2 citations · 2 across the 1 of their papers we have counts for
4 papers
The self-consistent charge density functional tight-binding (DFTB) theory study of carbon adatoms using tuned Hubbard U parameters
Jia Wang, Xing Dai, Wanrun Jiang +2
The self-consistent charge density functional tight-binding (DFTB) theory is a useful tool for realizing the electronic structures of large molecular complex systems. In this study…
Structural and electronic properties of uranium-encapsulated Au14 cage
Yang Gao, Xing Dai, Seung-gu Kang +6
The structural properties of the uranium-encapsulated nano-cage U@Au14 are predicted using density functional theory. The presence of the uranium atom makes the Au14 structure more…
Electron Delocalization Determined Anomalous Stability in Small Water Rings
Bo Wang, Minsi Xin, Xing Dai +4
Water clusters are known to form through hydrogen bonding. However, this study shows that the formation of very small water clusters significantly deviates from this mechanism and…
Strong Adsorption between Uranium Dicarbide and Graphene Surface Induced by f Electrons
Jie Han, Xing Dai, Cheng Cheng +4
The interaction between gaseous uranium dicarbide and graphite is significant for the safety control and design of Gen-IV nuclear energy system. In this article, the interaction me…