Concepedia

A first principles investigation of Bi2O3-modified TiO2 for visible light Activated photocatalysis: The role of TiO2 crystal form and the Bi3+ stereochemical lone pair

Aoife K. Lucid, Anna Iwaszuk, Michael Nolan

Materials Science in Semiconductor Processing · 2014 · 33 citations · 39 references

Concepts

Materials ScienceInorganic ChemistryEngineeringPhotoredox ProcessPhotochemistryFirst Principles InvestigationInorganic PhotochemistryPhotocatalysisPhoto-electrochemical CellCatalysisChemistryBi2o3-modified Tio2PhotoelectrocatalysisPhotoelectrochemistryTio2 Crystal Form

References

39

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22K citations

Engineering, Computational Chemistry, Chemistry +17

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 21.7K citations

Engineering, Computational Chemistry, Chemistry +16

Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides

Ryoji Asahi, Takeshi Morikawa, Takeshi Ohwaki et al. · Science · 2001 · 12.1K citations

Materials Science, Chemical Engineering, Visible Light +15

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson · Computational Materials Science · 2005 · 10K citations

Numerical Analysis, Electrical Engineering, Engineering +6

TiO2 photocatalysis and related surface phenomena

A FUJISHIMA, Xintong Zhang, Donald A. Tryk · Surface Science Reports · 2008 · 6.4K citations

Engineering, Photochemistry, Inorganic Photochemistry +8