{"id":"https://openalex.org/W4200217654","doi":"https://doi.org/10.1016/j.comptc.2021.113573","title":"Potential application of Al and Si doped carbon nanotubes for metronidazole detection: A theoretical study","display_name":"Potential application of Al and Si doped carbon nanotubes for metronidazole detection: A theoretical study","publication_year":2021,"publication_date":"2021-12-30","ids":{"openalex":"https://openalex.org/W4200217654","doi":"https://doi.org/10.1016/j.comptc.2021.113573"},"language":"en","primary_location":{"id":"doi:10.1016/j.comptc.2021.113573","doi":"https://doi.org/10.1016/j.comptc.2021.113573","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.comptc.2021.113573","pdf_url":null,"source":{"id":"https://openalex.org/S137947318","display_name":"Computational and Theoretical Chemistry","issn_l":"2210-271X","issn":["2210-271X","2210-2728"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-40","russia-white-list-3"],"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":"Computational and Theoretical Chemistry","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/A5035437476","display_name":"Mahboobeh Salehpour","orcid":"https://orcid.org/0000-0001-7129-3144","observed_orcids":["https://orcid.org/0000-0001-7129-3144"]},"institutions":[{"id":"https://openalex.org/I4210127412","display_name":"Islamic Azad University, Omidiyeh Branch","ror":"https://ror.org/032syc365","country_code":"IR","type":"education","lineage":["https://openalex.org/I110525433","https://openalex.org/I4210127412"]}],"countries":["IR"],"is_corresponding":true,"raw_author_name":"Mahboobeh Salehpour","raw_affiliation_strings":["Department of Chemistry, Omidiyeh Branch, Islamic Azad University, Omidiyeh, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Omidiyeh Branch, Islamic Azad University, Omidiyeh, Iran","institution_ids":["https://openalex.org/I4210127412"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058607276","display_name":"Zohreh Saadati","orcid":"https://orcid.org/0000-0001-7246-7644","observed_orcids":["https://orcid.org/0000-0001-7246-7644"]},"institutions":[{"id":"https://openalex.org/I4210127412","display_name":"Islamic Azad University, Omidiyeh Branch","ror":"https://ror.org/032syc365","country_code":"IR","type":"education","lineage":["https://openalex.org/I110525433","https://openalex.org/I4210127412"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Zohreh Saadati","raw_affiliation_strings":["Department of Chemistry, Omidiyeh Branch, Islamic Azad University, Omidiyeh, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Omidiyeh Branch, Islamic Azad University, Omidiyeh, Iran","institution_ids":["https://openalex.org/I4210127412"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046260693","display_name":"Lida Asadi","orcid":"https://orcid.org/0000-0003-4565-6823","observed_orcids":["https://orcid.org/0000-0003-4565-6823"]},"institutions":[{"id":"https://openalex.org/I4210127412","display_name":"Islamic Azad University, Omidiyeh Branch","ror":"https://ror.org/032syc365","country_code":"IR","type":"education","lineage":["https://openalex.org/I110525433","https://openalex.org/I4210127412"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Lida Asadi","raw_affiliation_strings":["Department of Chemistry, Omidiyeh Branch, Islamic Azad University, Omidiyeh, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Omidiyeh Branch, Islamic Azad University, Omidiyeh, Iran","institution_ids":["https://openalex.org/I4210127412"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5035437476"],"corresponding_institution_ids":["https://openalex.org/I4210127412"],"apc_list":{"value":3280,"currency":"USD","value_usd":3280},"apc_paid":null,"fwci":0.7535,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.5873214,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":97},"biblio":{"volume":"1209","issue":null,"first_page":"113573","last_page":"113573"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10212","display_name":"Electrochemical sensors and biosensors","score":0.28369998931884766,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/T10212","display_name":"Electrochemical sensors and biosensors","score":0.28369998931884766,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/T10074","display_name":"Carbon Nanotubes in Composites","score":0.25760000944137573,"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/T12627","display_name":"Graphene and Nanomaterials Applications","score":0.07150000333786011,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical 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/metronidazole","display_name":"metronidazole","score":0.9229999780654907},{"id":"https://openalex.org/keywords/single-walled-carbon-nanotubes","display_name":"single-walled carbon nanotubes","score":0.9359999895095825},{"id":"https://openalex.org/keywords/aluminum-doping","display_name":"aluminum doping","score":0.8040000200271606},{"id":"https://openalex.org/keywords/silicon-doping","display_name":"silicon doping","score":1.0},{"id":"https://openalex.org/keywords/drug-detection","display_name":"drug detection","score":0.7239999771118164},{"id":"https://openalex.org/keywords/molecular-adsorption","display_name":"molecular adsorption","score":0.8019999861717224},{"id":"https://openalex.org/keywords/binding-energy","display_name":"binding energy","score":0.7979999780654907},{"id":"https://openalex.org/keywords/homo-lumo-gap","display_name":"HOMO-LUMO gap","score":0.9459999799728394},{"id":"https://openalex.org/keywords/electronic-properties","display_name":"electronic properties","score":0.9110000133514404},{"id":"https://openalex.org/keywords/recovery-time","display_name":"recovery time","score":0.7059999704360962},{"id":"https://openalex.org/keywords/nanosensors","display_name":"nanosensors","score":0.4779999852180481}],"concepts":[{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.801483154296875},{"id":"https://openalex.org/C513720949","wikidata":"https://www.wikidata.org/wiki/Q1778729","display_name":"Carbon nanotube","level":2,"score":0.7848763465881348},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.784476637840271},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6617177724838257},{"id":"https://openalex.org/C57863236","wikidata":"https://www.wikidata.org/wiki/Q1130571","display_name":"Doping","level":2,"score":0.6292968392372131},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5664785504341125},{"id":"https://openalex.org/C14158195","wikidata":"https://www.wikidata.org/wiki/Q899637","display_name":"HOMO/LUMO","level":3,"score":0.5514614582061768},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.513421893119812},{"id":"https://openalex.org/C2777619693","wikidata":"https://www.wikidata.org/wiki/Q539430","display_name":"Nanotube","level":3,"score":0.5038928389549255},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.4924233853816986},{"id":"https://openalex.org/C140205800","wikidata":"https://www.wikidata.org/wiki/Q5860","display_name":"Carbon fibers","level":3,"score":0.4199264645576477},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.39659571647644043},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.39206039905548096},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.34548234939575195},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3299109935760498},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2277149260044098},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.13750088214874268},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0895443856716156},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.08289361000061035},{"id":"https://openalex.org/C104779481","wikidata":"https://www.wikidata.org/wiki/Q50707","display_name":"Composite number","level":2,"score":0.07381251454353333},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.06679162383079529},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.comptc.2021.113573","doi":"https://doi.org/10.1016/j.comptc.2021.113573","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.comptc.2021.113573","pdf_url":null,"source":{"id":"https://openalex.org/S137947318","display_name":"Computational and Theoretical Chemistry","issn_l":"2210-271X","issn":["2210-271X","2210-2728"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-40","russia-white-list-3"],"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":"Computational and Theoretical Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.4000000059604645,"id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":57,"referenced_works":["https://openalex.org/W1147697840","https://openalex.org/W1466182124","https://openalex.org/W1792018143","https://openalex.org/W1841286425","https://openalex.org/W1992464698","https://openalex.org/W2000850899","https://openalex.org/W2020856919","https://openalex.org/W2038601229","https://openalex.org/W2038767330","https://openalex.org/W2044763473","https://openalex.org/W2045325072","https://openalex.org/W2048141101","https://openalex.org/W2052887220","https://openalex.org/W2086422325","https://openalex.org/W2098376669","https://openalex.org/W2106824077","https://openalex.org/W2132525235","https://openalex.org/W2148941593","https://openalex.org/W2150697053","https://openalex.org/W2180821068","https://openalex.org/W2294183926","https://openalex.org/W2301264465","https://openalex.org/W2325851251","https://openalex.org/W2521967188","https://openalex.org/W2524087644","https://openalex.org/W2534749128","https://openalex.org/W2595639463","https://openalex.org/W2604806085","https://openalex.org/W2604974516","https://openalex.org/W2749815833","https://openalex.org/W2794786409","https://openalex.org/W2800667994","https://openalex.org/W2902075708","https://openalex.org/W2904411620","https://openalex.org/W2922265418","https://openalex.org/W2939547715","https://openalex.org/W2941037612","https://openalex.org/W2944315911","https://openalex.org/W2980858068","https://openalex.org/W2981378830","https://openalex.org/W2981750974","https://openalex.org/W2990112624","https://openalex.org/W2998831056","https://openalex.org/W3006105322","https://openalex.org/W3012026299","https://openalex.org/W3017240024","https://openalex.org/W3017260797","https://openalex.org/W3032413559","https://openalex.org/W3045967963","https://openalex.org/W3075267867","https://openalex.org/W3080874027","https://openalex.org/W3097377238","https://openalex.org/W3162196123","https://openalex.org/W3165479690","https://openalex.org/W3198041061","https://openalex.org/W3198205176","https://openalex.org/W4255176254"],"related_works":["https://openalex.org/W2604974516","https://openalex.org/W4402126121","https://openalex.org/W3017240024","https://openalex.org/W2742378887","https://openalex.org/W4409123156","https://openalex.org/W4319068518","https://openalex.org/W3022735886","https://openalex.org/W4315481305","https://openalex.org/W4281774199","https://openalex.org/W4294816613"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2}],"updated_date":"2026-10-22T18:32:59.640997","created_date":"2021-12-31T00:00:00"}