{"id":"https://openalex.org/W3208983154","doi":"https://doi.org/10.1021/acs.jcim.1c00849","title":"Thermal Sensitivity on Eccentric Gold Hollow Nanoparticles: A Perspective from Atomistic Simulations","display_name":"Thermal Sensitivity on Eccentric Gold Hollow Nanoparticles: A Perspective from Atomistic Simulations","publication_year":2021,"publication_date":"2021-11-02","ids":{"openalex":"https://openalex.org/W3208983154","doi":"https://doi.org/10.1021/acs.jcim.1c00849","mag":"3208983154","pmid":"https://pubmed.ncbi.nlm.nih.gov/34726404"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.1c00849","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c00849","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","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/A5076074748","display_name":"Felipe J. Valencia","orcid":"https://orcid.org/0000-0002-5461-6885"},"institutions":[{"id":"https://openalex.org/I116419501","display_name":"Universidad Mayor","ror":"https://ror.org/00pn44t17","country_code":"CL","type":"education","lineage":["https://openalex.org/I116419501"]}],"countries":["CL"],"is_corresponding":true,"raw_author_name":"Felipe J. Valencia","raw_affiliation_strings":["Centro de Investigaci\u00f3n DAiTA Lab, Facultad de Estudios Interdisciplinarios, Universidad Mayor, Santiago 7510041, Chile","Centro para el Desarrollo de la Nanociencia y la Nanotecnolog\u00eda, CEDENNA, Avda. Ecuador 3493, Santiago 9170124, Chile"],"raw_orcid":"https://orcid.org/0000-0002-5461-6885","affiliations":[{"raw_affiliation_string":"Centro de Investigaci\u00f3n DAiTA Lab, Facultad de Estudios Interdisciplinarios, Universidad Mayor, Santiago 7510041, Chile","institution_ids":["https://openalex.org/I116419501"]},{"raw_affiliation_string":"Centro para el Desarrollo de la Nanociencia y la Nanotecnolog\u00eda, CEDENNA, Avda. Ecuador 3493, Santiago 9170124, Chile","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037430233","display_name":"Max Ram\u00edrez","orcid":"https://orcid.org/0000-0002-3019-0015"},"institutions":[{"id":"https://openalex.org/I69737025","display_name":"University of Chile","ror":"https://ror.org/047gc3g35","country_code":"CL","type":"education","lineage":["https://openalex.org/I69737025"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Max Ram\u00edrez","raw_affiliation_strings":["Centro para el Desarrollo de la Nanociencia y la Nanotecnolog\u00ed a, CEDENNA, Avda. Ecuador 3493, Santiago 9170124, Chile","Departamento de F\u00edsica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024, Chile"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro para el Desarrollo de la Nanociencia y la Nanotecnolog\u00ed a, CEDENNA, Avda. Ecuador 3493, Santiago 9170124, Chile","institution_ids":[]},{"raw_affiliation_string":"Departamento de F\u00edsica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024, Chile","institution_ids":["https://openalex.org/I69737025"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110605298","display_name":"Alejandro Varas","orcid":null},"institutions":[{"id":"https://openalex.org/I69737025","display_name":"University of Chile","ror":"https://ror.org/047gc3g35","country_code":"CL","type":"education","lineage":["https://openalex.org/I69737025"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Alejandro Varas","raw_affiliation_strings":["Centro para el Desarrollo de la Nanociencia y la Nanotecnolog\u00ed a, CEDENNA, Avda. Ecuador 3493, Santiago 9170124, Chile","Departamento de F\u00edsica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024, Chile"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro para el Desarrollo de la Nanociencia y la Nanotecnolog\u00ed a, CEDENNA, Avda. Ecuador 3493, Santiago 9170124, Chile","institution_ids":[]},{"raw_affiliation_string":"Departamento de F\u00edsica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024, Chile","institution_ids":["https://openalex.org/I69737025"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5069761660","display_name":"Jos\u00e9 Rogan","orcid":"https://orcid.org/0000-0003-1080-2739"},"institutions":[{"id":"https://openalex.org/I69737025","display_name":"University of Chile","ror":"https://ror.org/047gc3g35","country_code":"CL","type":"education","lineage":["https://openalex.org/I69737025"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 Rogan","raw_affiliation_strings":["Centro para el Desarrollo de la Nanociencia y la Nanotecnolog\u00ed a, CEDENNA, Avda. Ecuador 3493, Santiago 9170124, Chile","Departamento de F\u00edsica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024, Chile"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro para el Desarrollo de la Nanociencia y la Nanotecnolog\u00ed a, CEDENNA, Avda. Ecuador 3493, Santiago 9170124, Chile","institution_ids":[]},{"raw_affiliation_string":"Departamento de F\u00edsica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024, Chile","institution_ids":["https://openalex.org/I69737025"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5076074748"],"corresponding_institution_ids":["https://openalex.org/I116419501"],"apc_list":null,"apc_paid":null,"fwci":0.1803,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.34296633,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"61","issue":"11","first_page":"5499","last_page":"5507"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10131","display_name":"Gold and Silver Nanoparticles Synthesis and Applications","score":0.9995999932289124,"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"}},"topics":[{"id":"https://openalex.org/T10131","display_name":"Gold and Silver Nanoparticles Synthesis and Applications","score":0.9995999932289124,"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/T12149","display_name":"Nanocluster Synthesis and Applications","score":0.9991999864578247,"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/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/eccentricity","display_name":"Eccentricity (behavior)","score":0.7219716310501099},{"id":"https://openalex.org/keywords/nanoparticle","display_name":"Nanoparticle","score":0.6939772963523865},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.6823238730430603},{"id":"https://openalex.org/keywords/nucleation","display_name":"Nucleation","score":0.6241509914398193},{"id":"https://openalex.org/keywords/thermal","display_name":"Thermal","score":0.5355479717254639},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.533856213092804},{"id":"https://openalex.org/keywords/thermal-stability","display_name":"Thermal stability","score":0.5330134034156799},{"id":"https://openalex.org/keywords/stacking","display_name":"Stacking","score":0.5025067329406738},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.5008602142333984},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.46060115098953247},{"id":"https://openalex.org/keywords/shell","display_name":"Shell (structure)","score":0.4385010600090027},{"id":"https://openalex.org/keywords/chemical-engineering","display_name":"Chemical engineering","score":0.21604737639427185},{"id":"https://openalex.org/keywords/composite-material","display_name":"Composite material","score":0.20499390363693237},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.16453954577445984},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.15898635983467102},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.15343666076660156},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.1294565498828888},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance","display_name":"Nuclear magnetic resonance","score":0.08079338073730469}],"concepts":[{"id":"https://openalex.org/C190538878","wikidata":"https://www.wikidata.org/wiki/Q50013","display_name":"Eccentricity (behavior)","level":2,"score":0.7219716310501099},{"id":"https://openalex.org/C155672457","wikidata":"https://www.wikidata.org/wiki/Q61231","display_name":"Nanoparticle","level":2,"score":0.6939772963523865},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6823238730430603},{"id":"https://openalex.org/C61048295","wikidata":"https://www.wikidata.org/wiki/Q909022","display_name":"Nucleation","level":2,"score":0.6241509914398193},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.5355479717254639},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.533856213092804},{"id":"https://openalex.org/C59061564","wikidata":"https://www.wikidata.org/wiki/Q7783071","display_name":"Thermal stability","level":2,"score":0.5330134034156799},{"id":"https://openalex.org/C33347731","wikidata":"https://www.wikidata.org/wiki/Q285210","display_name":"Stacking","level":2,"score":0.5025067329406738},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5008602142333984},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.46060115098953247},{"id":"https://openalex.org/C2781052500","wikidata":"https://www.wikidata.org/wiki/Q2230313","display_name":"Shell (structure)","level":2,"score":0.4385010600090027},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.21604737639427185},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.20499390363693237},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.16453954577445984},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.15898635983467102},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.15343666076660156},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1294565498828888},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.08079338073730469},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D006046","descriptor_name":"Gold","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006046","descriptor_name":"Gold","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D006046","descriptor_name":"Gold","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053758","descriptor_name":"Nanoparticles","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D053758","descriptor_name":"Nanoparticles","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D053758","descriptor_name":"Nanoparticles","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.1c00849","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c00849","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:34726404","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34726404","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,"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":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2924670112","display_name":null,"funder_award_id":"1190662","funder_id":"https://openalex.org/F4320338073","funder_display_name":"Fondo Nacional de Desarrollo Cient\u00edfico y Tecnol\u00f3gico"},{"id":"https://openalex.org/G4145543399","display_name":null,"funder_award_id":"11190484","funder_id":"https://openalex.org/F4320338073","funder_display_name":"Fondo Nacional de Desarrollo Cient\u00edfico y Tecnol\u00f3gico"},{"id":"https://openalex.org/G8368533212","display_name":null,"funder_award_id":"AFB180001","funder_id":"https://openalex.org/F4320334812","funder_display_name":"Comisi\u00f3n Nacional de Investigaci\u00f3n Cient\u00edfica y Tecnol\u00f3gica"}],"funders":[{"id":"https://openalex.org/F4320334812","display_name":"Comisi\u00f3n Nacional de Investigaci\u00f3n Cient\u00edfica y Tecnol\u00f3gica","ror":"https://ror.org/02ap3w078"},{"id":"https://openalex.org/F4320338073","display_name":"Fondo Nacional de Desarrollo Cient\u00edfico y Tecnol\u00f3gico","ror":"https://ror.org/02ap3w078"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":62,"referenced_works":["https://openalex.org/W1969211231","https://openalex.org/W1986740670","https://openalex.org/W1988032142","https://openalex.org/W1997577627","https://openalex.org/W2008643266","https://openalex.org/W2010827270","https://openalex.org/W2013783295","https://openalex.org/W2016555306","https://openalex.org/W2018132424","https://openalex.org/W2018476602","https://openalex.org/W2019386678","https://openalex.org/W2019465613","https://openalex.org/W2021674276","https://openalex.org/W2024106959","https://openalex.org/W2024297957","https://openalex.org/W2027748693","https://openalex.org/W2042605078","https://openalex.org/W2044028691","https://openalex.org/W2045466665","https://openalex.org/W2047653895","https://openalex.org/W2047968138","https://openalex.org/W2052505287","https://openalex.org/W2055639494","https://openalex.org/W2056969792","https://openalex.org/W2062401056","https://openalex.org/W2078215535","https://openalex.org/W2083310375","https://openalex.org/W2088770553","https://openalex.org/W2131166410","https://openalex.org/W2139683943","https://openalex.org/W2141258940","https://openalex.org/W2141738606","https://openalex.org/W2148332810","https://openalex.org/W2151665064","https://openalex.org/W2166349229","https://openalex.org/W2168624649","https://openalex.org/W2269842184","https://openalex.org/W2320825742","https://openalex.org/W2325001302","https://openalex.org/W2334919103","https://openalex.org/W2343301825","https://openalex.org/W2398946404","https://openalex.org/W2525724154","https://openalex.org/W2570692781","https://openalex.org/W2752976733","https://openalex.org/W2765757061","https://openalex.org/W2767288762","https://openalex.org/W2768739151","https://openalex.org/W2789568176","https://openalex.org/W2884024187","https://openalex.org/W2885483166","https://openalex.org/W2887188582","https://openalex.org/W2909731512","https://openalex.org/W2912845779","https://openalex.org/W2936950287","https://openalex.org/W3000044165","https://openalex.org/W3010763515","https://openalex.org/W3016928815","https://openalex.org/W3097695212","https://openalex.org/W3103133276","https://openalex.org/W3103563644","https://openalex.org/W3156078802"],"related_works":["https://openalex.org/W2035329725","https://openalex.org/W4376641153","https://openalex.org/W2070875936","https://openalex.org/W4250391473","https://openalex.org/W3045075405","https://openalex.org/W4302292679","https://openalex.org/W4241625287","https://openalex.org/W2050788868","https://openalex.org/W4295885776","https://openalex.org/W2027634686"],"abstract_inverted_index":{"Eccentricity":[0],"is":[1,21,100],"a":[2,65,127,136],"common":[3],"feature":[4],"consequence":[5],"of":[6,10,41,54,72,108,153],"several":[7],"synthesis":[8],"protocols":[9],"hollow":[11,43],"nanoshells.":[12],"Despite":[13],"the":[14,29,32,38,69,79,87,92,106,112,124,132],"crescent":[15],"interest":[16],"in":[17,68,147],"these":[18],"nanoparticles,":[19],"it":[20],"still":[22],"unclear":[23],"how":[24],"an":[25],"irregular":[26,80],"layer":[27],"on":[28,144],"nanoparticle":[30,93],"impacts":[31],"macroscopic":[33],"properties.":[34],"Here,":[35],"we":[36],"study":[37,143],"thermal":[39,70,145],"stability":[40,71],"eccentric":[42,122,133,148],"nanoparticles":[44],"(hNPs)":[45],"for":[46,114,119,157],"different":[47],"sizes":[48],"and":[49,159],"eccentricity":[50,63],"values":[51],"by":[52,105],"means":[53],"classical":[55],"molecular":[56],"dynamics":[57],"simulations.":[58],"Our":[59],"results":[60],"reveal":[61],"that":[62,141],"displays":[64],"significant":[66],"role":[67],"hNPs.":[73],"We":[74,139],"attribute":[75],"this":[76],"behavior":[77],"to":[78,86],"shell":[81,125],"contour,":[82],"which":[83],"collapses":[84],"due":[85],"thermal-activated":[88],"diffusive":[89],"process":[90],"from":[91],"shell's":[94],"most":[95],"thin":[96],"region.":[97],"The":[98],"mechanism":[99],"driven":[101],"at":[102],"low":[103],"temperature":[104,116],"nucleation":[107],"stacking":[109],"faults":[110],"until":[111],"amorphization":[113],"larger":[115],"values.":[117],"Besides,":[118],"some":[120],"particular":[121],"hNPs,":[123],"suffers":[126],"surface":[128],"reconstruction":[129],"process,":[130],"transforming":[131],"hNP":[134],"into":[135],"concentric":[137],"hNP.":[138],"believe":[140],"our":[142],"effects":[146],"hNPs":[149],"has":[150],"relevance":[151],"because":[152],"their":[154],"outstanding":[155],"applications":[156],"plasmonic":[158],"sensing.":[160]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2}],"updated_date":"2026-07-22T07:51:19.307946","created_date":"2025-10-10T00:00:00"}