{"id":"https://openalex.org/W4392091191","doi":"https://doi.org/10.1039/d3cp05706b","title":"Nano-protrusions in intercalated graphite: understanding the structural and electronic effects through DFT","display_name":"Nano-protrusions in intercalated graphite: understanding the structural and electronic effects through DFT","publication_year":2024,"publication_date":"2024-01-01","ids":{"openalex":"https://openalex.org/W4392091191","doi":"https://doi.org/10.1039/d3cp05706b","pmid":"https://pubmed.ncbi.nlm.nih.gov/38445340"},"language":"en","primary_location":{"id":"doi:10.1039/d3cp05706b","doi":"https://doi.org/10.1039/d3cp05706b","is_oa":false,"landing_page_url":"https://doi.org/10.1039/d3cp05706b","pdf_url":null,"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":null,"license_id":null,"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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5011906686","display_name":"Hussam Bouaamlat","orcid":"https://orcid.org/0000-0003-1530-5643","observed_orcids":["https://orcid.org/0000-0003-1530-5643"]},"institutions":[{"id":"https://openalex.org/I4210090266","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Roma Tre","ror":"https://ror.org/009wnjh50","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210090266"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Hussam Bouaamlat","raw_affiliation_strings":["National Institute for Nuclear Physics - Roma Tre Division, via della Vasca Navale 84, Rome I-00146, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institute for Nuclear Physics - Roma Tre Division, via della Vasca Navale 84, Rome I-00146, Italy","institution_ids":["https://openalex.org/I4210090266"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026989187","display_name":"Ari Paavo Seitsonen","orcid":"https://orcid.org/0000-0003-4331-0650","observed_orcids":["https://orcid.org/0000-0003-4331-0650"]},"institutions":[{"id":"https://openalex.org/I29607241","display_name":"\u00c9cole Normale Sup\u00e9rieure - PSL","ror":"https://ror.org/05a0dhs15","country_code":"FR","type":"other","lineage":["https://openalex.org/I2746051580","https://openalex.org/I29607241"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Ari Paavo Seitsonen","raw_affiliation_strings":["D\u00e9partement de Chimie, \u00c9cole Normale Sup\u00e9rieure, 24 rue Lhomond, Paris F-75005, France"],"raw_orcid":"https://orcid.org/0000-0003-4331-0650","affiliations":[{"raw_affiliation_string":"D\u00e9partement de Chimie, \u00c9cole Normale Sup\u00e9rieure, 24 rue Lhomond, Paris F-75005, France","institution_ids":["https://openalex.org/I29607241"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012213240","display_name":"Gianlorenzo Bussetti","orcid":"https://orcid.org/0000-0001-8556-8014","observed_orcids":["https://orcid.org/0000-0001-8556-8014"]},"institutions":[{"id":"https://openalex.org/I93860229","display_name":"Politecnico di Milano","ror":"https://ror.org/01nffqt88","country_code":"IT","type":"education","lineage":["https://openalex.org/I93860229"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Gianlorenzo Bussetti","raw_affiliation_strings":["Department of Physics, Politecnico di Milano, p.za Leonardo da Vinci 32, Milano I-20133, Italy"],"raw_orcid":"https://orcid.org/0000-0001-8556-8014","affiliations":[{"raw_affiliation_string":"Department of Physics, Politecnico di Milano, p.za Leonardo da Vinci 32, Milano I-20133, Italy","institution_ids":["https://openalex.org/I93860229"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062197731","display_name":"Rossella Yivlialin","orcid":"https://orcid.org/0000-0002-6824-1519","observed_orcids":["https://orcid.org/0000-0002-6824-1519"]},"institutions":[{"id":"https://openalex.org/I93860229","display_name":"Politecnico di Milano","ror":"https://ror.org/01nffqt88","country_code":"IT","type":"education","lineage":["https://openalex.org/I93860229"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Rossella Yivlialin","raw_affiliation_strings":["Department of Physics, Politecnico di Milano, p.za Leonardo da Vinci 32, Milano I-20133, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Politecnico di Milano, p.za Leonardo da Vinci 32, Milano I-20133, Italy","institution_ids":["https://openalex.org/I93860229"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027113267","display_name":"Stefania De Rosa","orcid":"https://orcid.org/0000-0003-1141-3444","observed_orcids":["https://orcid.org/0000-0003-1141-3444"]},"institutions":[{"id":"https://openalex.org/I106785703","display_name":"Institut polytechnique de Grenoble","ror":"https://ror.org/05sbt2524","country_code":"FR","type":"education","lineage":["https://openalex.org/I106785703","https://openalex.org/I899635006"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I899635006","display_name":"Universit\u00e9 Grenoble Alpes","ror":"https://ror.org/02rx3b187","country_code":"FR","type":"education","lineage":["https://openalex.org/I899635006"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Stefania De Rosa","raw_affiliation_strings":["Universit\u00e9 Grenoble Alpes, CNRS, Grenoble INP, LGP2, Grenoble 38000, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Grenoble Alpes, CNRS, Grenoble INP, LGP2, Grenoble 38000, France","institution_ids":["https://openalex.org/I106785703","https://openalex.org/I1294671590","https://openalex.org/I899635006"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042637066","display_name":"P. Branchini","orcid":"https://orcid.org/0000-0002-2270-9673","observed_orcids":["https://orcid.org/0000-0002-2270-9673"]},"institutions":[{"id":"https://openalex.org/I4210090266","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Roma Tre","ror":"https://ror.org/009wnjh50","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210090266"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Paolo Branchini","raw_affiliation_strings":["National Institute for Nuclear Physics - Roma Tre Division, via della Vasca Navale 84, Rome I-00146, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institute for Nuclear Physics - Roma Tre Division, via della Vasca Navale 84, Rome I-00146, Italy","institution_ids":["https://openalex.org/I4210090266"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5089812304","display_name":"Luca Tortora","orcid":"https://orcid.org/0000-0003-3053-2406","observed_orcids":["https://orcid.org/0000-0003-3053-2406"]},"institutions":[{"id":"https://openalex.org/I119003972","display_name":"Roma Tre University","ror":"https://ror.org/05vf0dg29","country_code":"IT","type":"education","lineage":["https://openalex.org/I119003972"]},{"id":"https://openalex.org/I4210090266","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Roma Tre","ror":"https://ror.org/009wnjh50","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210090266"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Luca Tortora","raw_affiliation_strings":["Department of Science, Roma Tre University, via della Vasca Navale 84, Rome I-00146, Italy","National Institute for Nuclear Physics - Roma Tre Division, via della Vasca Navale 84, Rome I-00146, Italy"],"raw_orcid":"https://orcid.org/0000-0003-3053-2406","affiliations":[{"raw_affiliation_string":"Department of Science, Roma Tre University, via della Vasca Navale 84, Rome I-00146, Italy","institution_ids":["https://openalex.org/I119003972"]},{"raw_affiliation_string":"National Institute for Nuclear Physics - Roma Tre Division, via della Vasca Navale 84, Rome I-00146, Italy","institution_ids":["https://openalex.org/I4210090266"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5011906686","https://openalex.org/A5089812304"],"corresponding_institution_ids":["https://openalex.org/I119003972","https://openalex.org/I4210090266"],"apc_list":null,"apc_paid":null,"fwci":0.3575,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.3999783,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":96},"biblio":{"volume":"26","issue":"16","first_page":"12269","last_page":"12281"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.975600004196167,"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/T10083","display_name":"Graphene research and applications","score":0.975600004196167,"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/T12285","display_name":"Surface Chemistry and Catalysis","score":0.005200000014156103,"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/T10018","display_name":"Advancements in Battery Materials","score":0.0035000001080334187,"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/graphite-intercalation-compounds","display_name":"graphite intercalation compounds","score":0.8389999866485596},{"id":"https://openalex.org/keywords/scanning-tunneling-microscopy-simulation","display_name":"scanning tunneling microscopy simulation","score":0.7590000033378601},{"id":"https://openalex.org/keywords/surface-deformation","display_name":"surface deformation","score":0.8009999990463257},{"id":"https://openalex.org/keywords/multilayer-graphene","display_name":"multilayer graphene","score":0.9509999752044678},{"id":"https://openalex.org/keywords/charge-transfer","display_name":"charge transfer","score":0.8230000138282776},{"id":"https://openalex.org/keywords/oxidation","display_name":"oxidation","score":0.4869999885559082},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.8659999966621399}],"concepts":[{"id":"https://openalex.org/C137824038","wikidata":"https://www.wikidata.org/wiki/Q175562","display_name":"Intercalation (chemistry)","level":2,"score":0.927743673324585},{"id":"https://openalex.org/C2779698641","wikidata":"https://www.wikidata.org/wiki/Q5309","display_name":"Graphite","level":2,"score":0.7650818824768066},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5813286304473877},{"id":"https://openalex.org/C2780357685","wikidata":"https://www.wikidata.org/wiki/Q154357","display_name":"Nano-","level":2,"score":0.5704589486122131},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.5583152174949646},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5291419625282288},{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.4967685341835022},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.4877637028694153},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.44179508090019226},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24195384979248047},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.16442641615867615},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.14728295803070068},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.11776044964790344},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.08500531315803528},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.05947580933570862},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1039/d3cp05706b","doi":"https://doi.org/10.1039/d3cp05706b","is_oa":false,"landing_page_url":"https://doi.org/10.1039/d3cp05706b","pdf_url":null,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Chemistry Chemical Physics","raw_type":"journal-article"},{"id":"pmid:38445340","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38445340","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:iris.uniroma3.it:11590/468449","doi":null,"is_oa":false,"landing_page_url":"https://hdl.handle.net/11590/468449","pdf_url":null,"source":{"id":"https://openalex.org/S4377196120","display_name":"Iris (Roma Tre University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I119003972","host_organization_name":"Roma Tre University","host_organization_lineage":["https://openalex.org/I119003972"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:re.public.polimi.it:11311/1302025","doi":null,"is_oa":false,"landing_page_url":"https://hdl.handle.net/11311/1302025","pdf_url":null,"source":{"id":"https://openalex.org/S4306400312","display_name":"Virtual Community of Pathological Anatomy (University of Castilla La Mancha)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I79189158","host_organization_name":"University of Castilla-La Mancha","host_organization_lineage":["https://openalex.org/I79189158"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321873","display_name":"Ministero dell\u2019Istruzione, dell\u2019Universit\u00e0 e della Ricerca","ror":"https://ror.org/0166hxq48"},{"id":"https://openalex.org/F4320323988","display_name":"Ministero degli Affari Esteri e della Cooperazione Internazionale","ror":"https://ror.org/02jkm3388"},{"id":"https://openalex.org/F4320338264","display_name":"Commissione Scientifica Nazionale 5, Instituto Nazionale di Fisica Nucleare","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":57,"referenced_works":["https://openalex.org/W1479763396","https://openalex.org/W1524457934","https://openalex.org/W1965594359","https://openalex.org/W1970127494","https://openalex.org/W1980688762","https://openalex.org/W1981368803","https://openalex.org/W2012986644","https://openalex.org/W2024506763","https://openalex.org/W2036113194","https://openalex.org/W2047853051","https://openalex.org/W2049299338","https://openalex.org/W2049735647","https://openalex.org/W2067029153","https://openalex.org/W2068994203","https://openalex.org/W2071955897","https://openalex.org/W2083919021","https://openalex.org/W2092157292","https://openalex.org/W2108508060","https://openalex.org/W2116427218","https://openalex.org/W2150231512","https://openalex.org/W2166117776","https://openalex.org/W2274945021","https://openalex.org/W2296547413","https://openalex.org/W2314517829","https://openalex.org/W2334188465","https://openalex.org/W2463805570","https://openalex.org/W2511909582","https://openalex.org/W2545505001","https://openalex.org/W2547063800","https://openalex.org/W2591954556","https://openalex.org/W2609119538","https://openalex.org/W2791552377","https://openalex.org/W2794165034","https://openalex.org/W2808869466","https://openalex.org/W2898536600","https://openalex.org/W2900324913","https://openalex.org/W2945268736","https://openalex.org/W2949704504","https://openalex.org/W2960012018","https://openalex.org/W2969467267","https://openalex.org/W2982285666","https://openalex.org/W2983344309","https://openalex.org/W2985485055","https://openalex.org/W2996124524","https://openalex.org/W3007141712","https://openalex.org/W3021489368","https://openalex.org/W3029961016","https://openalex.org/W3036982016","https://openalex.org/W3106042047","https://openalex.org/W3126116496","https://openalex.org/W3127773305","https://openalex.org/W3164690451","https://openalex.org/W3183418753","https://openalex.org/W3205255613","https://openalex.org/W3206513602","https://openalex.org/W4309407295","https://openalex.org/W4360600584"],"related_works":["https://openalex.org/W2509413641","https://openalex.org/W4313254445","https://openalex.org/W2419330226","https://openalex.org/W2532364603","https://openalex.org/W4255043441","https://openalex.org/W3183418753","https://openalex.org/W3093625235","https://openalex.org/W3136910958","https://openalex.org/W2626058050","https://openalex.org/W2296547413"],"abstract_inverted_index":{"However,":[0],"the":[1,8,17,27,30,35,58,70,76,85],"simulated":[2],"STM":[3],"images":[4],"obtained":[5],"by":[6],"increasing":[7],"amount":[9],"of":[10,19,29,38,69,75],"intercalated":[11,56,86],"ions":[12,54,87],"per":[13],"area":[14],"suggest":[15],"that":[16],"presence":[18],"more":[20,93],"than":[21],"one":[22],"ion":[23],"is":[24,51],"needed":[25],"for":[26],"deformation":[28,50],"uppermost":[31],"graphite":[32],"layer":[33,92],"during":[34],"early":[36],"stages":[37],"intercalation.":[39,77],"In":[40],"contrast,":[41],"in":[42,89],"a":[43,73,90],"multilayer":[44],"graphene":[45,82],"system,":[46],"no":[47],"significant":[48],"surface":[49,91],"detected":[52],"when":[53],"are":[55],"between":[57],"third":[59],"and":[60],"fourth":[61],"layers.":[62],"Charge":[63],"analysis":[64],"indicates":[65],"an":[66],"altered":[67],"distribution":[68],"charges":[71],"as":[72],"consequence":[74],"The":[78],"charge":[79],"transfer":[80],"from":[81],"layers":[83],"to":[84,95],"results":[88],"prone":[94],"oxidation.":[96]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2}],"updated_date":"2026-10-25T09:29:13.331239","created_date":"2024-02-23T00:00:00"}
