Predicting a new phase (T′′) of two-dimensional transition metal di-chalcogenides and strain-controlled topological phase transition

Charge Mediated Semiconducting-to-Metallic Phase Transition in Molybdenum Disulfide Monolayer and Hydrogen Evolution Reaction in New 1T′ Phase

(2015) Guoping Gao et al.   Journal of Physical Chemistry C

Room Temperature Quantum Spin Hall Insulators with a Buckled Square Lattice

(2015) Wei Luo et al.   NANO LETTERS

Modulating the phase transition between metallic and semiconducting single-layer MoS2 and WS2 through size effects

(2015) Ziyu Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Metallic Icosahedron Phase of Sodium at Terapascal Pressures

(2015) Yinwei Li et al.   PHYSICAL REVIEW LETTERS

SuperhardBC3in Cubic Diamond Structure

(2015) Miao Zhang et al.   PHYSICAL REVIEW LETTERS

Phase patterning for ohmic homojunction contact in MoTe2

(2015) S. Cho et al.   SCIENCE

Structures and Phase Transition of a MoS2 Monolayer

(2014) M. Kan et al.   Journal of Physical Chemistry C

Prediction of Silicon-Based Layered Structures for Optoelectronic Applications

(2014) Wei Luo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Strain engineering of selective chemical adsorption on monolayer MoS2

(2014) Liangzhi Kou et al.   Nanoscale

van der Waals trilayers and superlattices: modification of electronic structures of MoS2 by intercalation

(2014) Ning Lu et al.   Nanoscale

First-principles Raman spectra of MoS2, WS2 and their heterostructures

(2014) Liangbo Liang et al.   Nanoscale

Phase-engineered low-resistance contacts for ultrathin MoS2 transistors

(2014) Rajesh Kappera et al.   NATURE MATERIALS

Atomic mechanism of the semiconducting-to-metallic phase transition in single-layered MoS2

(2014) Yung-Chang Lin et al.   Nature Nanotechnology

Quantum spin Hall effect in two-dimensional transition metal dichalcogenides

(2014) X. Qian et al.   SCIENCE

Graphene-Like Two-Dimensional Materials

(2013) Mingsheng Xu et al.   CHEMICAL REVIEWS

Prediction of a Two-Dimensional Organic Topological Insulator

(2013) Z. F. Wang et al.   NANO LETTERS

MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field

(2013) Ning Lu et al.   Nanoscale

Quantum Anomalous Hall Effect in 2D Organic Topological Insulators

(2013) Z. F. Wang et al.   PHYSICAL REVIEW LETTERS

A generalized solid-state nudged elastic band method

(2012) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

Spatial and Energy Distribution of Topological Edge States in Single Bi(111) Bilayer

(2012) Fang Yang et al.   PHYSICAL REVIEW LETTERS

Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method

(2011) Xinyu Luo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evidence for Helical Edge Modes in InvertedInAs/GaSbQuantum Wells

(2011) Ivan Knez et al.   PHYSICAL REVIEW LETTERS

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

Observation of a large-gap topological-insulator class with a single Dirac cone on the surface

(2009) Y. Xia et al.   Nature Physics

Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface

(2009) Haijun Zhang et al.   Nature Physics

Nonlocal Transport in the Quantum Spin Hall State

(2009) A. Roth et al.   SCIENCE

Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3

(2009) Y. L. Chen et al.   SCIENCE

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Quantum Spin Hall Effect in Inverted Type-II Semiconductors

(2008) Chaoxing Liu et al.   PHYSICAL REVIEW LETTERS