673 citations · 816 across the 8 of their papers we have counts for
8 papers
Chiral electrons and spin selectivity at chiral-achiral interfaces
Xiaoming Wang, Yeming Xian, Yanfa Yan
Chiral molecules can selectively transport electrons of a particular spin orientation, yet the underlying mechanism remain poorly understood. Here, we present theoretical evidence…
Optical Activity of Solids from First Principles
Xiaoming Wang, Yanfa Yan
Within the framework of independent particle approximation, the optical activity tensor of solids is formulated as from different contributions: the magnetic dipole, electric quadr…
Molecular engineering of metal-free perovskite MDABCO-NH4I3 towards enhanced ferroelectric polarization
Xiaoming Wang, Yanfa Yan
Molecular ferroelectrics have attracted increasing interests over the past decade due to mechanical flexibility, chemical diversity, environmental friendliness, easy-processing, an…
Superior Photo-carrier Diffusion Dynamics in Organic-inorganic Hybrid Perovskites Revealed by Spatiotemporal Conductivity Imaging
Xuejian Ma, Fei Zhang, Zhaodong Chu +9
The outstanding performance of organic-inorganic metal trihalide solar cells benefits from the exceptional photo-physical properties of both electrons and holes in the material. He…
First-Principles Understanding of the Electronic Band Structure of Copper-Antimony Halide Perovskite: The Effect of Magnetic Ordering
Xiaoming Wang, Weiwei Meng, Zewen Xiao +3
We report the understanding of the electronic band structure of perovskite through first-principles density-functional theory calculations. We find that the mos…
Electronic Band Structures and Excitonic Properties of Delafossites: A -BSE study
Xiaoming Wang, Weiwei Meng, Yanfa Yan
We report the band structures and excitonic properties of delafossites (M = Al, Ga, In, Sc, Y, Cr) calculated using the state-of-the-art -BSE approach. We fin…