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