合金元素对V(110)表面O吸附影响的第一性原理研究
高翔1, 张桂凯2, 向鑫2, 罗丽珠1, 汪小琳3(
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Effects of Alloying Elements on the Adsorption of Oxygen on V(110) Surfaces: A First-Principles Study
GAO Xiang1, ZHANG Guikai2, XIANG Xin2, LUO Lizhu1, WANG Xiaolin3()
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图9. O/V(110)-Al、O/V(110)-Ti、O/V(110)-Cr的相对表面能及相对表面能相图
Fig.9. The calculated relative surface energies of O/V(110)-Al (a, b), O/V(110)-Ti (c, d) and O/V(110)-Cr (e, f) systems under X rich (a, c, e) and V rich (b, d, f) conditions; and the calculated surface phase diagrams of the relative surface energies for O/V(110)-Al (g), O/V(110)-Ti (h) and O/V(110)-Cr (i) systems (ΔμO—chemical potential of oxygen, p—oxygen partial pressure, p0—standard atmospheric pressure)
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