{"id":"https://openalex.org/W2907815004","doi":"https://doi.org/10.1109/icsens.2018.8589699","title":"Impact of Different Ratios of Fluorine, Oxygen, and Hydroxyl Surface Terminations on Ti3C2T&lt;inf&gt;x&lt;/inf&gt; MXene as Ammonia Sensor: A First-Principles Study","display_name":"Impact of Different Ratios of Fluorine, Oxygen, and Hydroxyl Surface Terminations on Ti3C2T&lt;inf&gt;x&lt;/inf&gt; MXene as Ammonia Sensor: A First-Principles Study","publication_year":2018,"publication_date":"2018-10-01","ids":{"openalex":"https://openalex.org/W2907815004","doi":"https://doi.org/10.1109/icsens.2018.8589699","mag":"2907815004"},"language":"en","primary_location":{"id":"doi:10.1109/icsens.2018.8589699","is_oa":false,"landing_page_url":"https://doi.org/10.1109/icsens.2018.8589699","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2018 IEEE SENSORS","raw_type":"proceedings-article"},"type":"article","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/A5039299338","display_name":"S. Hajian","orcid":"https://orcid.org/0000-0002-2995-8066"},"institutions":[{"id":"https://openalex.org/I141649380","display_name":"Western Michigan University","ror":"https://ror.org/04j198w64","country_code":"US","type":"education","lineage":["https://openalex.org/I141649380"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Sajjad Hajian","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA","institution_ids":["https://openalex.org/I141649380"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039120448","display_name":"Pedram Khakbaz","orcid":"https://orcid.org/0000-0002-7794-1904"},"institutions":[{"id":"https://openalex.org/I23946033","display_name":"University of Tehran","ror":"https://ror.org/05vf56z40","country_code":"IR","type":"education","lineage":["https://openalex.org/I23946033"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Pedram Khakbaz","raw_affiliation_strings":["School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran"],"affiliations":[{"raw_affiliation_string":"School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran","institution_ids":["https://openalex.org/I23946033"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041374165","display_name":"Milad Moshayedi","orcid":"https://orcid.org/0000-0002-2150-9290"},"institutions":[{"id":"https://openalex.org/I23946033","display_name":"University of Tehran","ror":"https://ror.org/05vf56z40","country_code":"IR","type":"education","lineage":["https://openalex.org/I23946033"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Milad Moshayedi","raw_affiliation_strings":["School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran"],"affiliations":[{"raw_affiliation_string":"School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran","institution_ids":["https://openalex.org/I23946033"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033007222","display_name":"Dinesh Maddipatla","orcid":"https://orcid.org/0000-0003-2288-8779"},"institutions":[{"id":"https://openalex.org/I141649380","display_name":"Western Michigan University","ror":"https://ror.org/04j198w64","country_code":"US","type":"education","lineage":["https://openalex.org/I141649380"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dinesh Maddipatla","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA","institution_ids":["https://openalex.org/I141649380"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068600968","display_name":"Binu B. Narakathu","orcid":"https://orcid.org/0000-0002-2841-741X"},"institutions":[{"id":"https://openalex.org/I141649380","display_name":"Western Michigan University","ror":"https://ror.org/04j198w64","country_code":"US","type":"education","lineage":["https://openalex.org/I141649380"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Binu B. Narakathu","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA","institution_ids":["https://openalex.org/I141649380"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026704773","display_name":"Vikram S. Turkani","orcid":"https://orcid.org/0000-0002-2245-8560"},"institutions":[{"id":"https://openalex.org/I141649380","display_name":"Western Michigan University","ror":"https://ror.org/04j198w64","country_code":"US","type":"education","lineage":["https://openalex.org/I141649380"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Vikram S. Turkani","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA","institution_ids":["https://openalex.org/I141649380"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028074094","display_name":"Bradley J. Bazuin","orcid":"https://orcid.org/0000-0002-3638-3176"},"institutions":[{"id":"https://openalex.org/I141649380","display_name":"Western Michigan University","ror":"https://ror.org/04j198w64","country_code":"US","type":"education","lineage":["https://openalex.org/I141649380"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bradley J. Bazuin","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA","institution_ids":["https://openalex.org/I141649380"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089667595","display_name":"Mahdi Pourfath","orcid":"https://orcid.org/0000-0002-8053-578X"},"institutions":[{"id":"https://openalex.org/I23946033","display_name":"University of Tehran","ror":"https://ror.org/05vf56z40","country_code":"IR","type":"education","lineage":["https://openalex.org/I23946033"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Mahdi Pourfath","raw_affiliation_strings":["School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran"],"affiliations":[{"raw_affiliation_string":"School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran","institution_ids":["https://openalex.org/I23946033"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060873201","display_name":"Massood Z. Atashbar","orcid":"https://orcid.org/0000-0003-2981-6321"},"institutions":[{"id":"https://openalex.org/I141649380","display_name":"Western Michigan University","ror":"https://ror.org/04j198w64","country_code":"US","type":"education","lineage":["https://openalex.org/I141649380"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Massood Z. Atashbar","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Western Michigan University, Kalamazoo, USA","institution_ids":["https://openalex.org/I141649380"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5039299338"],"corresponding_institution_ids":["https://openalex.org/I141649380"],"apc_list":null,"apc_paid":null,"fwci":0.7764,"has_fulltext":false,"cited_by_count":25,"citation_normalized_percentile":{"value":0.69078896,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"4"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12046","display_name":"MXene and MAX Phase Materials","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T12046","display_name":"MXene and MAX Phase Materials","score":1.0,"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/T10275","display_name":"2D Materials and Applications","score":0.994700014591217,"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/T12808","display_name":"Ferroelectric and Negative Capacitance Devices","score":0.989300012588501,"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/stereochemistry","display_name":"Stereochemistry","score":0.3298262655735016},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.26975467801094055}],"concepts":[{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3298262655735016},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.26975467801094055}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1109/icsens.2018.8589699","is_oa":false,"landing_page_url":"https://doi.org/10.1109/icsens.2018.8589699","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2018 IEEE SENSORS","raw_type":"proceedings-article"},{"id":"pmh:oai:air.uniud.it:11390/1189569","is_oa":false,"landing_page_url":"https://ieeexplore.ieee.org/abstract/document/8589699","pdf_url":null,"source":{"id":"https://openalex.org/S4306401163","display_name":"Institutional Research Information System (University of Udine)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I129043915","host_organization_name":"University of Udine","host_organization_lineage":["https://openalex.org/I129043915"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/conferenceObject"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W643015753","https://openalex.org/W1976294475","https://openalex.org/W1979544533","https://openalex.org/W2007395042","https://openalex.org/W2012986644","https://openalex.org/W2014451195","https://openalex.org/W2017539496","https://openalex.org/W2022085321","https://openalex.org/W2036972397","https://openalex.org/W2043206028","https://openalex.org/W2050256311","https://openalex.org/W2057482427","https://openalex.org/W2067428324","https://openalex.org/W2069669584","https://openalex.org/W2083222334","https://openalex.org/W2088321686","https://openalex.org/W2092157292","https://openalex.org/W2096386935","https://openalex.org/W2096747776","https://openalex.org/W2106655797","https://openalex.org/W2110423058","https://openalex.org/W2119607070","https://openalex.org/W2149656093","https://openalex.org/W2150687058","https://openalex.org/W2171890746","https://openalex.org/W2185780818","https://openalex.org/W2236416329","https://openalex.org/W2299753553","https://openalex.org/W2318315482","https://openalex.org/W2321986967","https://openalex.org/W2382863516","https://openalex.org/W2538450317","https://openalex.org/W2574394697","https://openalex.org/W2760568872","https://openalex.org/W2785184816","https://openalex.org/W2801656130","https://openalex.org/W3106042047","https://openalex.org/W6751356082"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2255607364","https://openalex.org/W2087884338","https://openalex.org/W2038285731","https://openalex.org/W2069854611","https://openalex.org/W2015496712","https://openalex.org/W2062989619","https://openalex.org/W4255522657","https://openalex.org/W1989113224","https://openalex.org/W1996993298"],"abstract_inverted_index":{"A":[0],"first-principles":[1],"study":[2],"was":[3],"successfully":[4],"employed":[5],"to":[6,132,300,312,320],"investigate":[7],"the":[8,46,139,145,154,264,294],"impact":[9],"of":[10,13,33,101,159,184,239,249,260,267,342],"different":[11,59],"ratios":[12,183,259],"functional":[14,38,104,187],"groups":[15],"such":[16],"as":[17],"fluorine":[18,102,185,272,298,321,343],"(-F),":[19],"oxygen":[20,279,296,308],"(-O),":[21],"and":[22,54,77,83,144,181,211,242,297],"hydroxyl":[23],"(-OH)":[24],"on":[25,164,254],"ammonia":[26],"(NH":[27,61],"<sub":[28,50,62,67,73,79,85,89,93,107,111,115,119,123,134,148,161,166,170,174,190,194,198,202,206,213,217,221,225,229,251,285,302,326,330,334,352],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"":[29,51,63,68,74,80,86,90,94,108,112,116,120,124,135,149,162,167,171,175,191,195,199,203,207,214,218,222,226,230,252,286,303,327,331,335,353],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">3</sub>":[30,64,87,109,136,163,168,192,215,253,287,304,328,354],")":[31,53,82],"sensing":[32],"titanium":[34],"carbide":[35],"Mxene.":[36],"Density":[37],"theory":[39],"(DFT)":[40],"calculations":[41,128],"were":[42],"performed":[43],"for":[44,293],"studying":[45],"adsorption":[47,158,237,248],"energy":[48],"(E":[49],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">ads</sub>":[52,150],"charge":[55,268,276,291,316],"transfer":[56,277],"(CT)":[57],"between":[58],"gases":[60],",":[65,70,137],"CO":[66],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">2</sub>":[69,75,81,91,113,172,196,219,332],"NO,":[71],"H":[72],"S":[76],"SO":[78],"Ti":[84,106,165,189,212,325],"C":[88,110,169,193,216,329],"T":[92,173,333],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">x</sub>":[95,176,336],"material":[96],"with":[97,138,178,257,283,338,350],"a":[98,179,246,339,347],"high":[99,180],"ratio":[100,341],"surface":[103,186,344],"groups,":[105,188],"(OH)":[114,197,220],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">0.44</sub>":[117,200],"F":[118,201,224],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">0.88</sub>":[121,204],"O":[122,205,228],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">0.66</sub>":[125,208,223],".":[126],"DFT":[127],"showed":[129,306],"more":[130],"sensitivity":[131],"NH":[133,160,250,284,301,351],"highest":[140],"CT":[141],"(0.098":[142],"e)":[143],"lowest":[146],"E":[147],"(-0.36":[151],"eV)":[152],"among":[153],"mentioned":[155],"gases.":[156],"The":[157,289],"MXene":[177],"low":[182,258],"(Substrate":[209,232],"1)":[210],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">0.22</sub>":[227],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">1.11</sub>":[231],"2)":[233],"respectively,":[234],"resulted":[235],"in":[236],"energies":[238],"-0.36":[240],"eV":[241],"-0.49":[243],"eV,":[244],"revealing":[245],"stronger":[247,348],"Substrate":[255],"2":[256],"fluorine.":[261],"In":[262],"addition,":[263],"isosurfaces":[265],"representation":[266],"difference":[269,292],"illustrated":[270],"that":[271,307,324],"atoms":[273,280,299,309],"have":[274,310],"smaller":[275],"than":[278],"when":[281,318],"interacting":[282],"molecules.":[288,356],"Bader":[290,315],"closest":[295],"molecule":[305],"60%":[311],"180%":[313],"larger":[314],"difference,":[317],"compared":[319],"atoms,":[322],"supporting":[323],"sensor":[337],"lower":[340],"termination":[345],"has":[346],"interaction":[349],"gas":[355]},"counts_by_year":[{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2019-01-11T00:00:00"}