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dc.contributor.advisorMiralrio Pineda, Alan Joel
dc.contributor.authorGutiérrez Rodríguez, Josué
dc.creatorREYES RETANA, JOSE ANGEL; 2168988
dc.date.accessioned2024-05-02T19:07:20Z
dc.date.available2024-05-02T19:07:20Z
dc.date.issued2022-11-27
dc.identifier.citationGutierrez Rodríguz, J.(2022). Adsorption of diatomic greenhouse gases and compounds using molybdenum disulphide monolayers: First principles studies [Unpublished master's thesis]. Instituto Tecnológico y de Estudios Superiores de Monterrey. Recuperado de: https://hdl.handle.net/11285/652450es_MX
dc.identifier.urihttps://hdl.handle.net/11285/652450
dc.description.abstractCurrently, the amount of greenhouse gases has increased dramatically due to human activities. Its negative impacts could be mitigated by the research of novel materials. Restrictions of size, in one or more dimensions, changes some properties of materials such as bidimensional materials (2D). The adsorption of pollutant gases on graphene has shown stability issues. However, some studies suggest that the adsorption on molybdenum disulfide monolayer is stable, although its surface is chemically inert and needs to be activated. Molybdenum disulfide monolayer can be chemically activated by point defects, for example, small clusters of coinage metals (Au, Ag or Cu). Dispersion-corrected density functional theory will allow analyzing some properties of group 11 small clusters embedded into MoS2 monolayers and their interaction with greenhouse gases and common atmospheric components. The chemical bonding was analyzed in terms of projected density of states and Bader charges. Simulation results will contribute to the production of theoretical data needed for a better understanding of physical-chemical properties and hence the development of greenhouse gas mitigation systems. Findings will be communicated to contribute to the research of novel methods for the reduction of greenhouse gas levels by using this modified bi dimensional material.es_MX
dc.format.mediumTextoes_MX
dc.language.isoenges_MX
dc.publisherInstituto Tecnológico y de Estudios Superiores de Monterreyes_MX
dc.relation.isFormatOfacceptedVersiones_MX
dc.relation.isreferencedbyREPOSITORIO NACIONAL CONACYT
dc.rightsopenAccesses_MX
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0es_MX
dc.subject.classificationINGENIERÍA Y TECNOLOGÍA::CIENCIAS TECNOLÓGICAS::INGENIERÍA Y TECNOLOGÍA DEL MEDIO AMBIENTE::INGENIERÍA DE LA CONTAMINACIÓNes_MX
dc.subject.lcshSciencees_MX
dc.titleAdsorption of diatomic greenhouse gases and compounds using molybdenum disulphide monolayers: First principles studieses_MX
dc.typeTesis de Maestría / master Thesises_MX
dc.contributor.departmentSchool of Engineering and Scienceses_MX
dc.contributor.committeememberReyes Retana, José Angel
dc.contributor.mentorMedina Medina, Dora Iliana
dc.subject.keywordMoS2es_MX
dc.subject.keywordDiatomic greenhosue gaseses_MX
dc.subject.keywordAdsorptiones_MX
dc.subject.keywordCoinage metalses_MX
dc.subject.keywordDefectes_MX
dc.contributor.institutionCampus Estado de Méxicoes_MX
dc.contributor.catalogerpuemcuervo, emipsanchezes_MX
dc.description.degreeMaster of Science in Nanotechnologyes_MX
dc.identifier.cvu1098787es_MX
dc.date.accepted2022-12-02
dc.audience.educationlevelEstudiantes/Studentses_MX
dc.identificator7||33||3308||330804es_MX


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