Ab Initio Molecular Dynamics Study of Dissociative Chemisorption and Scattering of CO2 on Ni(100): Reactivity, Energy Transfer, Steering Dynamics, and Lattice Effects-Reference-Cited by-同舟云学术

Ab Initio Molecular Dynamics Study of Dissociative Chemisorption and Scattering of CO2 on Ni(100): Reactivity, Energy Transfer, Steering Dynamics, and Lattice Effects

Published:2017-03-02 Issue:10 Volume:121 Page:5594-5602
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Zhou Xueyao¹,Kolb Brian²,Luo Xuan¹,Guo Hua²^ORCID,Jiang Bin¹^ORCID

Affiliation:

1. Department of Chemical Physics, School of Chemistry and Materials, University of Science and Technology of China, Hefei, Anhui 230026, China

2. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States

Funder

Division of Chemistry

National Natural Science Foundation of China

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.6b12686

Reference85 articles.

1. State-resolved probes of methane dissociation dynamics

2. Quantum state resolved gas–surface reaction dynamics experiments: a tutorial review

3. Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity

4. Effects of Lattice Motion on Dissociative Chemisorption: Toward a Rigorous Comparison of Theory with Molecular Beam Experiments

5. Eigenstate-Resolved Studies of Gas-Surface Reactivity:CH4(ν3) Dissociation on Ni(100)

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