First-principles study of mercaptoundecanoic acid molecule adsorption and gas molecule penetration onto silver surface: an insight for corrosion protection

Author:

Kim Chung-Hyok1,Ryu Chol2,Ro Yong-Hak1,O Song-Il3,Yu Chol-Jun2ORCID

Affiliation:

1. Institute of Electronic Materials, High-Tech and Development Centre, Kim Il Sung University, PO Box 76, Pyongyang, Democratic People's Republic of Korea

2. Computational Materials Design (CMD), Faculty of Materials Science, Kim Il Sung University, PO Box 76, Pyongyang, Democratic People's Republic of Korea

3. Physics Department, O Jung Hub Chongjin University of Education, Chongjin, Hamgyong North Province, Democratic People's Republic of Korea

Abstract

First-principles simulations of adsorption of MUA molecule on Ag(1 0 0) and Ag(1 1 1) surfaces, adsorption of H2O, H2S and O2 molecules and their penetrations onto the Ag surface were performed to elaborate the mechanism of corrosion protection.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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