Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS 2

Mohammadtabar, Karen; Guerrero, Enrique; Romero Garcia, Sergio; Shin, Yun Kyung; van Duin, Adri C.  T.; Strubbe, David A.; Martini, Ashlie

doi:10.1021/acs.jpcc.3c00668

Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS ₂

Journal Article · Wed Jun 14 00:00:00 EDT 2023 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.3c00668· OSTI ID:2422925

^[1]; Guerrero, Enrique ^[2]; ^[1]; ^[3]; ^[3]; ^[2]; ^[1]

Department of Mechanical Engineering, University of California Merced, 5200 North Lake Road, Merced, California 95343, United States
Department of Physics, University of California Merced, 5200 North Lake Road, Merced, California 95343, United States
Department of Mechanical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States

Not provided.

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC02-05CH11231

OSTI ID:: 2422925

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 25 Vol. 127; ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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