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The roles of Cl− and OH− in the dissociation of H2O molecules on an Al surface: A first-principles calculation

  • Published:2021-12 Issue: Volume:159 Page:110281
  • ISSN:0022-3697
  • Container-title:Journal of Physics and Chemistry of Solids
  • language:en
  • Short-container-title:Journal of Physics and Chemistry of Solids

Author:

Chen Bao,Zhang Chuan-Hui,Jin Ying

Funder

Fundamental Research Funds for the Central Universities

Publisher

Elsevier BV

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Reference44 articles.

1. To address surface reaction network complexity using scaling relations machine learning and DFT calculations;Ulissi;Nat. Commun.,2017

2. CO2 photo-reduction: insights into CO2 activation and reaction on surfaces of photocatalysts;Chang;Energy Environ. Sci.,2016

3. Spontaneous activation of CO2 and possible corrosion pathways on the low-index iron surface Fe (100);Glezakou;Phys. Chem. C,2009

4. First principles study of H2O molecule adsorption on Fe (100), Fe (110) and Fe (111) surfaces;Zhao;Acta Phys. Sin.,2009

5. Structure and bonding of water on Pt (111);Ogasawara;Phys. Rev. Lett.,2002

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