A Comparative Theoretical Study of the Hydrogen, Methyl, and Ethyl Chemisorption on the Pt(111) Surface-Reference-Cited by-同舟云学术

A Comparative Theoretical Study of the Hydrogen, Methyl, and Ethyl Chemisorption on the Pt(111) Surface

Published:2000-04-12 Issue:17 Volume:122 Page:4129-4144
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Papoian Garegin¹,Nørskov Jens K.¹,Hoffmann Roald¹

Affiliation:

1. Contribution from the Department of Chemistry and Materials Science Center, Cornell University, Ithaca, New York 14853-1301, and Center for Atomic-scale Materials Physics, Department of Physics, Technical University of Denmark, Building 307, DK-2800 Lyngby, Denmark

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja993483j

Reference67 articles.

1. Ethylene Hydrogenation on Pt(111) Monitored in Situ at High Pressures Using Sum Frequency Generation

2. Formation and thermal decomposition of ethyl groups on transition metal surfaces: Ethyl iodide on Pt(111)

3. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients

4. An Extended Hückel Theory. I. Hydrocarbons

5. Extended Hückel Theory. II. σ Orbitals in the Azines

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