566 citations · 1.1k across the 10 of their papers we have counts for
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Surface Van Hove Singularity Enabled Efficient Catalysis: The Cases of CO Oxidation and Hydrogen Evolution Reactions
Liangliang Liu, Chunyan Wang, Liying Zhang +5
Surface Van Hove singularity (SVHS), defined as the surface states near the Fermi level (EF) in low-dimensional systems, triggers exciting physical phenomena distinct from bulk. We…
Band gap and band alignment prediction of nitride based semiconductors using machine learning
Yang Huang, Changyou Yu, Weiguang Chen +5
Nitride has been drawing much attention due to its wide range of applications in optoelectronics and remains plenty of room for materials design and discovery. Here, a large set of…
Origin of Symmetric Dimer Images of Si(001) Observed in Low-Temperature STM
Xiao-Yan Ren, Hyun-Jung Kim, Chun-Yao Niu +2
It has been a long-standing puzzle why buckled dimers of the Si(001) surface appeared symmetric below 20 K in scanning tunneling microscopy (STM) experiments. Although such symmetr…
Dilute magnetic semiconductor and half metal behaviors in 3d transition-metal doped black and blue phosphorenes: a first-principles study
Weiyang Yu, Zhili Zhu, Chun-Yao Niu +3
We present first-principles density-functional calculations for the structural, electronic, and magnetic properties of substitutional 3d transition metal (TM) impurities in two-dim…