A DFT study of the adsorption of O2 and H2O on Al(111) surfaces-Reference-Cited by-同舟云学术

A DFT study of the adsorption of O2 and H2O on Al(111) surfaces

Published:2016 Issue:61 Volume:6 Page:56303-56312
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Wei Xin¹²³⁴⁵,Dong Chaofang¹²³⁴⁵,Chen Zhanghua⁶³⁷⁵,Xiao Kui¹²³⁴⁵,Li Xiaogang¹²³⁴⁵

Affiliation:

1. Corrosion and Protection Center

2. Key Laboratory for Corrosion and Protection (MOE)

3. University of Science and Technology Beijing

4. Beijing 100083

5. China

6. School of Mathematics and Physics

7. Beijing

Abstract

Using first-principles calculations that are based on density functional theory, the molecular and dissociative adsorptions of O₂ and H₂O on a clean and O pre-adsorbed Al(111) surface were systematically investigated.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA08958E

Reference50 articles.

1. Atmospheric corrosion of aluminium alloy 2024-T3 exposed to salt lake environment in Western China

2. Long-term atmospheric corrosion behaviour of aluminium alloys 2024 and 7075 in urban, coastal and industrial environments

3. Exfoliation corrosion of extruded 2024-T4 in the coastal environments in China

4. A study of the corrosion of aluminum alloy 2024-T3 under thin electrolyte layers

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