Correction: First-Principles Study of Mo Segregation in MoNi(111): Effects of Chemisorbed Atomic Oxygen. Materials 2016, 9, 5
نویسندگان
چکیده
Yanlin Yu 1, Wei Xiao 1,2, Jianwei Wang 1 and Ligen Wang 1,3,* 1 General Research Institute for Nonferrous Metals, Beijing 100088, China; [email protected] (Y.Y.); [email protected] (W.X.); [email protected] (J.W.) 2 School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China 3 Power Environmental Energy Research Institute, Covina, CA 91722, USA * Correspondence: [email protected]; Tel.: +86-10-8224-1124; Fax: +86-10-8224-0096
منابع مشابه
First-Principles Study of Mo Segregation in MoNi(111): Effects of Chemisorbed Atomic Oxygen
Segregation at metal alloy surfaces is an important issue because many electrochemical and catalytic properties are directly correlated to the surface composition. We have performed density functional theory calculations for Mo segregation in MoNi(111) in the presence of chemisorbed atomic oxygen. In particular, the coverage dependence and possible adsorption-induced segregation phenomena are a...
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The energetics and atomic structures of 3[11̄0](111) grain boundary (GB) of body-centered cubic (bcc) Ti-Mo and Ti-V alloys are investigated using density-functional-theory calculations and virtual crystal approximation. The electron density in bcc structure and the atomic displacements and excess energy of the GB are correlated to bcc-ω phase stability. Model calculations based on pairwise inte...
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عنوان ژورنال:
دوره 9 شماره
صفحات -
تاریخ انتشار 2016