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20132023
most citedIn search of high performance anode materials for Mg batteries: computational studies of Mg in Ge, Si, and Sn

117 citations · 1.1k across the 40 of their papers we have counts for

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cond-mat.mtrl-sci2013★ 117 cited

In search of high performance anode materials for Mg batteries: computational studies of Mg in Ge, Si, and Sn

Oleksandr I. Malyi, Teck L. Tan, Sergei Manzhos

We present ab initio studies of structures, energetics, and diffusion properties of Mg in Si, Ge, and Sn diamond structures to evaluate their potential as insertion type anode mate…

physics.chem-ph2013★ 6 cited

Effects of Nuclear Vibrations on the Energetics of Polythiophene: Quantized Energy Molecular Dynamics

Sergei Manzhos

Effects of nuclear dynamics on the energetics of polythiophene relevant for the performance of organic solar cells are studied for the first time. Nuclear motions change the expect…