{"id":"https://openalex.org/W2895879547","doi":"https://doi.org/10.3390/ma11102027","title":"Photoactuated Properties of Acetylene-Congeners Non-Metallic Dyes and Molecular Design for Solar Cells","display_name":"Photoactuated Properties of Acetylene-Congeners Non-Metallic Dyes and Molecular Design for Solar Cells","publication_year":2018,"publication_date":"2018-10-18","ids":{"openalex":"https://openalex.org/W2895879547","doi":"https://doi.org/10.3390/ma11102027","mag":"2895879547","pmid":"https://pubmed.ncbi.nlm.nih.gov/30340392","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/6213635"},"language":"en","primary_location":{"id":"doi:10.3390/ma11102027","doi":"https://doi.org/10.3390/ma11102027","is_oa":true,"landing_page_url":"http://dx.doi.org/10.3390/ma11102027","pdf_url":"https://www.mdpi.com/1996-1944/11/10/2027/pdf?version=1540267229","source":{"id":"https://openalex.org/S18714766","display_name":"Materials","issn_l":"1996-1944","issn":["1996-1944"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Materials","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/1996-1944/11/10/2027/pdf?version=1540267229","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101777787","display_name":"Nan Gao","orcid":"https://orcid.org/0000-0001-8341-277X","observed_orcids":["https://orcid.org/0000-0001-8341-277X"]},"institutions":[{"id":"https://openalex.org/I47689461","display_name":"Northeast Forestry University","ror":"https://ror.org/02yxnh564","country_code":"CN","type":"education","lineage":["https://openalex.org/I47689461"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Nan Gao","raw_affiliation_strings":["College of Science, Northeast Forestry University, Harbin 150040, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Science, Northeast Forestry University, Harbin 150040, China","institution_ids":["https://openalex.org/I47689461"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056912256","display_name":"Xiaochen Lin","orcid":"https://orcid.org/0000-0003-3229-8051","observed_orcids":["https://orcid.org/0000-0003-3229-8051"]},"institutions":[{"id":"https://openalex.org/I55022517","display_name":"Heilongjiang University","ror":"https://ror.org/04zyhq975","country_code":"CN","type":"education","lineage":["https://openalex.org/I55022517"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaochen Lin","raw_affiliation_strings":["Chemical Industry and Material College, Heilongjiang University, Harbin 150080, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Industry and Material College, Heilongjiang University, Harbin 150080, China","institution_ids":["https://openalex.org/I55022517"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101844057","display_name":"Jinglin Liu","orcid":"https://orcid.org/0000-0001-6361-7380","observed_orcids":["https://orcid.org/0000-0001-6361-7380"]},"institutions":[{"id":"https://openalex.org/I151893264","display_name":"Jiamusi University","ror":"https://ror.org/01vasff55","country_code":"CN","type":"education","lineage":["https://openalex.org/I151893264"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jinglin Liu","raw_affiliation_strings":["Department of Physics, Jiamusi University, Jiamusi 154001, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Jiamusi University, Jiamusi 154001, China","institution_ids":["https://openalex.org/I151893264"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091777715","display_name":"Yuanzuo Li","orcid":"https://orcid.org/0000-0001-8530-6903","observed_orcids":["https://orcid.org/0000-0001-8530-6903","https://orcid.org/0000-0002-0881-4821"]},"institutions":[{"id":"https://openalex.org/I47689461","display_name":"Northeast Forestry University","ror":"https://ror.org/02yxnh564","country_code":"CN","type":"education","lineage":["https://openalex.org/I47689461"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yuanzuo Li","raw_affiliation_strings":["College of Science, Northeast Forestry University, Harbin 150040, China"],"raw_orcid":"https://orcid.org/0000-0001-8530-6903","affiliations":[{"raw_affiliation_string":"College of Science, Northeast Forestry University, Harbin 150040, China","institution_ids":["https://openalex.org/I47689461"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5057979028","display_name":"Yanhui Yang","orcid":"https://orcid.org/0000-0001-6470-6983","observed_orcids":["https://orcid.org/0000-0001-6470-6983"]},"institutions":[{"id":"https://openalex.org/I134687103","display_name":"Nanjing Tech University","ror":"https://ror.org/03sd35x91","country_code":"CN","type":"education","lineage":["https://openalex.org/I134687103"]},{"id":"https://openalex.org/I172675005","display_name":"Nanyang Technological University","ror":"https://ror.org/02e7b5302","country_code":"SG","type":"education","lineage":["https://openalex.org/I172675005"]},{"id":"https://openalex.org/I4210159340","display_name":"The Synergetic Innovation Center for Advanced Materials","ror":"https://ror.org/05nzc1r88","country_code":"CN","type":"facility","lineage":["https://openalex.org/I134687103","https://openalex.org/I41198531","https://openalex.org/I4210159340","https://openalex.org/I76130692","https://openalex.org/I99065089"]}],"countries":["CN","SG"],"is_corresponding":true,"raw_author_name":"Yanhui Yang","raw_affiliation_strings":["Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing 211816, China","School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 639798, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing 211816, China","institution_ids":["https://openalex.org/I134687103","https://openalex.org/I4210159340"]},{"raw_affiliation_string":"School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 639798, Singapore","institution_ids":["https://openalex.org/I172675005"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5057979028","https://openalex.org/A5091777715"],"corresponding_institution_ids":["https://openalex.org/I134687103","https://openalex.org/I172675005","https://openalex.org/I4210159340","https://openalex.org/I47689461"],"apc_list":{"value":2600,"currency":"CHF","value_usd":3137},"apc_paid":{"value":2600,"currency":"CHF","value_usd":3137},"fwci":0.0,"has_fulltext":true,"cited_by_count":2,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":95},"biblio":{"volume":"11","issue":"10","first_page":"2027","last_page":"2027"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10024","display_name":"TiO2 Photocatalysis and Solar Cells","score":0.5957000255584717,"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"}},"topics":[{"id":"https://openalex.org/T10024","display_name":"TiO2 Photocatalysis and Solar Cells","score":0.5957000255584717,"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"}},{"id":"https://openalex.org/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.3019999861717224,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10045","display_name":"Organic Electronics and Photovoltaics","score":0.06870000064373016,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/photodynamic-properties","display_name":"photodynamic properties","score":0.6430000066757202},{"id":"https://openalex.org/keywords/d-pi-a-structure","display_name":"D-\u03c0-A structure","score":0.7689999938011169},{"id":"https://openalex.org/keywords/intramolecular-charge-transfer","display_name":"intramolecular charge transfer","score":0.9589999914169312},{"id":"https://openalex.org/keywords/reorganization-energy","display_name":"reorganization energy","score":0.7519999742507935},{"id":"https://openalex.org/keywords/nbo-analysis","display_name":"natural bond orbital analysis","score":0.9369999766349792},{"id":"https://openalex.org/keywords/light-harvesting-efficiency","display_name":"light harvesting efficiency","score":0.8159999847412109},{"id":"https://openalex.org/keywords/open-circuit-voltage","display_name":"open-circuit voltage","score":0.7580000162124634},{"id":"https://openalex.org/keywords/photoelectric-conversion-efficiency","display_name":"photoelectric conversion efficiency","score":0.7400000095367432}],"concepts":[{"id":"https://openalex.org/C130188946","wikidata":"https://www.wikidata.org/wiki/Q4391470","display_name":"Natural bond orbital","level":3,"score":0.652918815612793},{"id":"https://openalex.org/C75079739","wikidata":"https://www.wikidata.org/wiki/Q1571801","display_name":"Intramolecular force","level":2,"score":0.6419854164123535},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.6191218495368958},{"id":"https://openalex.org/C99191460","wikidata":"https://www.wikidata.org/wiki/Q906725","display_name":"Oscillator strength","level":3,"score":0.6122865676879883},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6093491315841675},{"id":"https://openalex.org/C147192597","wikidata":"https://www.wikidata.org/wiki/Q483769","display_name":"Ionization energy","level":4,"score":0.5917568802833557},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.48714539408683777},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.47959768772125244},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.4784034192562103},{"id":"https://openalex.org/C2781238429","wikidata":"https://www.wikidata.org/wiki/Q5358151","display_name":"Electron affinity (data page)","level":3,"score":0.4498993158340454},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.42166996002197266},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.39266952872276306},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3885264992713928},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3522278964519501},{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.3288964629173279},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.27352380752563477},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.1691485047340393},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.10021975636482239},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09047386050224304},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"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":5,"locations":[{"id":"doi:10.3390/ma11102027","doi":"https://doi.org/10.3390/ma11102027","is_oa":true,"landing_page_url":"http://dx.doi.org/10.3390/ma11102027","pdf_url":"https://www.mdpi.com/1996-1944/11/10/2027/pdf?version=1540267229","source":{"id":"https://openalex.org/S18714766","display_name":"Materials","issn_l":"1996-1944","issn":["1996-1944"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Materials","raw_type":"journal-article"},{"id":"pmh:oai:europepmc.org:5179951","doi":null,"is_oa":true,"landing_page_url":"http://europepmc.org/pmc/articles/PMC6213635","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"","raw_type":"Text"},{"id":"pmid:30340392","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30340392","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Materials (Basel, Switzerland)","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:6213635","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC6213635/","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Materials (Basel)","raw_type":"Text"},{"id":"pmh:oai:dr.ntu.edu.sg:10356/103562","doi":null,"is_oa":true,"landing_page_url":"https://hdl.handle.net/10356/103562","pdf_url":null,"source":{"id":"https://openalex.org/S4306402609","display_name":"DR-NTU (Nanyang Technological University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I172675005","host_organization_name":"Nanyang Technological University","host_organization_lineage":["https://openalex.org/I172675005"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.3390/ma11102027","doi":"https://doi.org/10.3390/ma11102027","is_oa":true,"landing_page_url":"http://dx.doi.org/10.3390/ma11102027","pdf_url":"https://www.mdpi.com/1996-1944/11/10/2027/pdf?version=1540267229","source":{"id":"https://openalex.org/S18714766","display_name":"Materials","issn_l":"1996-1944","issn":["1996-1944"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Materials","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1015821898","display_name":null,"funder_award_id":"2016M590270","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"},{"id":"https://openalex.org/G6198668417","display_name":null,"funder_award_id":"2572018BC24","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"},{"id":"https://openalex.org/G6668677788","display_name":null,"funder_award_id":"2016M590270","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"},{"id":"https://openalex.org/G7409612769","display_name":null,"funder_award_id":"11404055 and 11374353","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7868707961","display_name":null,"funder_award_id":"LBH-Z15002","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321543","display_name":"China Postdoctoral Science Foundation","ror":"https://ror.org/0426zh255"},{"id":"https://openalex.org/F4320335787","display_name":"Fundamental Research Funds for the Central Universities","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2895879547.pdf","grobid_xml":"https://content.openalex.org/works/W2895879547.grobid-xml"},"referenced_works_count":63,"referenced_works":["https://openalex.org/W1768967549","https://openalex.org/W1965173894","https://openalex.org/W1970096300","https://openalex.org/W1976871798","https://openalex.org/W1980216394","https://openalex.org/W1980769421","https://openalex.org/W1984599229","https://openalex.org/W1984732277","https://openalex.org/W1988039215","https://openalex.org/W1990437495","https://openalex.org/W1994063627","https://openalex.org/W1995846228","https://openalex.org/W1999994318","https://openalex.org/W2000622589","https://openalex.org/W2000744992","https://openalex.org/W2005701554","https://openalex.org/W2008708918","https://openalex.org/W2011862832","https://openalex.org/W2013860455","https://openalex.org/W2019501508","https://openalex.org/W2020213670","https://openalex.org/W2023271753","https://openalex.org/W2023769866","https://openalex.org/W2026491145","https://openalex.org/W2029137635","https://openalex.org/W2029667189","https://openalex.org/W2030665791","https://openalex.org/W2031240265","https://openalex.org/W2053782439","https://openalex.org/W2054430355","https://openalex.org/W2062852634","https://openalex.org/W2063747845","https://openalex.org/W2072984581","https://openalex.org/W2082234179","https://openalex.org/W2086957099","https://openalex.org/W2087520462","https://openalex.org/W2094376917","https://openalex.org/W2116327492","https://openalex.org/W2117813821","https://openalex.org/W2120517672","https://openalex.org/W2132525235","https://openalex.org/W2137213267","https://openalex.org/W2160697401","https://openalex.org/W2164698930","https://openalex.org/W2165061658","https://openalex.org/W2333438334","https://openalex.org/W2466580416","https://openalex.org/W2469092394","https://openalex.org/W2521301196","https://openalex.org/W2521789679","https://openalex.org/W2567374731","https://openalex.org/W2572014664","https://openalex.org/W2618347464","https://openalex.org/W2625201356","https://openalex.org/W2681209552","https://openalex.org/W2735564422","https://openalex.org/W2755964397","https://openalex.org/W2760523713","https://openalex.org/W2782771788","https://openalex.org/W2787174164","https://openalex.org/W2794766351","https://openalex.org/W2795476723","https://openalex.org/W2807719556"],"related_works":["https://openalex.org/W2618347464","https://openalex.org/W3004182194","https://openalex.org/W4406642419","https://openalex.org/W2809521438","https://openalex.org/W2910305373","https://openalex.org/W4221111649","https://openalex.org/W4404330679","https://openalex.org/W3205600448","https://openalex.org/W2516933748","https://openalex.org/W2944496092"],"abstract_inverted_index":{"This":[0],"paper":[1],"theoretically":[2],"simulated":[3],"(using":[4],"DFT":[5],"and":[6,42,53,64,82,90,100,114,155,186,208,210,216,231],"TD-DFT":[7],"in":[8],"N,N-dimethylformamide":[9],"(DMF)":[10],"solvent)":[11],"the":[12,33,36,39,43,46,58,72,91,110,115,138,150,156,179,196,203,211,219],"photodynamic":[13],"properties":[14],"of":[15,48,60,172,181],"three":[16],"non-metallic":[17],"dye":[18],"molecules":[19],"with":[20],"D-\u03c0-A1-\u03c0-A2":[21],"structure.":[22],"The":[23,128,169],"total":[24],"photoelectric":[25],"conversion":[26],"efficiency":[27],"(PCE)":[28],"could":[29],"be":[30],"evaluated":[31],"by":[32,178,201],"following":[34],"parameters:":[35],"geometric":[37],"structures,":[38,41],"electronic":[40,69,225],"absorption":[44],"spectra,":[45],"analyses":[47,59],"charge":[49,106,228],"difference":[50],"density":[51],"(CDD)":[52],"natural":[54],"bond":[55],"orbitals":[56],"(NBO),":[57],"ionization":[61],"potential":[62],"(IP)":[63],"electron":[65],"affinity":[66],"(EA)":[67],"from":[68],"contribution":[70],"capacity,":[71],"reorganization":[73],"energies":[74],"(":[75,119],"\u03bb":[76,79,83],"h":[77],",":[78,81,99,137,149],"e":[80,134,143,145,147],"t":[84,86,136],"o":[85,122,125,189,192],"a":[87],"l":[88,126,193],"),":[89],"chemical":[92],"reaction":[93],"parameter":[94],"(h,":[95],"\u03c9,":[96],"\u03c9":[97,101],"\u2212":[98],"+":[102],")":[103],"for":[104],"intramolecular":[105,227],"transfer":[107,229],"(ICT)":[108],"processing,":[109],"excited":[111,157],"lifetime":[112,158],"(\u03c4)":[113,159],"vertical":[116],"dipole":[117],"moment":[118],"\u03bc":[120,187],"n":[121,132,148,188],"r":[123,144,190],"m":[124,191],").":[127],"\u2206":[129,139,182],"G":[130,140],"i":[131],"j":[133],"c":[135],"d":[141],"y":[142],"g":[146],"light":[151],"harvesting":[152],"efficiencies":[153],"(LHE)":[154],"were":[160,199],"used":[161],"to":[162,218],"explain":[163],"experimental":[164,170],"J":[165],"S":[166],"C":[167,175,184],".":[168,194],"trend":[171],"V":[173],"O":[174],"was":[176],"explained":[177],"calculation":[180],"E":[183],"B":[185],"Moreover,":[195],"15":[197],"dyes":[198],"designed":[200],"adding":[202],"electron-donor":[204],"groups":[205,213],"(\u2013OH,":[206],"\u2013NH2,":[207],"\u2013OCH3)":[209],"electron-acceptor":[212],"(\u2013CF3,":[214],"\u2013F,":[215],"\u2013CN)":[217],"LS-387":[220],"molecular":[221],"skeleton,":[222],"which":[223],"improved":[224],"contribution,":[226],"(ICT),":[230],"optoelectronic":[232],"performance.":[233]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1}],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2018-10-26T00:00:00"}