The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory

Max Pinheiro JrDepartamento de Química, Instituto Tecnológico de Aeronáutica, São Paulo, BrazilView further author information

Daniely V. V. CardosoDepartamento de Química, Instituto Tecnológico de Aeronáutica, São Paulo, BrazilView further author information

Adélia J. A. AquinoDepartment of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX, USA;School of Pharmaceutical Sciences and Technology, Tianjin University, Tianjin, People’s Republic of China;Institute for Theoretical Chemistry, University of ViennaVienna, AustriaView further author information

Francisco B. C. MachadoDepartamento de Química, Instituto Tecnológico de Aeronáutica, São Paulo, BrazilCorrespondence[email protected]
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Hans LischkaDepartment of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX, USA;School of Pharmaceutical Sciences and Technology, Tianjin University, Tianjin, People’s Republic of China;Institute for Theoretical Chemistry, University of ViennaVienna, AustriaCorrespondence[email protected]
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Pages 1519-1531 | Received 31 Aug 2018, Accepted 03 Jan 2019, Published online: 18 Jan 2019

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https://doi.org/10.1080/00268976.2019.1567848
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The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory

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The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory

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