548 citations · 2.5k across the 30 of their papers we have counts for
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Face-Centered-Cubic B Metal: Density functional theory calculations
Qing-Bo Yan, Qing-Rong Zheng, Gang Su
By means of ab initio calculations within the density functional theory, we have found that B80 fullerenes can condense to form stable face-centered-cubic fcc solids. It is shown t…
Family of boron fullerenes: general constructing schemes, electron counting rule and ab initio calculations
Qing-Bo Yan, Xian-Lei Sheng, Qing-Rong Zheng +2
A set of general constructing schemes is unveiled to predict a large family of stable boron monoelemental, hollow fullerenes with magic numbers 32+8k (k>=0). The remarkable stabili…
Structures, Electronic Properties, Spectroscopies and Hexagonal Monolayer Phase of a Family of Unconventional Fullerenes C64X4 (X = H; F;Cl;Br)
Qing-Bo Yan, Qing-Rong Zheng, Gang Su
A systematic first-principles study within density functional theory on the geometrical structures and electronic properties of unconventional fullerene C64 and its derivatives C64…