117 citations · 1.1k across the 40 of their papers we have counts for
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cond-mat.mtrl-sci2015★ 40 cited
Comparative computational study of lithium and sodium insertion in van der Waals and covalent tetracyanoethylene (TCNE) -based crystals as promising materials for organic lithium and sodium ion batteries
Yingqian Chen, Sergei Manzhos
We present a comparative ab initio study of Li and Na insertion in molecular (van der Waals) crystals of TCNE (tetracyanoethylene) as well as in covalent Li/Na-TCNE crystals. We co…
cond-mat.mtrl-sci2015★ 34 cited
Lithium and sodium storage on tetracyanoethylene (TCNE) and TCNE-(doped)-graphene complexes: a computational study
Yingqian Chen, Sergei Manzhos
Li and Na attachment to free tetracyanoethylene (TCNE) molecules and TCNE adsorbed on doped graphene is studied using density functional theory. While TCNE is adsorbed only weakly…
cond-mat.mtrl-sci2015★ 71 cited
Amorphous carbon a promising material for sodium ion battery anodes: a first principles study
Fleur Legrain, Konstantinos Kotsis, Sergei Manzhos
We present a comparative ab initio computational study of sodium and lithium storage in amorphous (glassy) carbon (a-C) vs. graphite. Amorphous structures are obtained by fitting s…