Coverage dependent structure and energy of water dissociative adsorption on clean and O-pre-covered Ni (100) and Ni(110)-Reference-Cited by-同舟云学术

Coverage dependent structure and energy of water dissociative adsorption on clean and O-pre-covered Ni (100) and Ni(110)

Published:2019 Issue:17 Volume:9 Page:4725-4743
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Zhu Ling¹²³⁴⁵,Liu Chunli¹²³⁴⁵,Wen Xiaodong¹²³⁴⁵^ORCID,Li Yong-Wang¹²³⁴⁵,Jiao Haijun¹²³⁴⁵^ORCID

Affiliation:

1. State Key Laboratory of Coal Conversion

2. Institute of Coal Chemistry

3. Chinese Academy of Sciences

4. Taiyuan

5. China

Abstract

H₂O dissociative adsorption on clean and O pre-covered Ni(100) and Ni(110) surfaces has been computed systematically on the basis of periodic density functional theory and ab initio atomistic thermodynamics.

Funder

National Natural Science Foundation of China

Chinese Academy of Sciences

Bundesministerium für Bildung und Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CY/C9CY01251F

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