Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel-Reference-Cited by-同舟云学术

Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

Published:2010-02-26 Issue:11 Volume:114 Page:4939-4949
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Mueller Jonathan E.¹,van Duin Adri C. T.¹,Goddard William A.¹

Affiliation:

1. Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, and Department of Mechanical and Nuclear Engineering, Penn State University, University Park, Pennsylvania 16801

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/jp9035056

Reference71 articles.

1. Dissociation of CH4 on Ni(111) and Ru(0001)

2. Versatile Synthesis of Individual Single-Walled Carbon Nanotubes from Nickel Nanoparticles for the Study of Their Physical Properties

3. Observation and Mechanism of Collision-Induced Desorption: CH4on Ni(111)

4. Collision induced dissociative chemisorption of CH4 on Ni(111) by inert gas atoms: The mechanism for chemistry with a hammer

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