Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process

"Graphene oxide (GO) is one of the carbon nanomaterials used most in novel applications due to its easy synthesis, easy exfoliation, doping potential performance, and good compatibility in composites. Mechanochemical method is used for GO reduction and doping during ball milling (BM) process. U...

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Detalles Bibliográficos
Autores: ROQUE SANCHEZ SALAS, Emilio Muñoz Sandoval, Morinobu Endo, Aarón Morelos Gómez, FLORENTINO LOPEZ URIAS
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2021
País:México
Institución:Instituto Potosino de Investigación Científica y Tecnológica
Repositorio:Repositorio Institucional del IPICYT
OAI Identifier:oai:ipicyt.repositorioinstitucional.mx:1010/2373
Acceso en línea:http://ipicyt.repositorioinstitucional.mx/jspui/handle/1010/2373
Access Level:acceso embargado
Palabra clave:info:eu-repo/classification/Autor/Ball-milling
info:eu-repo/classification/Autor/Doping
info:eu-repo/classification/Autor/Graphene oxide
info:eu-repo/classification/Autor/Graphite
info:eu-repo/classification/Autor/Nitrogen
info:eu-repo/classification/Autor/Sulfur
info:eu-repo/classification/cti/2
info:eu-repo/classification/cti/23
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spelling Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical ProcessROQUE SANCHEZ SALASEmilio Muñoz SandovalMorinobu EndoAarón Morelos GómezFLORENTINO LOPEZ URIASinfo:eu-repo/classification/Autor/Ball-millinginfo:eu-repo/classification/Autor/Dopinginfo:eu-repo/classification/Autor/Graphene oxideinfo:eu-repo/classification/Autor/Graphiteinfo:eu-repo/classification/Autor/Nitrogeninfo:eu-repo/classification/Autor/Sulfurinfo:eu-repo/classification/cti/2info:eu-repo/classification/cti/23info:eu-repo/classification/cti/23"Graphene oxide (GO) is one of the carbon nanomaterials used most in novel applications due to its easy synthesis, easy exfoliation, doping potential performance, and good compatibility in composites. Mechanochemical method is used for GO reduction and doping during ball milling (BM) process. Urea and thiourea molecules are employed as nitrogen (N) and sulfur‐nitrogen (S,N) dopant agents, respectively. The elemental composition of BM‐GO‐urea exhibits 7.7 at% of N, whereas BM‐GO‐thiourea displays 6 at% of S with 5.6 at% of N. Using density functional calculations, urea, and thiourea molecules are covalently joined to the carboxyl functional groups. It is shown that nitrogen doping favors a HOMO energy decrement when the molecules are directly attached to graphene sheets in the absence of carboxyl groups, making it energetically less expensive to share electrons in undoped nanomaterials. In contrast, the urea and thiourea molecules joined to graphene sheets via carboxyl groups with deep HOMO energies and low nitrogen‐doping variations. The results demonstrate the viability of the BM technique for GO reduction and N/S dope‐functionalize. Furthermore, the mechanochemical methodology described is employed in graphite with urea and thiourea molecules to contrast results."Wiley2021info:eu-repo/date/embargoEnd/2022-03-31info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttp://ipicyt.repositorioinstitucional.mx/jspui/handle/1010/2373reponame:Repositorio Institucional del IPICYTinstname:Instituto Potosino de Investigación Científica y Tecnológicainstacron:IPICYTinfo:eu-repo/semantics/altIdentifier/DOI/https://doi.org/10.1002/adem.202001444citation:Sánchez-Salas, R., Muñoz-Sandoval, E., Endo, M., Morelos-Gómez, A. and López-Urías, F. (2021), Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process. Adv. Eng. Mater. 2001444. https://doi.org/10.1002/adem.202001444info:eu-repo/semantics/embargoedAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0oai:ipicyt.repositorioinstitucional.mx:1010/23732024-08-28T03:17:53Z
dc.title.none.fl_str_mv Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process
title Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process
spellingShingle Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process
ROQUE SANCHEZ SALAS
info:eu-repo/classification/Autor/Ball-milling
info:eu-repo/classification/Autor/Doping
info:eu-repo/classification/Autor/Graphene oxide
info:eu-repo/classification/Autor/Graphite
info:eu-repo/classification/Autor/Nitrogen
info:eu-repo/classification/Autor/Sulfur
info:eu-repo/classification/cti/2
info:eu-repo/classification/cti/23
info:eu-repo/classification/cti/23
title_short Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process
title_full Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process
title_fullStr Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process
title_full_unstemmed Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process
title_sort Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process
dc.creator.none.fl_str_mv ROQUE SANCHEZ SALAS
Emilio Muñoz Sandoval
Morinobu Endo
Aarón Morelos Gómez
FLORENTINO LOPEZ URIAS
author ROQUE SANCHEZ SALAS
author_facet ROQUE SANCHEZ SALAS
Emilio Muñoz Sandoval
Morinobu Endo
Aarón Morelos Gómez
FLORENTINO LOPEZ URIAS
author_role author
author2 Emilio Muñoz Sandoval
Morinobu Endo
Aarón Morelos Gómez
FLORENTINO LOPEZ URIAS
author2_role author
author
author
author
dc.subject.none.fl_str_mv info:eu-repo/classification/Autor/Ball-milling
info:eu-repo/classification/Autor/Doping
info:eu-repo/classification/Autor/Graphene oxide
info:eu-repo/classification/Autor/Graphite
info:eu-repo/classification/Autor/Nitrogen
info:eu-repo/classification/Autor/Sulfur
info:eu-repo/classification/cti/2
info:eu-repo/classification/cti/23
info:eu-repo/classification/cti/23
topic info:eu-repo/classification/Autor/Ball-milling
info:eu-repo/classification/Autor/Doping
info:eu-repo/classification/Autor/Graphene oxide
info:eu-repo/classification/Autor/Graphite
info:eu-repo/classification/Autor/Nitrogen
info:eu-repo/classification/Autor/Sulfur
info:eu-repo/classification/cti/2
info:eu-repo/classification/cti/23
info:eu-repo/classification/cti/23
description "Graphene oxide (GO) is one of the carbon nanomaterials used most in novel applications due to its easy synthesis, easy exfoliation, doping potential performance, and good compatibility in composites. Mechanochemical method is used for GO reduction and doping during ball milling (BM) process. Urea and thiourea molecules are employed as nitrogen (N) and sulfur‐nitrogen (S,N) dopant agents, respectively. The elemental composition of BM‐GO‐urea exhibits 7.7 at% of N, whereas BM‐GO‐thiourea displays 6 at% of S with 5.6 at% of N. Using density functional calculations, urea, and thiourea molecules are covalently joined to the carboxyl functional groups. It is shown that nitrogen doping favors a HOMO energy decrement when the molecules are directly attached to graphene sheets in the absence of carboxyl groups, making it energetically less expensive to share electrons in undoped nanomaterials. In contrast, the urea and thiourea molecules joined to graphene sheets via carboxyl groups with deep HOMO energies and low nitrogen‐doping variations. The results demonstrate the viability of the BM technique for GO reduction and N/S dope‐functionalize. Furthermore, the mechanochemical methodology described is employed in graphite with urea and thiourea molecules to contrast results."
publishDate 2021
dc.date.none.fl_str_mv 2021
info:eu-repo/date/embargoEnd/2022-03-31
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv http://ipicyt.repositorioinstitucional.mx/jspui/handle/1010/2373
url http://ipicyt.repositorioinstitucional.mx/jspui/handle/1010/2373
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/DOI/https://doi.org/10.1002/adem.202001444
citation:Sánchez-Salas, R., Muñoz-Sandoval, E., Endo, M., Morelos-Gómez, A. and López-Urías, F. (2021), Nitrogen and Sulfur Incorporation into Graphene Oxide by Mechanical Process. Adv. Eng. Mater. 2001444. https://doi.org/10.1002/adem.202001444
dc.rights.none.fl_str_mv info:eu-repo/semantics/embargoedAccess
http://creativecommons.org/licenses/by-nc-nd/4.0
eu_rights_str_mv embargoedAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-nd/4.0
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv reponame:Repositorio Institucional del IPICYT
instname:Instituto Potosino de Investigación Científica y Tecnológica
instacron:IPICYT
instname_str Instituto Potosino de Investigación Científica y Tecnológica
instacron_str IPICYT
institution IPICYT
reponame_str Repositorio Institucional del IPICYT
collection Repositorio Institucional del IPICYT
repository.name.fl_str_mv
repository.mail.fl_str_mv
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