{"id":"https://openalex.org/W4412901271","doi":"https://doi.org/10.26434/chemrxiv-2025-tddw1","title":"Transformation of the Epoxy Group into an Ether Bridge in Graphene Quantum Dots: A DFT Study","display_name":"Transformation of the Epoxy Group into an Ether Bridge in Graphene Quantum Dots: A DFT Study","publication_year":2025,"publication_date":"2025-07-29","ids":{"openalex":"https://openalex.org/W4412901271","doi":"https://doi.org/10.26434/chemrxiv-2025-tddw1"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv-2025-tddw1","doi":"https://doi.org/10.26434/chemrxiv-2025-tddw1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-tddw1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-tddw1-v2","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-tddw1-v2","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064964197","display_name":"Dmitry L. Romanov","orcid":"https://orcid.org/0009-0002-7174-1685","observed_orcids":["https://orcid.org/0009-0002-7174-1685"]},"institutions":[{"id":"https://openalex.org/I4210097717","display_name":"Don State Technical University","ror":"https://ror.org/00x5je630","country_code":"RU","type":"education","lineage":["https://openalex.org/I4210097717"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Dmitry Romanov","raw_affiliation_strings":["Don State Technical University"],"raw_orcid":"https://orcid.org/0009-0002-7174-1685","affiliations":[{"raw_affiliation_string":"Don State Technical University","institution_ids":["https://openalex.org/I4210097717"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011072577","display_name":"Igor V. Ershov","orcid":"https://orcid.org/0000-0003-4813-7463","observed_orcids":["https://orcid.org/0000-0003-4813-7463"]},"institutions":[{"id":"https://openalex.org/I4210097717","display_name":"Don State Technical University","ror":"https://ror.org/00x5je630","country_code":"RU","type":"education","lineage":["https://openalex.org/I4210097717"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Igor Ershov","raw_affiliation_strings":["Don State Technical University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Don State Technical University","institution_ids":["https://openalex.org/I4210097717"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5112976796","display_name":"Anatoly A. Lavrentyev","orcid":"https://orcid.org/0009-0005-4726-0162","observed_orcids":["https://orcid.org/0009-0005-4726-0162"]},"institutions":[{"id":"https://openalex.org/I4210097717","display_name":"Don State Technical University","ror":"https://ror.org/00x5je630","country_code":"RU","type":"education","lineage":["https://openalex.org/I4210097717"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Anatoly Lavrentyev","raw_affiliation_strings":["Don State Technical University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Don State Technical University","institution_ids":["https://openalex.org/I4210097717"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I4210097717"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11342","display_name":"Carbon and Quantum Dots Applications","score":0.7085000276565552,"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/T11342","display_name":"Carbon and Quantum Dots Applications","score":0.7085000276565552,"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/T10083","display_name":"Graphene research and applications","score":0.2667999863624573,"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/T10478","display_name":"Diamond and Carbon-based Materials Research","score":0.004699999932199717,"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/graphene-quantum-dots","display_name":"graphene quantum dots","score":1.0},{"id":"https://openalex.org/keywords/epoxy-groups","display_name":"epoxy groups","score":0.7670000195503235},{"id":"https://openalex.org/keywords/ether-bridge","display_name":"ether bridge","score":0.9769999980926514},{"id":"https://openalex.org/keywords/functional-group-transformation","display_name":"functional group transformation","score":0.8489999771118164},{"id":"https://openalex.org/keywords/metastable-configurations","display_name":"metastable configurations","score":0.9620000123977661},{"id":"https://openalex.org/keywords/thermal-activation","display_name":"thermal activation","score":0.8610000014305115},{"id":"https://openalex.org/keywords/binding-energy","display_name":"binding energy","score":0.9829999804496765},{"id":"https://openalex.org/keywords/band-gap","display_name":"band gap","score":0.8790000081062317}],"concepts":[{"id":"https://openalex.org/C30080830","wikidata":"https://www.wikidata.org/wiki/Q169917","display_name":"Graphene","level":2,"score":0.7748426795005798},{"id":"https://openalex.org/C166595027","wikidata":"https://www.wikidata.org/wiki/Q143983","display_name":"Epoxy","level":2,"score":0.7353957891464233},{"id":"https://openalex.org/C100776233","wikidata":"https://www.wikidata.org/wiki/Q2532492","display_name":"Bridge (graph theory)","level":2,"score":0.7148535847663879},{"id":"https://openalex.org/C204241405","wikidata":"https://www.wikidata.org/wiki/Q461499","display_name":"Transformation (genetics)","level":3,"score":0.660090446472168},{"id":"https://openalex.org/C124657808","wikidata":"https://www.wikidata.org/wiki/Q1133068","display_name":"Quantum dot","level":2,"score":0.557765781879425},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.5072007179260254},{"id":"https://openalex.org/C2780407432","wikidata":"https://www.wikidata.org/wiki/Q103230","display_name":"Ether","level":2,"score":0.4708371162414551},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.43708378076553345},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3876287639141083},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3463571071624756},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3148498833179474},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.26768964529037476},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.21220365166664124},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.13869085907936096},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1162213385105133},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv-2025-tddw1","doi":"https://doi.org/10.26434/chemrxiv-2025-tddw1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-tddw1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-tddw1-v2","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv-2025-tddw1","doi":"https://doi.org/10.26434/chemrxiv-2025-tddw1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv-2025-tddw1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv-2025-tddw1-v2","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3538445144","display_name":null,"funder_award_id":"25-23-00378","funder_id":"https://openalex.org/F4320324099","funder_display_name":"Russian Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320324099","display_name":"Russian Science Foundation","ror":"https://ror.org/03y2gwe85"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4412901271.pdf","grobid_xml":"https://content.openalex.org/works/W4412901271.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7166557192","https://openalex.org/W4412393580","https://openalex.org/W2807575936","https://openalex.org/W4416407663","https://openalex.org/W4412418143","https://openalex.org/W4413179621","https://openalex.org/W3211083346","https://openalex.org/W2533536781","https://openalex.org/W2005322335","https://openalex.org/W4392557495"],"abstract_inverted_index":{"In":[0],"this":[1],"work,":[2],"the":[3,6,29,38,43,46,50],"transformation":[4,39],"of":[5,23,31,45,58],"epoxy":[7],"functional":[8],"group":[9],"into":[10],"an":[11],"ether":[12,47],"bridge":[13,48],"in":[14,52],"graphene":[15],"quantum":[16],"dots":[17],"(GQDs)":[18],"is":[19],"investigated.":[20],"Metastable":[21],"configurations":[22],"GQDs":[24,59],"were":[25,40],"studied":[26],"to":[27,49],"minimize":[28],"influence":[30],"thermal":[32],"activation.":[33],"The":[34],"key":[35],"factors":[36],"initiating":[37],"identified,":[41],"and":[42,55],"contribution":[44],"changes":[51],"binding":[53],"energy":[54],"band":[56],"gap":[57],"was":[60],"determined.":[61]},"counts_by_year":[],"updated_date":"2026-10-27T15:51:10.671819","created_date":"2025-10-10T00:00:00"}