Pressure-induced phase transition of BiOF: novel two-dimensional layered structures

Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions

(2014) Xiang-Feng Zhou et al.   PHYSICAL REVIEW LETTERS

High pressure superconducting phase of BI3: an ab initio study

(2014) Defang Duan et al.   RSC Advances

Mechanical and metallic properties of tantalum nitrides from first-principles calculations

(2014) Da Li et al.   RSC Advances

Miscibility and ordered structures of MgO-ZnO alloys under high pressure

(2014) Fubo Tian et al.   Scientific Reports

Novel sp3 forms of carbon predicted by evolutionary metadynamics and analysis of their synthesizability using transition path sampling

(2013) S. E. Boulfelfel et al.   Journal of Superhard Materials

Facile synthesis of BiOCl nano-flowers of narrow band gap and their visible-light-induced photocatalytic property

(2012) Lang Chen et al.   CATALYSIS COMMUNICATIONS

Stability of xenon oxides at high pressures

(2012) Qiang Zhu et al.   Nature Chemistry

First-principles study on the structural, electronic and optical properties of BiOX (X=Cl, Br, I) crystals

(2012) Lijun Zhao et al.   PHYSICA B-CONDENSED MATTER

Systematic search for low-enthalpysp3carbon allotropes using evolutionary metadynamics

(2012) Qiang Zhu et al.   PHYSICAL REVIEW B

First-Principles Determination of the Structure of Magnesium Borohydride

(2012) Xiang-Feng Zhou et al.   PHYSICAL REVIEW LETTERS

First-principles studies on facet-dependent photocatalytic properties of bismuth oxyhalides (BiOXs)

(2012) Haijun Zhang et al.   RSC Advances

How Evolutionary Crystal Structure Prediction Works—and Why

(2011) Artem R. Oganov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Towards better photocatalysts: first-principles studies of the alloying effects on the photocatalytic activities of bismuth oxyhalides under visible light

(2011) Haijun Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Denser than diamond:Ab initiosearch for superdense carbon allotropes

(2011) Qiang Zhu et al.   PHYSICAL REVIEW B

Self-Assembly and Enhanced Photocatalytic Properties of BiOI Hollow Microspheres via a Reactable Ionic Liquid

(2010) Jiexiang Xia et al.   LANGMUIR

Electronic structures and optical properties of BiOX (X = F, Cl, Br, I) via DFT calculations

(2009) Wen Lai Huang   JOURNAL OF COMPUTATIONAL CHEMISTRY

A novel BiOCl film with flowerlike hierarchical structures and its optical properties

(2009) Sihai Cao et al.   NANOTECHNOLOGY

Shape Evolution of Layer-Structured Bismuth Oxychloride Nanostructures via Low-Temperature Chemical Vapor Transport

(2008) Hailin Peng et al.   CHEMISTRY OF MATERIALS

Electronic structures of relaxed BiOX (X=F, Cl, Br, I) photocatalysts

(2008) Wen Lai Huang et al.   COMPUTATIONAL MATERIALS SCIENCE

From Bulk Metal Bi to Two-Dimensional Well-Crystallized BiOX (X = Cl, Br) Micro- and Nanostructures: Synthesis and Characterization

(2008) Zhengtao Deng et al.   CRYSTAL GROWTH & DESIGN

The first BiOI-based solar cells

(2008) Kun Zhao et al.   ELECTROCHEMISTRY COMMUNICATIONS

DFT calculations on the electronic structures of BiOX (X = F, Cl, Br, I) photocatalysts with and without semicore Bi 5dstates

(2008) Wen Lai Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Pressure-induced loss of electronic interlayer state and metallization in the ionic solidLi3N: Experiment and theory

(2008) A. Lazicki et al.   PHYSICAL REVIEW B

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

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Visible-light-responsive photocatalysts xBiOBr–(1−x)BiOI

(2007) Wendeng Wang et al.   CATALYSIS COMMUNICATIONS