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20102023
most citedLithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics

210 citations · 565 across the 20 of their papers we have counts for

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Showing 2012Show all

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cond-mat.mtrl-sci2012★ 17 cited

Contributions of point defects, chemical disorder, and thermal vibrations to electronic properties of Cd(1-x)Zn(x)Te alloys

Daniel Åberg, Paul Erhart, Vincenzo Lordi

We present a first principles study based on density functional theory of thermodynamic and electronic properties of the most important intrinsic defects in the semiconductor alloy…