通过第一原则理论计算,了解的多模导向依赖的初始氧化过程

Min Liu1,2, Zhaogui Lai3, Yanwen Lin4

  • 1New Materials Institute, University of Nottingham Ningbo China, Ningbo 315100, People's Republic of China.

概括

这项研究揭示了使用DFT的不同晶体面上的不同的氧化机制. 氧气接到Al110中,在Al111和Al001表面上形成层层的氧化物.

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