First-principles calculations on Hg-doped anatase TiO2 with and without O vacancy

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

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Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides

Ryoji Asahi, Takeshi Morikawa, Takeshi Ohwaki et al. · Science · 2001 · 12.2K citations

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Preparation of highly visible-light active N-doped TiO2 photocatalyst

Guidong Yang, Zheng Jiang, Huahong Shi et al. · Journal of Materials Chemistry · 2010 · 687 citations

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Understanding Photocatalytic Activity of S- and P-Doped TiO₂ under Visible Light from First-Principles

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Large Scale Synthesis and Gas-Sensing Properties of Anatase TiO₂ Three-Dimensional Hierarchical Nanostructures

Cheng‐Xiang Wang, Longwei Yin, Luyuan Zhang et al. · Langmuir · 2010 · 246 citations

Natural Sciences, Materials Engineering, Materials Science +17