{"id":"https://openalex.org/W2126338902","doi":"https://doi.org/10.1002/jrs.4660","title":"The Raman spectrum of the \u03b3\u2032\u2010V2O5 polymorph: a combined experimental and DFT study","display_name":"The Raman spectrum of the \u03b3\u2032\u2010V2O5 polymorph: a combined experimental and DFT study","publication_year":2015,"publication_date":"2015-02-12","ids":{"openalex":"https://openalex.org/W2126338902","doi":"https://doi.org/10.1002/jrs.4660","mag":"2126338902"},"language":"en","primary_location":{"id":"doi:10.1002/jrs.4660","doi":"https://doi.org/10.1002/jrs.4660","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jrs.4660","pdf_url":null,"source":{"id":"https://openalex.org/S4206644","display_name":"Journal of Raman Spectroscopy","issn_l":"0377-0486","issn":["0377-0486","1097-4555"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Raman Spectroscopy","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/A5034041834","display_name":"Rita Baddour\u2010Hadjean","orcid":"https://orcid.org/0000-0002-3158-1851","observed_orcids":["https://orcid.org/0000-0002-3158-1851"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I197681013","display_name":"Universit\u00e9 Paris-Est Cr\u00e9teil","ror":"https://ror.org/05ggc9x40","country_code":"FR","type":"education","lineage":["https://openalex.org/I197681013","https://openalex.org/I2800365227"]},{"id":"https://openalex.org/I4210145484","display_name":"Institut de Chimie et des Mat\u00e9riaux Paris-Est","ror":"https://ror.org/04c3cen15","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I197681013","https://openalex.org/I2800365227","https://openalex.org/I4210128300","https://openalex.org/I4210145484"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Rita Baddour\u2010Hadjean","raw_affiliation_strings":["Institut de Chimie et des Mat\u00e9riaux Paris Est; ICMPE/GESMAT, UMR 7182 CNRS-Universit\u00e9 Paris Est Cr\u00e9teil, CNRS; 2 Rue Henri Dunant Thiais 94320 France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut de Chimie et des Mat\u00e9riaux Paris Est; ICMPE/GESMAT, UMR 7182 CNRS-Universit\u00e9 Paris Est Cr\u00e9teil, CNRS; 2 Rue Henri Dunant Thiais 94320 France","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I197681013","https://openalex.org/I4210145484"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048239595","display_name":"Mikhail B. Smirnov","orcid":"https://orcid.org/0000-0002-4292-1989","observed_orcids":["https://orcid.org/0000-0002-4292-1989","https://orcid.org/0000-0002-9820-9253"]},"institutions":[{"id":"https://openalex.org/I172901346","display_name":"St Petersburg University","ror":"https://ror.org/023znxa73","country_code":"RU","type":"education","lineage":["https://openalex.org/I172901346"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Mikhail B. Smirnov","raw_affiliation_strings":["Faculty of Physics; Saint Petersburg State University; Petrodvoretz Saint Petersburg 194508 Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Physics; Saint Petersburg State University; Petrodvoretz Saint Petersburg 194508 Russia","institution_ids":["https://openalex.org/I172901346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109057550","display_name":"V. Yu. Kazimirov","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I32699454","display_name":"Joint Institute for Nuclear Research","ror":"https://ror.org/044yd9t77","country_code":"RU","type":"facility","lineage":["https://openalex.org/I32699454"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"V. Yu Kazimirov","raw_affiliation_strings":["Frank Laboratory of Neutron Physics Joint Institute for Nuclear Research, Dubna 141980, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Frank Laboratory of Neutron Physics Joint Institute for Nuclear Research, Dubna 141980, Russia","institution_ids":["https://openalex.org/I32699454"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034851108","display_name":"Konstantin S. Smirnov","orcid":"https://orcid.org/0000-0002-8370-8797","observed_orcids":["https://orcid.org/0000-0002-8370-8797"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210107855","display_name":"Laboratoire de Spectroscopie pour les Interactions, la R\u00e9activit\u00e9 et l'Environnement","ror":"https://ror.org/01tv2ca73","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2279609970","https://openalex.org/I4210107855","https://openalex.org/I4210128300"]},{"id":"https://openalex.org/I4387154560","display_name":"Universit\u00e9 Lille 1","ror":"https://ror.org/040hwdc70","country_code":"FR","type":"education","lineage":["https://openalex.org/I2279609970","https://openalex.org/I4387154560"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Konstantin S. Smirnov","raw_affiliation_strings":["Laboratoire de Spectrochimie Infrarouge et Raman; UMR CNRS 8516, Universit\u00e9 Lille 1 - Sciences et Technologies; Villeneuve d'Ascq 59655 France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratoire de Spectrochimie Infrarouge et Raman; UMR CNRS 8516, Universit\u00e9 Lille 1 - Sciences et Technologies; Villeneuve d'Ascq 59655 France","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210107855","https://openalex.org/I4387154560"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5047929459","display_name":"Jean\u2010Pierre Pereira\u2010Ramos","orcid":"https://orcid.org/0000-0001-5381-900X","observed_orcids":["https://orcid.org/0000-0001-5381-900X"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I197681013","display_name":"Universit\u00e9 Paris-Est Cr\u00e9teil","ror":"https://ror.org/05ggc9x40","country_code":"FR","type":"education","lineage":["https://openalex.org/I197681013","https://openalex.org/I2800365227"]},{"id":"https://openalex.org/I4210145484","display_name":"Institut de Chimie et des Mat\u00e9riaux Paris-Est","ror":"https://ror.org/04c3cen15","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I197681013","https://openalex.org/I2800365227","https://openalex.org/I4210128300","https://openalex.org/I4210145484"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Jean\u2010Pierre Pereira\u2010Ramos","raw_affiliation_strings":["Institut de Chimie et des Mat\u00e9riaux Paris Est; ICMPE/GESMAT, UMR 7182 CNRS-Universit\u00e9 Paris Est Cr\u00e9teil, CNRS; 2 Rue Henri Dunant Thiais 94320 France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut de Chimie et des Mat\u00e9riaux Paris Est; ICMPE/GESMAT, UMR 7182 CNRS-Universit\u00e9 Paris Est Cr\u00e9teil, CNRS; 2 Rue Henri Dunant Thiais 94320 France","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I197681013","https://openalex.org/I4210145484"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5034041834"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I197681013","https://openalex.org/I4210145484"],"apc_list":{"value":4020,"currency":"USD","value_usd":4020},"apc_paid":null,"fwci":1.8336,"has_fulltext":false,"cited_by_count":67,"citation_normalized_percentile":{"value":0.851315,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"46","issue":"4","first_page":"406","last_page":"412"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11128","display_name":"Transition Metal Oxide Nanomaterials","score":0.7451000213623047,"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"}},"topics":[{"id":"https://openalex.org/T11128","display_name":"Transition Metal Oxide Nanomaterials","score":0.7451000213623047,"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/T11878","display_name":"Solid-state spectroscopy and crystallography","score":0.04540000110864639,"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/T10939","display_name":"Crystal Structures and Properties","score":0.025499999523162842,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/raman-spectra","display_name":"Raman spectra","score":0.8560000061988831},{"id":"https://openalex.org/keywords/vibrational-dynamics","display_name":"vibrational dynamics","score":0.7459999918937683},{"id":"https://openalex.org/keywords/raman-band-assignment","display_name":"Raman band assignment","score":0.7580000162124634},{"id":"https://openalex.org/keywords/chemical-oxidation-synthesis","display_name":"chemical oxidation synthesis","score":0.5929999947547913},{"id":"https://openalex.org/keywords/alpha-v2o5","display_name":"\u03b1-V2O5","score":0.8299999833106995},{"id":"https://openalex.org/keywords/liv2o5","display_name":"LiV2O5","score":0.7089999914169312},{"id":"https://openalex.org/keywords/lattice-structures","display_name":"lattice structures","score":0.5609999895095825},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"density functional theory","score":0.652999997138977}],"concepts":[{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.8523749113082886},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.46198612451553345},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.41908252239227295},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.3787693977355957},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.37409645318984985},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.37065577507019043},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.24089303612709045},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0803164541721344},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.07759690284729004}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1002/jrs.4660","doi":"https://doi.org/10.1002/jrs.4660","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jrs.4660","pdf_url":null,"source":{"id":"https://openalex.org/S4206644","display_name":"Journal of Raman Spectroscopy","issn_l":"0377-0486","issn":["0377-0486","1097-4555"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-b","jufo-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Raman Spectroscopy","raw_type":"journal-article"},{"id":"pmh:oai:HAL:hal-01174461v1","doi":null,"is_oa":false,"landing_page_url":"https://hal.science/hal-01174461","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Raman Spectroscopy, 2015, 46, pp.406 - 412. &#x27E8;10.1002/jrs.4660&#x27E9;","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:HAL:hal-03435159v1","doi":null,"is_oa":false,"landing_page_url":"https://hal.science/hal-03435159","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Raman Spectroscopy, 2015, 46 (4), pp.406-412. &#x27E8;10.1002/jrs.4660&#x27E9;","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322892","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W164713888","https://openalex.org/W1978774503","https://openalex.org/W1980473451","https://openalex.org/W1987229933","https://openalex.org/W1988130065","https://openalex.org/W1992978020","https://openalex.org/W2004710415","https://openalex.org/W2026917365","https://openalex.org/W2028848623","https://openalex.org/W2029501900","https://openalex.org/W2030347285","https://openalex.org/W2032554004","https://openalex.org/W2033710876","https://openalex.org/W2045422573","https://openalex.org/W2045596260","https://openalex.org/W2053149839","https://openalex.org/W2056150524","https://openalex.org/W2061532100","https://openalex.org/W2071848853","https://openalex.org/W2074156376","https://openalex.org/W2079841868","https://openalex.org/W2081186552","https://openalex.org/W2081455950","https://openalex.org/W2083383173","https://openalex.org/W2087519447","https://openalex.org/W2093763337","https://openalex.org/W2111780143","https://openalex.org/W2130320297","https://openalex.org/W2132216432","https://openalex.org/W2136822440","https://openalex.org/W2159752439","https://openalex.org/W2313974146","https://openalex.org/W2314741436","https://openalex.org/W2333911837","https://openalex.org/W2494690972"],"related_works":["https://openalex.org/W2884032031","https://openalex.org/W2314741436","https://openalex.org/W2081186552","https://openalex.org/W2947636537","https://openalex.org/W2510069357","https://openalex.org/W7009807314","https://openalex.org/W6998387639","https://openalex.org/W7003708128","https://openalex.org/W2061039850","https://openalex.org/W4308685820"],"abstract_inverted_index":{"Structure":[0],"and":[1,24,78,83,91],"vibrational":[2],"dynamics":[3],"of":[4,21,39,56,62,67,75,81],"\u03b3\u2032\u2010V2O5":[5,41,84],"synthesized":[6],"from":[7],"a":[8,13,59],"pristine":[9],"\u03b3\u2010LiV2O5":[10],"sample":[11],"via":[12],"chemical":[14],"oxidation":[15],"route":[16],"was":[17],"studied":[18],"by":[19],"means":[20],"Raman":[22,45,63,76,93],"spectroscopy":[23],"quantum\u2010chemical":[25],"calculations.":[26],"The":[27,43,73],"calculations":[28],"based":[29],"on":[30],"density":[31],"functional":[32],"theory":[33],"reliably":[34],"reproduce":[35],"the":[36,40,51,57],"experimental":[37,52],"structure":[38],"lattice.":[42],"calculated":[44],"spectrum":[46],"agrees":[47],"remarkably":[48],"well":[49],"with":[50],"one.":[53],"Making":[54],"use":[55],"agreement,":[58],"complete":[60],"assignment":[61],"bands":[64],"to":[65],"vibrations":[66],"particular":[68],"structural":[69,79,98],"units":[70],"is":[71],"proposed.":[72],"comparison":[74],"spectra":[77],"features":[80],"\u03b1\u2010V2O5":[82],"polymorphs":[85],"allowed":[86],"establishing":[87],"reliable":[88],"\u2018structure\u2013spectrum\u2019":[89],"correlations":[90],"identifying":[92],"peaks":[94],"characteristic":[95],"for":[96],"different":[97],"units.":[99],"Copyright":[100],"\u00a9":[101],"2015":[102],"John":[103],"Wiley":[104],"&":[105],"Sons,":[106],"Ltd.":[107]},"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":11},{"year":2022,"cited_by_count":11},{"year":2021,"cited_by_count":11},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":2}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
