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cond-mat.mtrl-sci2021
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…
cond-mat.mtrl-sci2018
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…