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Hydrogen, oxygen and nitrogen adsorption on Rhn−1X (n=2–5, X=3d, 4d atoms) clusters: A DFT study

  • Published:2016-06 Issue: Volume:1085 Page:56-65
  • ISSN:2210-271X
  • Container-title:Computational and Theoretical Chemistry
  • language:en
  • Short-container-title:Computational and Theoretical Chemistry

Author:

Liu Yanqi,Zhang Jingjing,Li Jiao,Liang Xiaogang,Duan Haiming

Funder

National Natural Science Foundation of China

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference48 articles.

1. Structural properties of nanoclusters: energetic, thermodynamic, and kinetic effects;Baletto;Rev. Mod. Phys.,2005

2. Clusters: a bridge across the disciplines of environment, materials science, and biology;Castleman;PNAS,2006

3. Density functional study of structural trends for late-transition-metal 13-atom clusters;Wang;Phys. Rev. B,2007

4. Enhanced ethanol production inside carbon-nanotube reactors containing catalytic particles;Pan;Nat. Mater.,2007

5. The surface science approach toward understanding automotive exhaust conversion catalysis at the atomic level;Nieuwenhuys;Adv. Catal.,1999

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