Predicting Free Energies of Exfoliation and Solvation for Graphitic Carbon Nitrides Using Machine Learning.

Shahini, Ehsan; Chaulagain, Narendra; Shankar, Karthik; Tang, Tian

Shahini, Ehsan; Chaulagain, Narendra; Shankar, Karthik; Tang, Tian.

Afiliación

Shahini E; Department of Mechanical Engineering, University of Alberta, Edmonton, AB T6G 1H9, Canada.
Chaulagain N; Department of Electrical and Computer Engineering, University of Alberta, Edmonton, AB T6G 1H9, Canada.
Shankar K; Department of Electrical and Computer Engineering, University of Alberta, Edmonton, AB T6G 1H9, Canada.
Tang T; Department of Mechanical Engineering, University of Alberta, Edmonton, AB T6G 1H9, Canada.

ACS Appl Mater Interfaces ; 15(46): 53786-53801, 2023 Nov 22.

Article en En | MEDLINE | ID: mdl-37938813

Palabras clave

free energy of exfoliation; graphitic carbon nitride; liquid-phase exfoliation; machine learning algorithms; molecular dynamics simulations; solvation free energy

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: ACS Appl Mater Interfaces Asunto de la revista: BIOTECNOLOGIA / ENGENHARIA BIOMEDICA Año: 2023 Tipo del documento: Article País de afiliación: Canadá Pais de publicación: Estados Unidos

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