672 citations · 1.4k across the 17 of their papers we have counts for
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Unusually stable helical coil allotrope of phosphorus
Dan Liu, Jie Guan, Jingwei Jiang +1
We have identified an unusually stable helical coil allotrope of phosphorus. Our ab initio Density Functional Theory calculations indicate that the uncoiled, isolated straight 1D c…
Structural Transition in Layered AsP Compounds: A Computational Study
Zhen Zhu, Jie Guan, David Tomanek
As a way to further improve the electronic properties of group V layered semiconductors, we propose to form in-layer 2D heterostructures of black phosphorus and grey arsenic. We us…
Relative Stability and Local Curvature Analysis in Carbon Nanotori
Chern Chuang, Jie Guan, David Witalka +3
We introduce a concise formalism to characterize nanometer-sized tori based on carbon nanotubes and to determine their stability by combining {\em ab initio} density functional cal…
Simulated scanning tunneling microscopy images of few-layer-phosphorus capped by graphene and hexagonal boron nitride monolayers
Pablo Rivero, Cedric M. Horvath, Zhen Zhu +3
Elemental phosphorous is believed to have several stable allotropes that are energetically nearly degenerate, but chemically reactive. To prevent chemical degradation under ambient…
Unusual Electronic Structure of Few-Layer Grey Arsenic: A Computational Study
Zhen Zhu, Jie Guan, David Tomanek
We use ab initio density functional theory to study the equilibrium geometry and electronic structure of few-layer grey arsenic. In contrast to the bulk structure that is semimetal…