672 citations · 903 across the 8 of their papers we have counts for
8 papers
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…
Strain-controlled fundamental gap and structure of bulk black phosphorus
Jie Guan, Wenshen Song, Li Yang +1
We study theoretically the structural and electronic response of layered bulk black phosphorus to in-layer strain. Ab initio density functional theory (DFT) calculations reveal tha…
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…
Tiling Phosphorene
Jie Guan, Zhen Zhu, David Tománek
We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their non-planar atomic structure onto a two-color 2D triangular tiling patte…
High stability of faceted nanotubes and fullerenes of multi-phase layered phosphorus: A computational study
Jie Guan, Zhen Zhu, David Tománek
We present a paradigm in constructing very stable, faceted nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases. Our…
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…