Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response.

Kosar, Naveen; Shehzadi, Kiran; Ayub, Khurshid; Mahmood, Tariq

Kosar, Naveen; Shehzadi, Kiran; Ayub, Khurshid; Mahmood, Tariq.

Afiliación

Kosar N; Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, 22060, Pakistan.
Shehzadi K; Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, 22060, Pakistan.
Ayub K; Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, 22060, Pakistan.
Mahmood T; Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, 22060, Pakistan. Electronic address: mahmood@cuiatd.edu.pk.

J Mol Graph Model ; 97: 107573, 2020 06.

Article en En | MEDLINE | ID: mdl-32114080

Asunto(s)

Electrónica; Electrones; Grafito; Modelos Moleculares; Conformación Molecular

Palabras clave

Density functional theory (DFT); Graphdiyne; Hyperpolarizability; Nonlinear optics (NLO)

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Electrónica / Electrones Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2020 Tipo del documento: Article País de afiliación: Pakistán

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