112 citations · 218 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 1 cited
The Efficacy of Fiction or More on the Charge State of Ti in TiO2 and Formal Oxidation States
Daniel Koch, Sergei Manzhos
We argue that Ti4+ is not a realistic description of Ti in TiO2.
cond-mat.mtrl-sci2017★ 47 cited
Ab initio study of Li, Mg and Al insertion into rutile VO2: Fast diffusion and enhanced voltages
Vadym V. Kulish, Daniel Koch, Sergei Manzhos
Vanadium oxides are among the most promising materials that can be used as electrodes in rechargeable metal-ion batteries. In this work, we systematically investigate thermodynamic…
cond-mat.mtrl-sci2017★ 112 cited
On the oxidation state of titanium in titanium dioxide
Daniel Koch, Sergei Manzhos
The oxidation state of titanium in titanium dioxide is commonly assumed to be +4. This assumption is used ubiquitously to rationalize phenomena observed with TiO2. We present a com…