Coupled Cluster and Density Functional Theory Calculations of Atomic Hydrogen Chemisorption on Pyrene and Coronene as Model Systems for Graphene Hydrogenation-Reference-Cited by-同舟云学术

Coupled Cluster and Density Functional Theory Calculations of Atomic Hydrogen Chemisorption on Pyrene and Coronene as Model Systems for Graphene Hydrogenation

Published:2012-06-21 Issue:26 Volume:116 Page:7154-7160
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Wang Ying¹²,Qian Hu-Jun¹,Morokuma Keiji³,Irle Stephan¹²

Affiliation:

1. Institute for Advanced Research and Department of Chemistry, Nagoya University, Nagoya 464-8602, Japan

2. Department of Simulation Science, National Institute for Fusion Science, Toki 509-5292, Japan

3. Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp3023666

Reference59 articles.

1. Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes

2. Storage of hydrogen in single-walled carbon nanotubes

3. Adsorption of Atomic Hydrogen on Single-Walled Carbon Nanotubes

4. Chemisorption of Molecular Hydrogen on Carbon Nanotubes: A Route to Effective Hydrogen Storage?

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