Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS<sub>2</sub>-Reference-Cited by-同舟云学术

Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS₂

Published:2023-06-14 Issue:25 Volume:127 Page:12171-12183
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Mohammadtabar Karen¹^ORCID,Guerrero Enrique²,Romero Garcia Sergio¹^ORCID,Shin Yun Kyung³^ORCID,van Duin Adri C. T.³^ORCID,Strubbe David A.²^ORCID,Martini Ashlie¹^ORCID

Affiliation:

1. Department of Mechanical Engineering, University of California Merced, 5200 North Lake Road, Merced, California 95343, United States

2. Department of Physics, University of California Merced, 5200 North Lake Road, Merced, California 95343, United States

3. Department of Mechanical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States

Funder

University of California Merced

National Aeronautics and Space Administration

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c00668

Reference90 articles.

1. Identification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts

2. Ni-Doped MoS2 Nanoparticles Prepared via Core–Shell Nanoclusters and Catalytic Activity for Upgrading Heavy Oil

3. Formation and Catalytic Properties of Edge-Bonded Molybdenum Sulfide Catalysts on TiO2

4. Size-dependent optical properties of MoS2 nanoparticles and their photo-catalytic applications

5. Triggering the electrocatalytic hydrogen evolution activity of the inert two-dimensional MoS2 surface via single-atom metal doping

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