单层
密度泛函理论
吸附
材料科学
比例(比率)
纳米技术
化学
计算机科学
计算化学
物理化学
物理
量子力学
作者
Jinghao Zhang,Yunfan Zhang,Feng Tian,Luxiao Sun,Xiaodong Zhang,Aiping Fu,Mingwei Tian
摘要
Defect engineering is an important means to control material properties. In this paper, large-scale sampling density functional theory (DFT) was used to investigate the adsorption and sensing behavior of NH3...
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