energy conversion efficiency","level":2,"score":0.27250000834465027},{"id":"https://openalex.org/C135694725","wikidata":"https://www.wikidata.org/wiki/Q1201087","display_name":"Detailed balance","level":2,"score":0.2694000005722046},{"id":"https://openalex.org/C200601418","wikidata":"https://www.wikidata.org/wiki/Q2193887","display_name":"Reliability engineering","level":1,"score":0.26260000467300415}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2610.10028","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.10028","pdf_url":"https://arxiv.org/pdf/2610.10028","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"doi:10.48550/arxiv.2610.10028","doi":"https://doi.org/10.48550/arxiv.2610.10028","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2610.10028","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2610.10028","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2610.10028","pdf_url":"https://arxiv.org/pdf/2610.10028","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy","score":0.9853000044822693}],"study_designs":[],"awards":[{"id":"https://openalex.org/G1092343410","display_name":null,"funder_award_id":"EP/W032260/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G121084387","display_name":null,"funder_award_id":"EP/L000202","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G1358014364","display_name":null,"funder_award_id":"EP/T022213/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G1841858939","display_name":null,"funder_award_id":"(EP/L000202)","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G2158296250","display_name":null,"funder_award_id":"EP/T022108/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G276469594","display_name":null,"funder_award_id":"EP/R029431","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G2984190673","display_name":null,"funder_award_id":"EP/R029431","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G3083298881","display_name":null,"funder_award_id":"EP/Y019504/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G3097371179","display_name":"The Materials and Molecular Modelling Hub","funder_award_id":"EP/T022213/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G340479512","display_name":null,"funder_award_id":"EP/T022108/","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G3442159945","display_name":null,"funder_award_id":"EP/T022213","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G3560160643","display_name":null,"funder_award_id":"EP/T022221/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G3718058792","display_name":"Sulis: An EPSRC platform for ensemble computing delivered by HPC Midlands+","funder_award_id":"EP/T022108/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G4024150276","display_name":null,"funder_award_id":"EP/P020194","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G417250887","display_name":null,"funder_award_id":"EP/P020194","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G5162638890","display_name":"Baskerville 2.0: Enhanced Provision for High End and On-Demand Users","funder_award_id":"EP/W032244/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G5438572437","display_name":null,"funder_award_id":"EP/P020194/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G563088842","display_name":null,"funder_award_id":"EP/T022108/1","funder_id":"https://openalex.org/F4320320279","funder_display_name":"University of Warwick"},{"id":"https://openalex.org/G6496530555","display_name":"Post Transition Metal Oxides for Optoelectronic Applications (PRAETORIAN)","funder_award_id":"EP/Y019504/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G694098485","display_name":null,"funder_award_id":"EP/W032244/1","funder_id":"https://openalex.org/F4320314731","funder_display_name":"UK Research and Innovation"},{"id":"https://openalex.org/G6958085474","display_name":"Baskerville: a national accelerated compute resource","funder_award_id":"EP/T022221/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G7206964577","display_name":"Tier 2 Hub in Materials and Molecular Modelling","funder_award_id":"EP/P020194/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G8766352930","display_name":"Introducing heterogeneous HPC solutions to UK's MMM community","funder_award_id":"EP/W032260/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G8997374688","display_name":null,"funder_award_id":"EP/W032260","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G90098195","display_name":null,"funder_award_id":"EP/T022213","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"}],"funders":[{"id":"https://openalex.org/F4320314707","display_name":"Government of the United Kingdom","ror":"https://ror.org/05wnh3t63"},{"id":"https://openalex.org/F4320314731","display_name":"UK Research and Innovation","ror":"https://ror.org/001aqnf71"},{"id":"https://openalex.org/F4320320279","display_name":"University of Warwick","ror":"https://ror.org/01a77tt86"},{"id":"https://openalex.org/F4320334322","display_name":"HORIZON EUROPE Framework Programme","ror":null},{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7221006757.pdf","grobid_xml":"https://content.openalex.org/works/W7221006757.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W6990343704","https://openalex.org/W4395443335","https://openalex.org/W2942548445","https://openalex.org/W6995732310","https://openalex.org/W2625930096","https://openalex.org/W7214340163","https://openalex.org/W3026506928","https://openalex.org/W598037959","https://openalex.org/W2752975809","https://openalex.org/W7008844101"],"abstract_inverted_index":{"In":[0],"the":[1,15,45,62,66,88,95],"development":[2],"of":[3,19,50,69,93,98],"photovoltaic":[4,51,67,96],"materials,":[5,22],"computational":[6],"simulation":[7],"has":[8,83],"become":[9],"a":[10,41,99],"important":[11],"tool":[12],"for":[13,44],"reducing":[14],"time":[16],"and":[17,48,73,91,104],"cost":[18],"exploring":[20],"novel":[21],"as":[23,25],"well":[24],"providing":[26],"insights":[27],"that":[28],"help":[29],"drive":[30],"improvements":[31],"in":[32,101],"efficiency":[33],"through":[34],"increasing":[35],"fundamental":[36],"understanding.":[37],"We":[38,60],"present":[39],"Solphin,":[40],"Python":[42],"package":[43],"generation,":[46],"post-processing":[47],"analysis":[49,80],"calculations":[52],"from":[53],"periodic":[54],"solid":[55],"state":[56],"Density":[57],"Functional":[58],"Theory.":[59],"include":[61],"ability":[63],"to":[64,86],"calculate":[65],"Figure":[68],"Merit,":[70],"detailed":[71],"balance":[72],"spectroscopic":[74],"limited":[75],"maximum":[76],"efficiency,":[77],"alongside":[78],"other":[79],"methods.":[81],"Solphin":[82],"been":[84],"built":[85],"improve":[87],"access,":[89],"reproducibility":[90],"ease":[92],"evaluating":[94],"potential":[97],"material":[100],"an":[102],"efficient":[103],"user-friendly":[105],"manner.":[106]},"counts_by_year":[],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2026-10-09T00:00:00"}