High-Level Multireference Investigations on the Electronic States in Single-Vacancy (SV) Graphene Defects Using a Pyrene-SV Model.

Nieman, Reed; Oliveira, Vytor P; Jayee, Bhumika; Aquino, Adelia J A; Machado, Francisco B C; Lischka, Hans.

Afiliação

Nieman R; Department of Chemistry and Biochemistry, Texas Tech University Lubbock, Texas 79409-1061, United States.
Oliveira VP; Departamento de Química, Instituto Tecnológico da Aeronáutica, 12228-900 São José dos Campos-SP, Brazil.
Jayee B; Department of Chemistry and Biochemistry, Texas Tech University Lubbock, Texas 79409-1061, United States.
Aquino AJA; Department of Mechanical Engineering, Texas Tech University, Lubbock, Texas 79409, United States.
Machado FBC; Departamento de Química, Instituto Tecnológico da Aeronáutica, 12228-900 São José dos Campos-SP, Brazil.
Lischka H; Department of Chemistry and Biochemistry, Texas Tech University Lubbock, Texas 79409-1061, United States.

J Phys Chem A ; 127(40): 8287-8296, 2023 Oct 12.

Article em En | MEDLINE | ID: mdl-37788047

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article