Development of a ReaxFF Reactive Force Field for the Pt-Ni Alloy Catalyst.

Shin, Yun Kyung; Gai, Lili; Raman, Sumathy; van Duin, Adri C T.

Afiliação

Shin YK; Department of Mechanical and Nuclear Engineering, The Pennsylvania State University , University Park, Pennsylvania 16802, United States.
Gai L; Department of Mechanical and Nuclear Engineering, The Pennsylvania State University , University Park, Pennsylvania 16802, United States.
Raman S; ExxonMobil Research and Engineering Co. , Annandale, New Jersey 08801, United States.
van Duin ACT; Department of Mechanical and Nuclear Engineering, The Pennsylvania State University , University Park, Pennsylvania 16802, United States.

J Phys Chem A ; 120(41): 8044-8055, 2016 Oct 20.

Article em En | MEDLINE | ID: mdl-27670674

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article