{"id":"https://openalex.org/W1968698941","doi":"https://doi.org/10.1021/jp106339f","title":"Configuration of the Surface Atoms in AlN (270 \u2264 N \u2264 500) Clusters","display_name":"Configuration of the Surface Atoms in AlN (270 \u2264 N \u2264 500) Clusters","publication_year":2010,"publication_date":"2010-11-19","ids":{"openalex":"https://openalex.org/W1968698941","doi":"https://doi.org/10.1021/jp106339f","mag":"1968698941","pmid":"https://pubmed.ncbi.nlm.nih.gov/21105668"},"language":"en","primary_location":{"id":"doi:10.1021/jp106339f","doi":"https://doi.org/10.1021/jp106339f","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp106339f","pdf_url":null,"source":{"id":"https://openalex.org/S146709414","display_name":"The Journal of Physical Chemistry A","issn_l":"1089-5639","issn":["1089-5639","1520-5215"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry A","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"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/A5101639531","display_name":"Xueguang Shao","orcid":"https://orcid.org/0000-0001-5027-4382","observed_orcids":["https://orcid.org/0000-0001-5027-4382"]},"institutions":[{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xueguang Shao","raw_affiliation_strings":["Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin 300071, P. R. China","Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin 300071, P. R. China. xshao@nankai.edu.cn"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin 300071, P. R. China","institution_ids":["https://openalex.org/I205237279"]},{"raw_affiliation_string":"Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin 300071, P. R. China. xshao@nankai.edu.cn","institution_ids":["https://openalex.org/I205237279"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100740258","display_name":"Xia Wu","orcid":"https://orcid.org/0000-0002-1143-6024","observed_orcids":["https://orcid.org/0000-0002-1143-6024"]},"institutions":[{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xia Wu","raw_affiliation_strings":["Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin 300071, P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin 300071, P. R. China","institution_ids":["https://openalex.org/I205237279"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5010656224","display_name":"Wensheng Cai","orcid":"https://orcid.org/0000-0002-6457-7058","observed_orcids":["https://orcid.org/0000-0002-6457-7058"]},"institutions":[{"id":"https://openalex.org/I205237279","display_name":"Nankai University","ror":"https://ror.org/01y1kjr75","country_code":"CN","type":"education","lineage":["https://openalex.org/I205237279"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wensheng Cai","raw_affiliation_strings":["Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin 300071, P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin 300071, P. R. China","institution_ids":["https://openalex.org/I205237279"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5101639531"],"corresponding_institution_ids":["https://openalex.org/I205237279"],"apc_list":null,"apc_paid":null,"fwci":0.6062,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.62505144,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":98},"biblio":{"volume":"114","issue":"49","first_page":"12813","last_page":"12818"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.3686999976634979,"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"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.3686999976634979,"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/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.3280999958515167,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T10806","display_name":"Energetic Materials and Combustion","score":0.07930000126361847,"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/aluminum-clusters","display_name":"aluminum clusters","score":0.9860000014305115},{"id":"https://openalex.org/keywords/truncated-octahedron","display_name":"truncated octahedron","score":0.890999972820282},{"id":"https://openalex.org/keywords/cluster-structure","display_name":"cluster structure","score":0.47099998593330383},{"id":"https://openalex.org/keywords/cluster-stability","display_name":"cluster stability","score":0.5609999895095825},{"id":"https://openalex.org/keywords/edge-sites","display_name":"edge sites","score":0.6290000081062317}],"concepts":[{"id":"https://openalex.org/C2776799497","wikidata":"https://www.wikidata.org/wiki/Q484298","display_name":"Surface (topology)","level":2,"score":0.46930789947509766},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.45717671513557434},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.40073609352111816},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3822126090526581},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3626025915145874},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3423598110675812},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.10160267353057861},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09538647532463074}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/jp106339f","doi":"https://doi.org/10.1021/jp106339f","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp106339f","pdf_url":null,"source":{"id":"https://openalex.org/S146709414","display_name":"The Journal of Physical Chemistry A","issn_l":"1089-5639","issn":["1089-5639","1520-5215"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry A","raw_type":"journal-article"},{"id":"pmid:21105668","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21105668","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The journal of physical chemistry. A","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":39,"referenced_works":["https://openalex.org/W1621120124","https://openalex.org/W1963713766","https://openalex.org/W1968420840","https://openalex.org/W1971243130","https://openalex.org/W1977529954","https://openalex.org/W1982627635","https://openalex.org/W1986470117","https://openalex.org/W1986602910","https://openalex.org/W1989460683","https://openalex.org/W1992051083","https://openalex.org/W1995705362","https://openalex.org/W1996141407","https://openalex.org/W1997439955","https://openalex.org/W2002861763","https://openalex.org/W2002909849","https://openalex.org/W2007814821","https://openalex.org/W2009870159","https://openalex.org/W2010152589","https://openalex.org/W2026373756","https://openalex.org/W2027118596","https://openalex.org/W2027813583","https://openalex.org/W2029936885","https://openalex.org/W2049162669","https://openalex.org/W2067792890","https://openalex.org/W2067835379","https://openalex.org/W2068935931","https://openalex.org/W2071302268","https://openalex.org/W2074452951","https://openalex.org/W2075875303","https://openalex.org/W2083471911","https://openalex.org/W2091259805","https://openalex.org/W2092883919","https://openalex.org/W2093039462","https://openalex.org/W2121256235","https://openalex.org/W2133940682","https://openalex.org/W2144682376","https://openalex.org/W2149568574","https://openalex.org/W2165813668","https://openalex.org/W2166766557"],"related_works":["https://openalex.org/W1984463356","https://openalex.org/W1968420840","https://openalex.org/W126364452","https://openalex.org/W1982627635","https://openalex.org/W2280226245","https://openalex.org/W2067792890","https://openalex.org/W2949213752","https://openalex.org/W1990285416","https://openalex.org/W1663851282","https://openalex.org/W2087191391"],"abstract_inverted_index":{"Configuration":[0],"of":[1,19,27,71,77,84,121,144,150],"the":[2,12,24,34,44,48,69,75,78,82,85,115,119,122,127,133,136,142,147,155,158],"surface":[3,79],"atoms":[4,80,117,145],"in":[5,23,81],"aluminum":[6],"clusters":[7,22,52,86,128],"was":[8],"investigated":[9],"based":[10],"on":[11,100,110,135,157],"structures":[13,30,83],"with":[14,38,43,118],"global":[15],"minimum":[16],"potential":[17],"energy":[18],"some":[20],"Al":[21],"size":[25],"range":[26],"270-500.":[28],"The":[29,98],"were":[31,96],"optimized":[32,49],"by":[33],"dynamic":[35],"lattice":[36],"searching":[37],"constructed":[39],"cores":[40],"(DLSc)":[41],"method":[42],"NP-B":[45],"potential.":[46],"In":[47],"structures,":[50],"all":[51],"are":[53,103,139,168],"identified":[54],"as":[55],"truncated":[56],"octahedra":[57],"(TO)":[58],"including":[59],"three":[60],"complete":[61],"TO":[62],"at":[63],"Al(260),":[64],"Al(314),":[65],"and":[66,73,91,164],"Al(405).":[67],"With":[68],"model":[70],"TO(260)":[72],"TO(405),":[74],"configurations":[76],"from":[87,92],"261":[88],"to":[89,94,105,108,170,174],"314":[90],"406":[93],"459":[95],"investigated.":[97],"sites":[99,134,156],"(100)":[101,152,162],"faces":[102,112],"found":[104,169],"be":[106,171],"preferable":[107],"those":[109],"(111)":[111,137,166],"for":[113,126],"locating":[114],"new":[116],"increase":[120],"cluster":[123,177],"size,":[124],"but":[125],"larger":[129],"than":[130],"405":[131],"atoms,":[132],"face":[138,163,167],"favored":[140],"when":[141],"number":[143,149],"exceeds":[146],"site":[148],"a":[151,161,165,176],"face.":[153],"Furthermore,":[154],"edge":[159],"adjoining":[160],"very":[172],"important":[173],"make":[175],"more":[178],"stable.":[179]},"counts_by_year":[{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":6},{"year":2012,"cited_by_count":2}],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2016-06-24T00:00:00"}