113 citations · 206 across the 4 of their papers we have counts for
4 papers
Ferroelectricity of Ice Nanotubes inside Carbon Nanotubes
Chuanfu Luo, Wei Fa, Jinming Dong
We report that ice nanotubes with odd number of side faces inside carbon nanotubes exhibit spontaneous electric polarization along its axes direction by using molecular dynamics si…
Cage-like Au32 detected by calculated optical spectroscopy
Wei Fa, Jian Zhou, Chuanfu Luo +1
The optical absorptions of different Au32 isomers in the whole frequency range from the far-infrared (FIR) to near-ultraviolet (UV) have been calculated using the relativistic dens…
Structure-dependent ferroelectricity of niobium clusters (NbN, N=2-52)
Wei Fa, Chuanfu Luo, Jinming Dong
The ground-state structures and ferroelectric properties of NbN (N=2-52) have been investigated by a combination of density-functional theory (DFT) in the generalized gradient appr…
Bulk-fragment and tube-like structures of AuN (N=2-26)
Wei Fa, Chuanfu Luo, Jinming Dong
Using the relativistic all-electron density-functional calculations on the AuN (N=2-26) in the generalized gradient approximation, combined with the guided simulated annealing, we…