A combined molecular dynamics–ab initio study of H2 adsorption on ideal, relaxed, and temperature-reconstructed MgO(111) surfaces-Reference-Cited by-同舟云学术

A combined molecular dynamics–ab initio study of H2 adsorption on ideal, relaxed, and temperature-reconstructed MgO(111) surfaces

Published:1998-11 Issue:17 Volume:109 Page:7515-7521
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Hermansson Kersti,Baudin Micael,Ensing Bernd,Alfredsson Maria,Wojcik Mark

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.477409

Reference25 articles.

1. Oxide surfaces

2. Activation of hydrogen at 78.deg.K on paramagnetic centers of magnesium oxide

3. S. Coluccia and A. J. Tench, in Proceedings of the 7th International Congress on Catalysis, Tokyo, 1980, edited by T. Seiyama and K. Tanabe (Kodansha/Elsevier, Tokyo/Amsterdam, 1981), Part B, p.

4. Theory of electronic structure of oxide surfaces

5. Discrete Variational Xα Cluster Calculations. II. Application to the Surface Electronic Structure of MgO

Cited by 31 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The electric fields enhance the non-covalent intermolecular interaction between H2 and (MgO)3;Chemical Physics;2020-11

2. Mechanism of hydrogen formation during the corrosion of Mg17Al12;Electrochemistry Communications;2020-10

3. Dynamics and Reactions of Molecular Ru Catalysts at Carbon Nanotube–Water Interfaces;Journal of the American Chemical Society;2018-05-25

4. Effect of Mg addition on the structure and performance of sulfide Mo/Al2O3 in HDS and HDN reaction;Journal of Catalysis;2016-12

5. The electric field effect on the hydrogen storage properties of ( MgO ) 9;Computational and Theoretical Chemistry;2016-04