{"id":"https://openalex.org/W2033330146","doi":"https://doi.org/10.1016/j.saa.2010.04.021","title":"Quantum chemistry calculations of 3-Phenoxyphthalonitrile dye sensitizer for solar cells","display_name":"Quantum chemistry calculations of 3-Phenoxyphthalonitrile dye sensitizer for solar cells","publication_year":2010,"publication_date":"2010-04-23","ids":{"openalex":"https://openalex.org/W2033330146","doi":"https://doi.org/10.1016/j.saa.2010.04.021","mag":"2033330146","pmid":"https://pubmed.ncbi.nlm.nih.gov/20537937"},"language":"en","primary_location":{"id":"doi:10.1016/j.saa.2010.04.021","doi":"https://doi.org/10.1016/j.saa.2010.04.021","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.saa.2010.04.021","pdf_url":null,"source":{"id":"https://openalex.org/S96873385","display_name":"Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy","issn_l":"1386-1425","issn":["1386-1425","1873-3557"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"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":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"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/A5029368995","display_name":"P. Senthil Kumar","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I141431873","display_name":"Periyar University","ror":"https://ror.org/05crs8s98","country_code":"IN","type":"education","lineage":["https://openalex.org/I141431873"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"P. Senthil Kumar","raw_affiliation_strings":["Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India","institution_ids":["https://openalex.org/I141431873"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032081563","display_name":"K. Vasudevan","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I141431873","display_name":"Periyar University","ror":"https://ror.org/05crs8s98","country_code":"IN","type":"education","lineage":["https://openalex.org/I141431873"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"K. Vasudevan","raw_affiliation_strings":["Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India","institution_ids":["https://openalex.org/I141431873"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053486647","display_name":"Annamalai Prakasam","orcid":"https://orcid.org/0000-0002-9134-4698","observed_orcids":["https://orcid.org/0000-0002-9134-4698"]},"institutions":[{"id":"https://openalex.org/I141431873","display_name":"Periyar University","ror":"https://ror.org/05crs8s98","country_code":"IN","type":"education","lineage":["https://openalex.org/I141431873"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"A. Prakasam","raw_affiliation_strings":["Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India","institution_ids":["https://openalex.org/I141431873"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075214126","display_name":"M. Geetha","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I141431873","display_name":"Periyar University","ror":"https://ror.org/05crs8s98","country_code":"IN","type":"education","lineage":["https://openalex.org/I141431873"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"M. Geetha","raw_affiliation_strings":["Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India","institution_ids":["https://openalex.org/I141431873"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5056066722","display_name":"Ponnusamy Munusamy Anbarasan","orcid":"https://orcid.org/0000-0002-2210-448X","observed_orcids":["https://orcid.org/0000-0002-2210-448X"]},"institutions":[{"id":"https://openalex.org/I141431873","display_name":"Periyar University","ror":"https://ror.org/05crs8s98","country_code":"IN","type":"education","lineage":["https://openalex.org/I141431873"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"P.M. Anbarasan","raw_affiliation_strings":["Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Periyar University, Salem 636 011, Tamilnadu, India","institution_ids":["https://openalex.org/I141431873"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5056066722"],"corresponding_institution_ids":["https://openalex.org/I141431873"],"apc_list":{"value":3750,"currency":"USD","value_usd":3750},"apc_paid":null,"fwci":3.9905,"has_fulltext":false,"cited_by_count":84,"citation_normalized_percentile":{"value":0.93189674,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"77","issue":"1","first_page":"45","last_page":"50"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10024","display_name":"TiO2 Photocatalysis and Solar Cells","score":0.9096999764442444,"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":0.9096999764442444,"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/T11025","display_name":"Nonlinear Optical Materials Research","score":0.054099999368190765,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.027499999850988388,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/dye-sensitized-solar-cells","display_name":"dye-sensitized solar cells","score":0.8579999804496765},{"id":"https://openalex.org/keywords/sensitizing-dyes","display_name":"dye sensitizers","score":0.8169999718666077},{"id":"https://openalex.org/keywords/electronic-absorption-spectra","display_name":"electronic absorption spectra","score":0.8199999928474426},{"id":"https://openalex.org/keywords/pi-pi-transition","display_name":"\u03c0\u2192\u03c0* transitions","score":0.9139999747276306},{"id":"https://openalex.org/keywords/excited-states","display_name":"excited states","score":0.9100000262260437},{"id":"https://openalex.org/keywords/photoinduced-electron-transfer","display_name":"photoinduced electron transfer","score":0.8859999775886536},{"id":"https://openalex.org/keywords/electron-injection","display_name":"electron injection","score":0.6819999814033508},{"id":"https://openalex.org/keywords/polarizability","display_name":"polarizability","score":0.8159999847412109},{"id":"https://openalex.org/keywords/hyperpolarizability","display_name":"hyperpolarizability","score":0.9549999833106995},{"id":"https://openalex.org/keywords/molecular-geometry","display_name":"molecular geometry","score":0.7789999842643738}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.8022058010101318},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.7588753700256348},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7008591890335083},{"id":"https://openalex.org/C19329426","wikidata":"https://www.wikidata.org/wiki/Q3537671","display_name":"Atomic electron transition","level":3,"score":0.5881410837173462},{"id":"https://openalex.org/C119824511","wikidata":"https://www.wikidata.org/wiki/Q13553575","display_name":"Absorption spectroscopy","level":2,"score":0.5525981783866882},{"id":"https://openalex.org/C20853536","wikidata":"https://www.wikidata.org/wiki/Q4120992","display_name":"Time-dependent density functional theory","level":3,"score":0.5021226406097412},{"id":"https://openalex.org/C108225325","wikidata":"https://www.wikidata.org/wiki/Q11456","display_name":"Semiconductor","level":2,"score":0.5019805431365967},{"id":"https://openalex.org/C22693506","wikidata":"https://www.wikidata.org/wiki/Q3075290","display_name":"Hybrid functional","level":3,"score":0.5000793933868408},{"id":"https://openalex.org/C123669783","wikidata":"https://www.wikidata.org/wiki/Q902898","display_name":"Electron transfer","level":2,"score":0.4911067485809326},{"id":"https://openalex.org/C125287762","wikidata":"https://www.wikidata.org/wiki/Q1758948","display_name":"Absorption (acoustics)","level":2,"score":0.4820185899734497},{"id":"https://openalex.org/C104663316","wikidata":"https://www.wikidata.org/wiki/Q76299","display_name":"Visible spectrum","level":2,"score":0.47183898091316223},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.46429356932640076},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.42907002568244934},{"id":"https://openalex.org/C2781018080","wikidata":"https://www.wikidata.org/wiki/Q7187813","display_name":"Photoinduced electron transfer","level":3,"score":0.4269999861717224},{"id":"https://openalex.org/C2776798109","wikidata":"https://www.wikidata.org/wiki/Q11391","display_name":"Ultraviolet","level":2,"score":0.41626566648483276},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.3563438653945923},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.3495821952819824},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.34709328413009644},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.23759961128234863},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.23190510272979736},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.23135125637054443},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.08443751931190491},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.06915605068206787},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004396","descriptor_name":"Coloring Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009570","descriptor_name":"Nitriles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013059","descriptor_name":"Spectrum Analysis, Raman","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017319","descriptor_name":"Photosensitizing Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D017550","descriptor_name":"Spectroscopy, Fourier Transform Infrared","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.saa.2010.04.021","doi":"https://doi.org/10.1016/j.saa.2010.04.021","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.saa.2010.04.021","pdf_url":null,"source":{"id":"https://openalex.org/S96873385","display_name":"Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy","issn_l":"1386-1425","issn":["1386-1425","1873-3557"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"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":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","raw_type":"journal-article"},{"id":"pmid:20537937","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20537937","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":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320320767","display_name":"University Grants Commission","ror":"https://ror.org/04p800546"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W1974943505","https://openalex.org/W1980216394","https://openalex.org/W1982439588","https://openalex.org/W1984614201","https://openalex.org/W1984972618","https://openalex.org/W1988634772","https://openalex.org/W1990926557","https://openalex.org/W1991316042","https://openalex.org/W1991980035","https://openalex.org/W1996829882","https://openalex.org/W2005669244","https://openalex.org/W2008156676","https://openalex.org/W2022066716","https://openalex.org/W2023271753","https://openalex.org/W2028254009","https://openalex.org/W2029151900","https://openalex.org/W2032151329","https://openalex.org/W2038745661","https://openalex.org/W2039559098","https://openalex.org/W2042674493","https://openalex.org/W2045556326","https://openalex.org/W2054430355","https://openalex.org/W2058848030","https://openalex.org/W2063101799","https://openalex.org/W2063711078","https://openalex.org/W2072181067","https://openalex.org/W2073011376","https://openalex.org/W2079450691","https://openalex.org/W2103189707","https://openalex.org/W2109315540","https://openalex.org/W2110438191","https://openalex.org/W2121044271","https://openalex.org/W2124552112","https://openalex.org/W2129393371","https://openalex.org/W2130101939","https://openalex.org/W2143981217","https://openalex.org/W2147979549","https://openalex.org/W2158518781","https://openalex.org/W3032039037","https://openalex.org/W4241456496","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2068236494","https://openalex.org/W2072937489","https://openalex.org/W278643064","https://openalex.org/W2011237834","https://openalex.org/W2047610145","https://openalex.org/W1991941083","https://openalex.org/W1989084856","https://openalex.org/W871924408","https://openalex.org/W2594761728","https://openalex.org/W1608010238"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":11},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":10},{"year":2013,"cited_by_count":11},{"year":2012,"cited_by_count":9}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}