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Understanding the influence of rare earth yttrium on surface characterizations of orthorhombic alpha-Mo2C(023) surface: A first-principle calculation approach

Yang, JB; Pang, XZ; Pang, MJ; Zhao, YJ; Yang, WC; Zhan, YZ

Zhan, YZ (corresponding author), Guangxi Univ, Guangxi Key Lab Proc Nonferrous Met & Featured Ma, Nanning 530004, Peoples R China.; Zhan, YZ (corresponding author), Guangxi Univ, Sch Resources Environm & Mat, Nanning 530004, Peoples R China.; Zhan, YZ (corresponding author), Guangxi Univ, Ctr Ecol Collaborat Innovat Aluminum Ind Guangxi, Nanning 530004, Peoples R China.; Pang, MJ (corresponding author), SAIC GM Wuling Automobile Co Ltd, Liuzhou 545007, Guangxi, Peoples R China.

SURFACE SCIENCE, 2021; 708 ():

Abstract

A detailed theoretical study on clean and Y-doped orthorhombic ?-Mo2C(023) surface has been investigated by means of the first-principles calculations......

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