Exploring Librational Pathways with on-the-Fly Machine-Learning Force Fields: Methylammonium Molecules in MAPbX<sub>3</sub> (X = I, Br, Cl) Perovskites.

Bokdam, Menno; Lahnsteiner, Jonathan; Sarma, D D

Exploring Librational Pathways with on-the-Fly Machine-Learning Force Fields: Methylammonium Molecules in MAPbX₃ (X = I, Br, Cl) Perovskites.

Bokdam, Menno; Lahnsteiner, Jonathan; Sarma, D D.

Afiliação

Bokdam M; Faculty of Science and Technology and MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands.
Lahnsteiner J; Faculty of Physics and Center for Computational Materials Sciences, University of Vienna, A-1090 Vienna, Austria.
Sarma DD; Faculty of Science and Technology and MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands.

J Phys Chem C Nanomater Interfaces ; 125(38): 21077-21086, 2021 Sep 30.

Article em En | MEDLINE | ID: mdl-34621459

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem C Nanomater Interfaces Ano de publicação: 2021 Tipo de documento: Article

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