{"id":"https://openalex.org/W2808296014","doi":"https://doi.org/10.1039/c8cp02786b","title":"Ab initio molecular dynamics of atomic-scale surface reactions: insights into metal organic chemical vapor deposition of AlN on graphene","display_name":"Ab initio molecular dynamics of atomic-scale surface reactions: insights into metal organic chemical vapor deposition of AlN on graphene","publication_year":2018,"publication_date":"2018-01-01","ids":{"openalex":"https://openalex.org/W2808296014","doi":"https://doi.org/10.1039/c8cp02786b","mag":"2808296014","pmid":"https://pubmed.ncbi.nlm.nih.gov/29915819"},"language":"en","primary_location":{"id":"doi:10.1039/c8cp02786b","doi":"https://doi.org/10.1039/c8cp02786b","is_oa":true,"landing_page_url":"https://doi.org/10.1039/c8cp02786b","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2018/cp/c8cp02786b","source":{"id":"https://openalex.org/S181332294","display_name":"Physical Chemistry Chemical Physics","issn_l":"1463-9076","issn":["1463-9076","1463-9084"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Chemistry Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.rsc.org/en/content/articlepdf/2018/cp/c8cp02786b","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5024490257","display_name":"Davide G. Sangiovanni","orcid":"https://orcid.org/0000-0002-1379-6656","observed_orcids":["https://orcid.org/0000-0002-1379-6656"]},"institutions":[{"id":"https://openalex.org/I904495901","display_name":"Ruhr University Bochum","ror":"https://ror.org/04tsk2644","country_code":"DE","type":"education","lineage":["https://openalex.org/I904495901"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"D. G. Sangiovanni","raw_affiliation_strings":["44780 Bochum","Atomistic Modelling and Simulation ICAMS","Department of Physics","Germany","Ruhr-Universit\u00e4t Bochum"],"raw_orcid":"https://orcid.org/0000-0002-1379-6656","affiliations":[{"raw_affiliation_string":"44780 Bochum","institution_ids":[]},{"raw_affiliation_string":"Atomistic Modelling and Simulation ICAMS","institution_ids":[]},{"raw_affiliation_string":"Department of Physics","institution_ids":[]},{"raw_affiliation_string":"Germany","institution_ids":[]},{"raw_affiliation_string":"Ruhr-Universit\u00e4t Bochum","institution_ids":["https://openalex.org/I904495901"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040925008","display_name":"Gueorgui Kostov Gueorguiev","orcid":"https://orcid.org/0000-0001-9402-1491","observed_orcids":["https://orcid.org/0000-0001-9402-1491"]},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"G. K. Gueorguiev","raw_affiliation_strings":["Chemistry and Biology (IFM)","Department of Physics","Link\u00f6ping University","SE 581 83 Link\u00f6ping","Sweden"],"raw_orcid":"https://orcid.org/0000-0001-9402-1491","affiliations":[{"raw_affiliation_string":"Chemistry and Biology (IFM)","institution_ids":[]},{"raw_affiliation_string":"Department of Physics","institution_ids":[]},{"raw_affiliation_string":"Link\u00f6ping University","institution_ids":["https://openalex.org/I102134673"]},{"raw_affiliation_string":"SE 581 83 Link\u00f6ping","institution_ids":[]},{"raw_affiliation_string":"Sweden","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083905585","display_name":"A. Kakanakova\u2010Georgieva","orcid":"https://orcid.org/0000-0002-7042-2351","observed_orcids":["https://orcid.org/0000-0002-7042-2351"]},"institutions":[{"id":"https://openalex.org/I102134673","display_name":"Link\u00f6ping University","ror":"https://ror.org/05ynxx418","country_code":"SE","type":"education","lineage":["https://openalex.org/I102134673"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"A. Kakanakova-Georgieva","raw_affiliation_strings":["Chemistry and Biology (IFM)","Department of Physics","Link\u00f6ping University","SE 581 83 Link\u00f6ping","Sweden"],"raw_orcid":"https://orcid.org/0000-0002-7042-2351","affiliations":[{"raw_affiliation_string":"Chemistry and Biology (IFM)","institution_ids":[]},{"raw_affiliation_string":"Department of Physics","institution_ids":[]},{"raw_affiliation_string":"Link\u00f6ping University","institution_ids":["https://openalex.org/I102134673"]},{"raw_affiliation_string":"SE 581 83 Link\u00f6ping","institution_ids":[]},{"raw_affiliation_string":"Sweden","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5024490257"],"corresponding_institution_ids":["https://openalex.org/I904495901"],"apc_list":null,"apc_paid":null,"fwci":5.2178,"has_fulltext":true,"cited_by_count":96,"citation_normalized_percentile":{"value":0.96919524,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":100},"biblio":{"volume":"20","issue":"26","first_page":"17751","last_page":"17761"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.801800012588501,"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":0.801800012588501,"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/T10099","display_name":"GaN-based semiconductor devices and materials","score":0.055399999022483826,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.042500000447034836,"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-nitride","display_name":"aluminum nitride","score":0.765999972820282},{"id":"https://openalex.org/keywords/graphene","display_name":"graphene","score":0.984000027179718},{"id":"https://openalex.org/keywords/metal-organic-chemical-vapor-deposition","display_name":"metalorganic chemical vapor deposition","score":0.9620000123977661},{"id":"https://openalex.org/keywords/precursor-adsorption","display_name":"precursor adsorption","score":0.6290000081062317},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.8069999814033508},{"id":"https://openalex.org/keywords/activation-energy","display_name":"activation energy","score":0.6389999985694885}],"concepts":[{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.848421037197113},{"id":"https://openalex.org/C175665537","wikidata":"https://www.wikidata.org/wiki/Q1924991","display_name":"Metalorganic vapour phase epitaxy","level":4,"score":0.6795119047164917},{"id":"https://openalex.org/C57410435","wikidata":"https://www.wikidata.org/wiki/Q505668","display_name":"Chemical vapor deposition","level":2,"score":0.6501267552375793},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5394819974899292},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5353679060935974},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5166364312171936},{"id":"https://openalex.org/C79794668","wikidata":"https://www.wikidata.org/wiki/Q1616270","display_name":"Heterojunction","level":2,"score":0.503102719783783},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.49372920393943787},{"id":"https://openalex.org/C194760766","wikidata":"https://www.wikidata.org/wiki/Q410851","display_name":"Nitride","level":3,"score":0.455283522605896},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4272879660129547},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.41853049397468567},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4013710916042328},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3441997468471527},{"id":"https://openalex.org/C110738630","wikidata":"https://www.wikidata.org/wiki/Q1135540","display_name":"Epitaxy","level":3,"score":0.2533802390098572},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.11363053321838379},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1050100326538086},{"id":"https://openalex.org/C2779227376","wikidata":"https://www.wikidata.org/wiki/Q6505497","display_name":"Layer (electronics)","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1039/c8cp02786b","doi":"https://doi.org/10.1039/c8cp02786b","is_oa":true,"landing_page_url":"https://doi.org/10.1039/c8cp02786b","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2018/cp/c8cp02786b","source":{"id":"https://openalex.org/S181332294","display_name":"Physical Chemistry Chemical Physics","issn_l":"1463-9076","issn":["1463-9076","1463-9084"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Chemistry Chemical Physics","raw_type":"journal-article"},{"id":"pmid:29915819","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29915819","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":"Physical chemistry chemical physics : PCCP","raw_type":"Journal Article"},{"id":"pmh:oai:DiVA.org:liu-149847","doi":null,"is_oa":true,"landing_page_url":"http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-149847","pdf_url":null,"source":{"id":"https://openalex.org/S4306400838","display_name":"DiVA (Linkoping University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I102134673","host_organization_name":"Link\u00f6ping University","host_organization_lineage":["https://openalex.org/I102134673"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1039/c8cp02786b","doi":"https://doi.org/10.1039/c8cp02786b","is_oa":true,"landing_page_url":"https://doi.org/10.1039/c8cp02786b","pdf_url":"https://pubs.rsc.org/en/content/articlepdf/2018/cp/c8cp02786b","source":{"id":"https://openalex.org/S181332294","display_name":"Physical Chemistry Chemical Physics","issn_l":"1463-9076","issn":["1463-9076","1463-9084"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-3","ki-jl-1","medline","norway-2","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Chemistry Chemical Physics","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G6487507003","display_name":null,"funder_award_id":"2016/408","funder_id":"https://openalex.org/F4320322444","funder_display_name":"Stiftelsen Olle Engkvist Byggm\u00e4stare"},{"id":"https://openalex.org/G6909573015","display_name":null,"funder_award_id":"FLAG-ERA JTC 2015","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G7326436636","display_name":null,"funder_award_id":"VR 2017- 04071","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G7459762784","display_name":"Emerging 2D semiconductors deposited with group III nitrides","funder_award_id":"2017-04071","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G7905860355","display_name":"Graphitic films of group III nitrides and group II oxides: platform for fundamental studies and applications","funder_award_id":"2015-06816","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G8030777632","display_name":null,"funder_award_id":"HPC2N","funder_id":"https://openalex.org/F4320321040","funder_display_name":"National Science Council"}],"funders":[{"id":"https://openalex.org/F4320321040","display_name":"National Science Council","ror":"https://ror.org/02kv4zf79"},{"id":"https://openalex.org/F4320322444","display_name":"Stiftelsen Olle Engkvist Byggm\u00e4stare","ror":"https://ror.org/05apbp152"},{"id":"https://openalex.org/F4320322581","display_name":"Vetenskapsr\u00e5det","ror":"https://ror.org/03zttf063"},{"id":"https://openalex.org/F4320336380","display_name":"National Supercomputer Centre, Link\u00f6pings Universitet","ror":"https://ror.org/054wejp28"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2808296014.pdf","grobid_xml":"https://content.openalex.org/works/W2808296014.grobid-xml"},"referenced_works_count":57,"referenced_works":["https://openalex.org/W1970127494","https://openalex.org/W1972447761","https://openalex.org/W1972970620","https://openalex.org/W1973641880","https://openalex.org/W1975327807","https://openalex.org/W1984639267","https://openalex.org/W1984891685","https://openalex.org/W1991719131","https://openalex.org/W1993356393","https://openalex.org/W1997310583","https://openalex.org/W2000967963","https://openalex.org/W2004811627","https://openalex.org/W2012494369","https://openalex.org/W2012685808","https://openalex.org/W2013911233","https://openalex.org/W2019084288","https://openalex.org/W2026907619","https://openalex.org/W2029667189","https://openalex.org/W2031371484","https://openalex.org/W2033209997","https://openalex.org/W2035744999","https://openalex.org/W2041314908","https://openalex.org/W2041858177","https://openalex.org/W2043636680","https://openalex.org/W2044591029","https://openalex.org/W2046001409","https://openalex.org/W2049372561","https://openalex.org/W2052637367","https://openalex.org/W2053956481","https://openalex.org/W2057228425","https://openalex.org/W2068382336","https://openalex.org/W2077633895","https://openalex.org/W2079105963","https://openalex.org/W2083203181","https://openalex.org/W2084053963","https://openalex.org/W2089875982","https://openalex.org/W2094113109","https://openalex.org/W2095509694","https://openalex.org/W2131982054","https://openalex.org/W2138827550","https://openalex.org/W2152949843","https://openalex.org/W2166803397","https://openalex.org/W2168342488","https://openalex.org/W2236200536","https://openalex.org/W2255465401","https://openalex.org/W2267759062","https://openalex.org/W2278928940","https://openalex.org/W2313933724","https://openalex.org/W2318537644","https://openalex.org/W2329989263","https://openalex.org/W2332210666","https://openalex.org/W2332835270","https://openalex.org/W2395505534","https://openalex.org/W2508143182","https://openalex.org/W2516694888","https://openalex.org/W2580848998","https://openalex.org/W2950386950"],"related_works":["https://openalex.org/W2003921727","https://openalex.org/W2019266815","https://openalex.org/W256196689","https://openalex.org/W2590261370","https://openalex.org/W7168160924","https://openalex.org/W4293162178","https://openalex.org/W1966585715","https://openalex.org/W2285145014","https://openalex.org/W4285012770","https://openalex.org/W2095663887"],"abstract_inverted_index":{")":[0],"THz":[1],"via":[2],"Arrhenius":[3],"linear":[4],"regression.":[5],"The":[6],"results":[7],"demonstrate":[8],"that":[9],"AIMD":[10,21],"simulations":[11],"enable":[12],"understanding":[13],"complex":[14],"precursor/surface":[15],"reaction":[16],"mechanisms,":[17],"and":[18,35],"thus":[19],"propose":[20],"to":[22],"become":[23],"an":[24],"indispensable":[25],"routine":[26],"prediction-tool":[27],"toward":[28],"more":[29],"effective":[30],"exploitation":[31],"of":[32,38,43],"chemical":[33],"precursors":[34],"better":[36],"control":[37],"MOCVD":[39],"processes":[40],"during":[41],"synthesis":[42],"functional":[44],"materials.":[45]},"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":10},{"year":2024,"cited_by_count":16},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":13},{"year":2021,"cited_by_count":20},{"year":2020,"cited_by_count":17},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2018-06-21T00:00:00"}