New insights into NO adsorption on alkali metal and transition metal doped graphene nanoribbon surface: A DFT approach.

R, Deji; Verma, Akarsh; Choudhary, B C; Sharma, Ramesh K

R, Deji; Verma, Akarsh; Choudhary, B C; Sharma, Ramesh K.

Afiliação

R D; Department of Physics, Panjab University, Chandigarh, 160014, India.
Verma A; Department of Mechanical Engineering, Brigham Young University, Provo, UT, 84602, USA.
Choudhary BC; National Institute of Technical Teachers Training & Research (NITTTR), Chandigarh, 160019, India.
Sharma RK; CIL/SAIF/UCIM, Panjab University, Chandigarh, 160014, India. Electronic address: ramesh@pu.ac.in.

J Mol Graph Model ; 111: 108109, 2022 03.

Article em En | MEDLINE | ID: mdl-34952481

Assuntos

Grafite; Nanotubos de Carbono; Adsorção; Íons; Lítio

Palavras-chave

DFT; Gas sensing; Graphene nanoribbon; Iron (Fe); Lithium (Li); Nitrogen oxide (NO)

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Nanotubos de Carbono / Grafite Idioma: En Revista: J Mol Graph Model Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Índia

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