Hybrid density functional study of the structural, bonding, and electronic properties of bismuth vanadate

Stereochemistry of post-transition metal oxides: revision of the classical lone pair model

(2011) Aron Walsh et al.   CHEMICAL SOCIETY REVIEWS

Improved hybrid functional for solids: The HSEsol functional

(2011) Laurids Schimka et al.   JOURNAL OF CHEMICAL PHYSICS

Factors in the Metal Doping of BiVO4 for Improved Photoelectrocatalytic Activity as Studied by Scanning Electrochemical Microscopy and First-Principles Density-Functional Calculation

(2011) Hyun S. Park et al.   Journal of Physical Chemistry C

Electronic structure and optical properties of monoclinic clinobisvanite BiVO4

(2011) Zongyan Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Doping properties of monoclinic BiVO4studied by first-principles density-functional theory

(2011) Wan-Jian Yin et al.   PHYSICAL REVIEW B

Rapid Screening of BiVO4-Based Photocatalysts by Scanning Electrochemical Microscopy (SECM) and Studies of Their Photoelectrochemical Properties

(2010) Heechang Ye et al.   Journal of Physical Chemistry C

Hybrid functional study of proper and improper multiferroics

(2010) A. Stroppa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals

(2009) Aron Walsh et al.   CHEMISTRY OF MATERIALS

Development of alternative photocatalysts to TiO2: Challenges and opportunities

(2009) María D. Hernández-Alonso et al.   Energy & Environmental Science

Calculations of ZnO properties using the Heyd-Scuseria-Ernzerhof screened hybrid density functional

(2009) Jan Wróbel et al.   PHYSICAL REVIEW B

Structural and Photoelectrochemical Properties of BiVO4Thin Films

(2008) Hongmei Luo et al.   Journal of Physical Chemistry C

SrTiO3andBaTiO3revisited using the projector augmented wave method: Performance of hybrid and semilocal functionals

(2008) Roman Wahl et al.   PHYSICAL REVIEW B

Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

(2008) D. I. Bilc et al.   PHYSICAL REVIEW B

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

Pressure effects on the structural and electronic properties of ABX4 scintillating crystals

(2008) Daniel Errandonea et al.   PROGRESS IN MATERIALS SCIENCE

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE