合金元素对<strong>V(110)</strong>表面<strong>O</strong>吸附影响的第一性原理研究

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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7. 覆盖度为0.25 ML时，O吸附在V(110)-X表面的差分电荷密度图

Fig.7. Charge density difference contours for O adsorbed on V(110)-Al (a), V(110)-Ti (b) and V(110)-Cr (c) with Θ=0.25 ML(Each contour plane is along the [ $12 1 ˉ$ ] direction and perpendicular to the (110) surface. The red and blue regions represent the accumulation and depletion of charge density, respectively; unit: e/?³)
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