Optical gap and native point defects in kaolinite studied by the GGA-PBE, HSE functional, and GW approaches

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: the case of metakaolin

(2010) Claire E. White et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical Studies on Defects of Kaolinite in Clays

(2009) He Man-Chao et al.   CHINESE PHYSICS LETTERS

Electron bandstructure of kaolinite and its mechanism of flotation using dodecylamine as collector

(2009) Liu-yin Xia et al.   JOURNAL OF CENTRAL SOUTH UNIVERSITY OF TECHNOLOGY

What Is the Structure of Kaolinite? Reconciling Theory and Experiment

(2009) Claire E. White et al.   JOURNAL OF PHYSICAL CHEMISTRY B

GWApproximation of the Many-Body Problem and Changes in the Particle Number

(2009) Fabien Bruneval   PHYSICAL REVIEW LETTERS

The kaolinite (001) polar basal plane

(2009) Xiao Liang Hu et al.   SURFACE SCIENCE

Adsorption of a few heavy metals on natural and modified kaolinite and montmorillonite: A review

(2008) Krishna Gopal Bhattacharyya et al.   ADVANCES IN COLLOID AND INTERFACE SCIENCE

Atomic Structure Analysis of Nanocrystalline Boehmite AlO(OH)

(2008) Stefan Brühne et al.   CRYSTAL GROWTH & DESIGN

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Water on the hydroxylated (001) surface of kaolinite: From monomer adsorption to a flat 2D wetting layer

(2008) Xiao Liang Hu et al.   SURFACE SCIENCE