{"id":"https://openalex.org/W4386935829","doi":"https://doi.org/10.1016/j.chphi.2023.100318","title":"A facile detection of ethanol by the Be/Mg/Ca-enhanced fullerenes: Insights from density functional theory","display_name":"A facile detection of ethanol by the Be/Mg/Ca-enhanced fullerenes: Insights from density functional theory","publication_year":2023,"publication_date":"2023-09-21","ids":{"openalex":"https://openalex.org/W4386935829","doi":"https://doi.org/10.1016/j.chphi.2023.100318"},"language":"en","primary_location":{"id":"doi:10.1016/j.chphi.2023.100318","doi":"https://doi.org/10.1016/j.chphi.2023.100318","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.chphi.2023.100318","pdf_url":null,"source":{"id":"https://openalex.org/S4210212133","display_name":"Chemical Physics Impact","issn_l":"2667-0224","issn":["2667-0224"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","jufo-1","norway-1","oarl","poland-20"],"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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Impact","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1016/j.chphi.2023.100318","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5092848824","display_name":"Farzad Toiserkani","orcid":"https://orcid.org/0009-0006-5752-8510","observed_orcids":["https://orcid.org/0009-0006-5752-8510"]},"institutions":[{"id":"https://openalex.org/I110152177","display_name":"University of Akron","ror":"https://ror.org/02kyckx55","country_code":"US","type":"education","lineage":["https://openalex.org/I110152177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"F. Toiserkani","raw_affiliation_strings":["School of Polymer Science and Polymer Engineering, The University of Akron, Akron, Ohio, 44325, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Polymer Science and Polymer Engineering, The University of Akron, Akron, Ohio, 44325, United States","institution_ids":["https://openalex.org/I110152177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084498970","display_name":"M. Mirzaei","orcid":"https://orcid.org/0009-0004-4915-9482","observed_orcids":["https://orcid.org/0009-0004-4915-9482"]},"institutions":[{"id":"https://openalex.org/I4210132115","display_name":"Tarsus University","ror":"https://ror.org/0397szj42","country_code":"TR","type":"education","lineage":["https://openalex.org/I4210132115"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"M. Mirzaei","raw_affiliation_strings":["Laboratory of Molecular Computations (LMC), Department of Natural and Mathematical Sciences, Faculty of Engineering, Tarsus University, Tarsus, Turkiye"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Computations (LMC), Department of Natural and Mathematical Sciences, Faculty of Engineering, Tarsus University, Tarsus, Turkiye","institution_ids":["https://openalex.org/I4210132115"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067349750","display_name":"Veysel Alcan","orcid":"https://orcid.org/0000-0002-7786-8591","observed_orcids":["https://orcid.org/0000-0002-7786-8591"]},"institutions":[{"id":"https://openalex.org/I4210132115","display_name":"Tarsus University","ror":"https://ror.org/0397szj42","country_code":"TR","type":"education","lineage":["https://openalex.org/I4210132115"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"V. Alcan","raw_affiliation_strings":["Department of Electrical and Electronics Engineering, Faculty of Engineering, Tarsus University, Tarsus, Turkiye"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Electrical and Electronics Engineering, Faculty of Engineering, Tarsus University, Tarsus, Turkiye","institution_ids":["https://openalex.org/I4210132115"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038014647","display_name":"Kun Harismah","orcid":"https://orcid.org/0000-0002-8231-8164","observed_orcids":["https://orcid.org/0000-0002-8231-8164","https://orcid.org/0000-0003-1260-9393"]},"institutions":[{"id":"https://openalex.org/I3131389504","display_name":"Muhammadiyah University of Surakarta","ror":"https://ror.org/03cnmz153","country_code":"ID","type":"education","lineage":["https://openalex.org/I3131389504"]}],"countries":["ID"],"is_corresponding":true,"raw_author_name":"K. Harismah","raw_affiliation_strings":["Department of Chemical Engineering, Faculty of Engineering, Universitas Muhammadiyah Surakarta, Surakarta, Indonesia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Faculty of Engineering, Universitas Muhammadiyah Surakarta, Surakarta, Indonesia","institution_ids":["https://openalex.org/I3131389504"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5027090023","display_name":"Mounir Mohamed Salem-Bekhit","orcid":"https://orcid.org/0000-0002-8263-137X","observed_orcids":["https://orcid.org/0000-0002-8263-137X"]},"institutions":[{"id":"https://openalex.org/I28022161","display_name":"King Saud University","ror":"https://ror.org/02f81g417","country_code":"SA","type":"education","lineage":["https://openalex.org/I28022161"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"M.M. Salem-Bekhit","raw_affiliation_strings":["Department of Pharmaceutics, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutics, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia","institution_ids":["https://openalex.org/I28022161"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5038014647"],"corresponding_institution_ids":["https://openalex.org/I3131389504"],"apc_list":{"value":1000,"currency":"USD","value_usd":1000},"apc_paid":{"value":1000,"currency":"USD","value_usd":1000},"fwci":1.1677,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.72266552,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"7","issue":null,"first_page":"100318","last_page":"100318"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10956","display_name":"Fullerene Chemistry and Applications","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10956","display_name":"Fullerene Chemistry and Applications","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0012000000569969416,"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/T11341","display_name":"Boron and Carbon Nanomaterials Research","score":0.0012000000569969416,"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/ethanol-detection","display_name":"ethanol detection","score":0.9869999885559082},{"id":"https://openalex.org/keywords/c60","display_name":"C60","score":0.6169999837875366},{"id":"https://openalex.org/keywords/beryllium-doping","display_name":"beryllium doping","score":0.875},{"id":"https://openalex.org/keywords/magnesium-doping","display_name":"magnesium doping","score":1.0},{"id":"https://openalex.org/keywords/calcium-doping","display_name":"calcium doping","score":1.0},{"id":"https://openalex.org/keywords/guest-molecule-adsorption","display_name":"guest molecule adsorption","score":0.6389999985694885},{"id":"https://openalex.org/keywords/frontier-molecular-orbitals","display_name":"frontier molecular orbitals","score":0.7570000290870667},{"id":"https://openalex.org/keywords/fullerene-complexes","display_name":"fullerene complexes","score":0.4050000011920929},{"id":"https://openalex.org/keywords/alcohol-detection","display_name":"alcohol detection","score":0.5249999761581421}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.825359046459198},{"id":"https://openalex.org/C162862793","wikidata":"https://www.wikidata.org/wiki/Q178026","display_name":"Fullerene","level":2,"score":0.7660163640975952},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5494500994682312},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.5234056115150452},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4991445541381836},{"id":"https://openalex.org/C506630978","wikidata":"https://www.wikidata.org/wiki/Q569","display_name":"Beryllium","level":2,"score":0.47786515951156616},{"id":"https://openalex.org/C543218039","wikidata":"https://www.wikidata.org/wiki/Q660","display_name":"Magnesium","level":2,"score":0.4261144995689392},{"id":"https://openalex.org/C2781066024","wikidata":"https://www.wikidata.org/wiki/Q156","display_name":"Alcohol","level":2,"score":0.4135053753852844},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3577706217765808},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.33768904209136963},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2723941206932068},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.21949627995491028}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/j.chphi.2023.100318","doi":"https://doi.org/10.1016/j.chphi.2023.100318","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.chphi.2023.100318","pdf_url":null,"source":{"id":"https://openalex.org/S4210212133","display_name":"Chemical Physics Impact","issn_l":"2667-0224","issn":["2667-0224"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","jufo-1","norway-1","oarl","poland-20"],"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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Impact","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:e9b688664c8746b28d8919ea30f672d5","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/e9b688664c8746b28d8919ea30f672d5","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemical Physics Impact, Vol 7, Iss , Pp 100318- (2023)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1016/j.chphi.2023.100318","doi":"https://doi.org/10.1016/j.chphi.2023.100318","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.chphi.2023.100318","pdf_url":null,"source":{"id":"https://openalex.org/S4210212133","display_name":"Chemical Physics Impact","issn_l":"2667-0224","issn":["2667-0224"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","jufo-1","norway-1","oarl","poland-20"],"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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Impact","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G7644714351","display_name":null,"funder_award_id":"RSPD2023R986","funder_id":"https://openalex.org/F4320321145","funder_display_name":"King Saud University"}],"funders":[{"id":"https://openalex.org/F4320321145","display_name":"King Saud University","ror":"https://ror.org/02f81g417"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1653050201","https://openalex.org/W1966245448","https://openalex.org/W2086620103","https://openalex.org/W2971366898","https://openalex.org/W3039185277","https://openalex.org/W3046680210","https://openalex.org/W3209224082","https://openalex.org/W3213656710","https://openalex.org/W3215142091","https://openalex.org/W3215482452","https://openalex.org/W4205272361","https://openalex.org/W4213261753","https://openalex.org/W4221042402","https://openalex.org/W4223499718","https://openalex.org/W4224117214","https://openalex.org/W4225154626","https://openalex.org/W4246772362","https://openalex.org/W4281751066","https://openalex.org/W4281767727","https://openalex.org/W4282943516","https://openalex.org/W4283695029","https://openalex.org/W4284888301","https://openalex.org/W4292064784","https://openalex.org/W4296344387","https://openalex.org/W4297184197","https://openalex.org/W4308232469","https://openalex.org/W4321078023","https://openalex.org/W4366698350","https://openalex.org/W4386617319","https://openalex.org/W4406166222","https://openalex.org/W4406217712","https://openalex.org/W4406224263","https://openalex.org/W6838850225"],"related_works":["https://openalex.org/W4321478659","https://openalex.org/W4406215399","https://openalex.org/W3200783565","https://openalex.org/W2793783828","https://openalex.org/W3021772240","https://openalex.org/W2790347474","https://openalex.org/W4312084743","https://openalex.org/W4386415252","https://openalex.org/W4297021498","https://openalex.org/W4386617319"],"abstract_inverted_index":{"This":[0],"work":[1],"was":[2,43,126,203],"done":[3],"due":[4],"to":[5,28,58,67,89,152],"a":[6,10,37,111,154,194],"need":[7],"of":[8,14,18,40,47,73,92,103,105,113,115,123,132,148,156,158,164,181,192,197],"developing":[9,193],"facile":[11,195],"detection":[12,157,196],"platform":[13],"ethanol":[15],"(EtOH)":[16],"type":[17],"alcohol":[19],"for":[20,177],"various":[21],"reasons":[22],"from":[23],"the":[24,29,48,71,77,90,116,121,129,135,142,162,179,190,200],"police":[25],"uses":[26],"up":[27],"medical":[30],"and":[31,53,65,81,107,138],"industrial":[32],"uses.":[33],"To":[34],"this":[35],"aim,":[36],"representative":[38],"model":[39],"fullerene":[41],"(FULL)":[42],"doped":[44,117],"by":[45,110,161,170,199],"each":[46],"beryllium":[49],"(Be),":[50],"magnesium":[51],"(Mg),":[52],"calcium":[54],"(Ca)":[55],"alkali-earth":[56],"atoms":[57],"produce":[59],"MFULL":[60],"counterparts":[61],"including":[62],"BeFULL,":[63],"MgFULL,":[64],"CaFULL":[66],"be":[68],"examined":[69],"towards":[70],"adsorption":[72],"EtOH":[74,160,198],"substance.":[75],"Accordingly,":[76,189],"models":[78],"were":[79,85,168],"stabilized":[80],"their":[82],"structural":[83],"features":[84,144],"evaluated":[86],"in":[87,119],"addition":[88],"evaluation":[91],"electronic":[93,143,187],"based":[94],"frontier":[95],"molecular":[96,149],"orbital":[97,150],"features.":[98,188],"The":[99],"results":[100,167],"showed":[101],"possibility":[102],"formation":[104,114,122],"EtOH@FULL":[106],"EtOH@MFULL":[108,182],"complexes":[109,183],"priority":[112],"models,":[118],"which":[120],"EtOH@BeFULL":[124],"complex":[125],"found":[127,169],"at":[128],"highest":[130],"level":[131],"suitability":[133],"regarding":[134],"energy":[136],"terms":[137],"integration":[139],"details.":[140],"Subsequently,":[141],"indicated":[145],"measurable":[146,186],"variation":[147],"levels":[151],"approach":[153],"point":[155],"adsorbed":[159],"assistance":[163],"fullerenes.":[165],"Meaningful":[166],"performing":[171],"density":[172],"functional":[173],"theory":[174],"(DFT)":[175],"calculations":[176],"showing":[178],"stability":[180],"besides":[184],"evaluating":[185],"idea":[191],"Be/Mg/Ca-enhanced":[201],"fullerenes":[202],"affirmed.":[204]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":4}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2023-09-22T00:00:00"}
