77 citations · 99 across the 4 of their papers we have counts for
4 papers
Insights into the Unusual Semiconducting Behavior in Low-Dimensional Boron
Shao-Gang Xu, Xiao-Tian Li, Yu-Jun Zhao +5
Elementary semiconductors are rare and attractive, especially for low-dimensional materials. Unfortunately, most of boron nanostructures were found to be metallic, despite of their…
Two-Dimensional Semiconducting Boron Monolayers
Shao-Gang Xu, Xiao-Tian Li, Yu-Jun Zhao +3
The two-dimensional boron monolayers were reported to be metallic both in previous theoretical predictions and experimental observations, however, we have firstly found a family of…
Geometrical Eigen-subspace Framework Based Molecular Conformation Representation for Efficient Structure Recognition and Comparison
Xiao-Tian Li, Xiao-bao Yang, Yu-Jun Zhao
We have developed an extended distance matrix approach to study the molecular geometric configuration through spectral decomposition. It is shown that the positions of all atoms in…
Quasilattice-conserved optimization of the atomic structure of decagonal Al-Co-Ni quasicrystals
Xiao-Tian Li, Xiao-Bao Yang, Yu-Jun Zhao
The detailed atomic structure of quasicrystals has been an open question for decades. Here, we present a quasilattice-conserved optimization method (quasiOPT), with particular quas…