铋
X射线光电子能谱
扫描隧道显微镜
拓扑绝缘体
从头算量子化学方法
吸附
空位缺陷
从头算
密度泛函理论
单晶
材料科学
结晶学
化学
物理化学
计算化学
纳米技术
化学工程
分子
凝聚态物理
冶金
物理
有机化学
工程类
作者
V. A. Golyashov,К. А. Кох,S. V. Makarenko,Konstantin Romanyuk,Igor P. Prosvirin,А. В. Калинкин,О. Е. Терещенко,A. S. Kozhukhov,D. V. Sheglov,S. V. Eremeev,С. Д. Борисова,E. V. Chulkov
摘要
Inertness of the cleaved (0001) surface of the Bi2Se3 single crystal, grown by modified Bridgman method, to oxidation has been demonstrated by X-ray photoelectron spectroscopy, scanning tunneling microscopy, and by ab initio DFT calculations. No intrinsic bismuth and selenium oxides are formed on the low-defect, atomically flat Bi2Se3(0001)-(1×1) surface after a long-time air exposure. The inertness of Bi2Se3(0001) to O2 and NO2, as well as bismuth-oxygen bonding formation under molecular adsorption in the Se vacancy was supported by DFT calculations.
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