{"id":"https://openalex.org/W2913347644","doi":"https://doi.org/10.1002/slct.201803193","title":"The Influence of Alkali metals Interaction with Al/P\u2010Substituted BN Nanosheets on Their Electronic and Nonlinear Optical Properties: A DFT Theoretical Study","display_name":"The Influence of Alkali metals Interaction with Al/P\u2010Substituted BN Nanosheets on Their Electronic and Nonlinear Optical Properties: A DFT Theoretical Study","publication_year":2019,"publication_date":"2019-01-29","ids":{"openalex":"https://openalex.org/W2913347644","doi":"https://doi.org/10.1002/slct.201803193","mag":"2913347644"},"language":"en","primary_location":{"id":"doi:10.1002/slct.201803193","doi":"https://doi.org/10.1002/slct.201803193","is_oa":false,"landing_page_url":"https://doi.org/10.1002/slct.201803193","pdf_url":null,"source":{"id":"https://openalex.org/S4210221416","display_name":"ChemistrySelect","issn_l":"2365-6549","issn":["2365-6549"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1","poland-40","russia-white-list-2","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":"ChemistrySelect","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W2913347644"],"child_works_count":0,"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/A5086308933","display_name":"Na Hou","orcid":"https://orcid.org/0000-0003-2360-3034","observed_orcids":["https://orcid.org/0000-0003-2360-3034"]},"institutions":[{"id":"https://openalex.org/I94310126","display_name":"Shanxi Normal University","ror":"https://ror.org/03zd3ta61","country_code":"CN","type":"education","lineage":["https://openalex.org/I94310126"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Na Hou","raw_affiliation_strings":["Department of Chemistry, Modern College of Humanities and Science of Shanxi Normal University, Linfen, 041000 China","Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education Shanxi Normal University Linfen 041004 China","School of Chemistry and Materials Science, Shanxi Normal University, Linfen, 041004 China"],"raw_orcid":"https://orcid.org/0000-0003-2360-3034","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Modern College of Humanities and Science of Shanxi Normal University, Linfen, 041000 China","institution_ids":["https://openalex.org/I94310126"]},{"raw_affiliation_string":"Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education Shanxi Normal University Linfen 041004 China","institution_ids":["https://openalex.org/I94310126"]},{"raw_affiliation_string":"School of Chemistry and Materials Science, Shanxi Normal University, Linfen, 041004 China","institution_ids":["https://openalex.org/I94310126"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101424018","display_name":"Yuanyuan Wu","orcid":"https://orcid.org/0000-0003-4783-5366","observed_orcids":["https://orcid.org/0000-0003-4783-5366"]},"institutions":[{"id":"https://openalex.org/I94310126","display_name":"Shanxi Normal University","ror":"https://ror.org/03zd3ta61","country_code":"CN","type":"education","lineage":["https://openalex.org/I94310126"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuanyuan Wu","raw_affiliation_strings":["Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education Shanxi Normal University Linfen 041004 China","School of Chemistry and Materials Science, Shanxi Normal University, Linfen, 041004 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education Shanxi Normal University Linfen 041004 China","institution_ids":["https://openalex.org/I94310126"]},{"raw_affiliation_string":"School of Chemistry and Materials Science, Shanxi Normal University, Linfen, 041004 China","institution_ids":["https://openalex.org/I94310126"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062029799","display_name":"Hai\u2010Shun Wu","orcid":"https://orcid.org/0000-0002-0917-5929","observed_orcids":["https://orcid.org/0000-0002-0917-5929"]},"institutions":[{"id":"https://openalex.org/I94310126","display_name":"Shanxi Normal University","ror":"https://ror.org/03zd3ta61","country_code":"CN","type":"education","lineage":["https://openalex.org/I94310126"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haishun Wu","raw_affiliation_strings":["Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education Shanxi Normal University Linfen 041004 China","School of Chemistry and Materials Science, Shanxi Normal University, Linfen, 041004 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education Shanxi Normal University Linfen 041004 China","institution_ids":["https://openalex.org/I94310126"]},{"raw_affiliation_string":"School of Chemistry and Materials Science, Shanxi Normal University, Linfen, 041004 China","institution_ids":["https://openalex.org/I94310126"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5086308933"],"corresponding_institution_ids":["https://openalex.org/I94310126"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":0.849,"has_fulltext":false,"cited_by_count":21,"citation_normalized_percentile":{"value":0.66282744,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"4","issue":"4","first_page":"1441","last_page":"1447"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11341","display_name":"Boron and Carbon Nanomaterials Research","score":0.7764000296592712,"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/T11341","display_name":"Boron and Carbon Nanomaterials Research","score":0.7764000296592712,"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/T11025","display_name":"Nonlinear Optical Materials Research","score":0.14669999480247498,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.014700000174343586,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/boron-nitride-nanosheets","display_name":"boron nitride nanosheets","score":0.9810000061988831},{"id":"https://openalex.org/keywords/alkali-doping","display_name":"alkali metal doping","score":0.8429999947547913},{"id":"https://openalex.org/keywords/aluminum-substitution","display_name":"aluminum substitution","score":0.7960000038146973},{"id":"https://openalex.org/keywords/phosphorus-substitution","display_name":"phosphorus substitution","score":0.9980000257492065},{"id":"https://openalex.org/keywords/nonlinear-optical-properties","display_name":"nonlinear optical properties","score":0.8769999742507935},{"id":"https://openalex.org/keywords/first-hyperpolarizability","display_name":"first hyperpolarizability","score":0.9610000252723694},{"id":"https://openalex.org/keywords/electrides","display_name":"electrides","score":0.8209999799728394},{"id":"https://openalex.org/keywords/excess-electrons","display_name":"excess electrons","score":0.5109999775886536},{"id":"https://openalex.org/keywords/band-gap-narrowing","display_name":"band gap narrowing","score":0.5910000205039978},{"id":"https://openalex.org/keywords/homo-energy-level","display_name":"HOMO energy level","score":0.6679999828338623},{"id":"https://openalex.org/keywords/nonlinear-optical-materials","display_name":"nonlinear optical materials","score":0.7210000157356262}],"concepts":[{"id":"https://openalex.org/C198091228","wikidata":"https://www.wikidata.org/wiki/Q19557","display_name":"Alkali metal","level":2,"score":0.83000248670578},{"id":"https://openalex.org/C2780243435","wikidata":"https://www.wikidata.org/wiki/Q410193","display_name":"Boron nitride","level":2,"score":0.7221702933311462},{"id":"https://openalex.org/C191952053","wikidata":"https://www.wikidata.org/wiki/Q15119237","display_name":"Dopant","level":3,"score":0.6584500670433044},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6436408162117004},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.6338769197463989},{"id":"https://openalex.org/C51967427","wikidata":"https://www.wikidata.org/wiki/Q17148232","display_name":"Nanosheet","level":2,"score":0.6197052597999573},{"id":"https://openalex.org/C57863236","wikidata":"https://www.wikidata.org/wiki/Q1130571","display_name":"Doping","level":2,"score":0.6066299676895142},{"id":"https://openalex.org/C2991936344","wikidata":"https://www.wikidata.org/wiki/Q756033","display_name":"Nonlinear optical","level":3,"score":0.5252991318702698},{"id":"https://openalex.org/C501308230","wikidata":"https://www.wikidata.org/wiki/Q618","display_name":"Boron","level":2,"score":0.5070030689239502},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.4630356729030609},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.45983025431632996},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.428399920463562},{"id":"https://openalex.org/C2781238429","wikidata":"https://www.wikidata.org/wiki/Q5358151","display_name":"Electron affinity (data page)","level":3,"score":0.41353127360343933},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3533281683921814},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.32507431507110596},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.21329748630523682},{"id":"https://openalex.org/C158622935","wikidata":"https://www.wikidata.org/wiki/Q660848","display_name":"Nonlinear system","level":2,"score":0.1131625771522522},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.11143764853477478},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.10945290327072144},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.09131407737731934},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08429262042045593},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.07182836532592773},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/slct.201803193","doi":"https://doi.org/10.1002/slct.201803193","is_oa":false,"landing_page_url":"https://doi.org/10.1002/slct.201803193","pdf_url":null,"source":{"id":"https://openalex.org/S4210221416","display_name":"ChemistrySelect","issn_l":"2365-6549","issn":["2365-6549"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1","poland-40","russia-white-list-2","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":"ChemistrySelect","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W641477156","https://openalex.org/W1687759000","https://openalex.org/W1967484838","https://openalex.org/W1969284696","https://openalex.org/W1970367393","https://openalex.org/W1988076715","https://openalex.org/W1988715706","https://openalex.org/W2005111958","https://openalex.org/W2013266656","https://openalex.org/W2016130204","https://openalex.org/W2016937746","https://openalex.org/W2023303947","https://openalex.org/W2026317102","https://openalex.org/W2028133689","https://openalex.org/W2030677960","https://openalex.org/W2035887397","https://openalex.org/W2042915648","https://openalex.org/W2043690065","https://openalex.org/W2046243931","https://openalex.org/W2061555015","https://openalex.org/W2072226058","https://openalex.org/W2073586652","https://openalex.org/W2088110617","https://openalex.org/W2093942995","https://openalex.org/W2106495981","https://openalex.org/W2134057085","https://openalex.org/W2157488847","https://openalex.org/W2299880950","https://openalex.org/W2317353653","https://openalex.org/W2320610847","https://openalex.org/W2320818835","https://openalex.org/W2324888051","https://openalex.org/W2332926423","https://openalex.org/W2333719796","https://openalex.org/W2415482952","https://openalex.org/W2560682742","https://openalex.org/W2605856311","https://openalex.org/W2626002928","https://openalex.org/W2743677198","https://openalex.org/W2757712806","https://openalex.org/W2766574477"],"related_works":["https://openalex.org/W4293003133","https://openalex.org/W4284700177","https://openalex.org/W4402995844","https://openalex.org/W3182651562","https://openalex.org/W2435573151","https://openalex.org/W4212846604","https://openalex.org/W2914370415","https://openalex.org/W4377141021","https://openalex.org/W4417134708","https://openalex.org/W4235641977"],"abstract_inverted_index":{"Abstract":[0],"On":[1],"the":[2,5,10,29,32,42,51,58,65,69,77,89,103,109,119,130,138,162],"basis":[3],"of":[4,68,105,132,141,164],"boron":[6],"nitride":[7],"(BN)":[8],"nanosheet,":[9],"Al/P\u2010substituted":[11,43],"and":[12,17,92,125],"alkali\u2010doped":[13],"M@Al\u2010BN,":[14],"M\u2032@Al\u2010BN,":[15],"M@P\u2010BN,":[16],"M\u2032@P\u2010BN":[18],"(M,":[19],"M\u2032=Li,":[20],"Na,":[21],"K)":[22],"compounds":[23,149],"were":[24],"designed":[25],"to":[26,76,123,144],"study":[27],"how":[28],"dopants":[30],"affect":[31],"nonlinear":[33],"optical":[34],"(NLO)":[35],"responses.":[36],"The":[37,53],"alkali":[38,59,115,134],"metal":[39,60,116],"atoms":[40,61],"on":[41,170],"BN":[44,171],"nanosheets":[45],"are":[46],"located":[47],"inside":[48],"or":[49],"outside":[50],"bowl.":[52],"results":[54],"show":[55],"that":[56],"doping":[57],"can":[62],"significantly":[63,136],"reduce":[64],"energy":[66],"gaps":[67],"undoped":[70],"systems,":[71],"which":[72],"is":[73],"mainly":[74],"attributed":[75],"new":[78,165],"high":[79],"HOMO":[80],"level":[81],"containing":[82],"excess":[83,112],"electrons.":[84],"These":[85,155],"doped":[86],"species":[87],"possess":[88],"electride":[90],"characteristics":[91],"exhibit":[93],"large":[94],"static":[95],"first":[96],"hyperpolarizabilities":[97],"(":[98],"\u03b2":[99,121,139],"0":[100,122,140],")":[101],"in":[102],"range":[104],"1807\u201360919":[106],"au.":[107],"Especially,":[108],"loosely":[110],"bound":[111],"electron":[113],"from":[114],"atom":[117,135],"brings":[118],"considerable":[120],"Na\u2032/K\u2032@Al\u2010BN":[124],"M/M\u2032@P\u2010BN":[126],"systems.":[127],"In":[128],"addition,":[129],"introduction":[131],"an":[133],"enhances":[137],"P\u2010BN":[142],"compared":[143],"corresponding":[145],"Al\u2010BN":[146],"because":[147],"these":[148],"have":[150],"much":[151],"smaller":[152],"transition":[153],"energies.":[154],"findings":[156],"may":[157],"provide":[158],"valuable":[159],"insights":[160],"into":[161],"design":[163],"high\u2010performance":[166],"NLO":[167],"materials":[168],"based":[169],"nanosheets.":[172]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2019-02-21T00:00:00"}