Ab initio quantum chemical studies of cluster models for doped anatase and rutile TiO2

The Role of Metal Ion Dopants in Quantum-Sized TiO₂: Correlation between Photoreactivity and Charge Carrier Recombination Dynamics

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Natural Sciences, Materials Science, Physics +13

Energy-adjusted <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> pseudopotentials for the first row transition elements

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Natural Sciences, Chemistry, Computational Chemistry +16

Energy-adjusted pseudopotentials for the rare earth elements

Michael Dolg, Hermann Stoll, A. Savin · Theoretical Chemistry Accounts · 1989 · 1.3K citations

Natural Sciences, Chemistry, Materials Science +8

Role of oxygen vacancy in the plasma-treated TiO2 photocatalyst with visible light activity for NO removal

Isao Nakamura, Nobuaki Negishi, Shuzo Kutsuna et al. · Journal of Molecular Catalysis A Chemical · 2000 · 1.2K citations

Natural Sciences, Materials Engineering, Materials Science +16

Energy-adjusted <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> pseudopotentials for the rare earth elements

Michael Dolg, Hermann Stoll · The Journal of Chemical Physics · 1989 · 1.2K citations

Natural Sciences, Chemistry, Computational Chemistry +14