activity
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 2010Show all

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cond-mat.mtrl-sci2010★ 47 cited

Intrinsic point defects in aluminum antimonide

Daniel Åberg, Paul Erhart, Andrew J. Williamson +1

Calculations within density functional theory on the basis of the local density approximation are carried out to study the properties of intrinsic point defects in aluminum antimon…

cond-mat.mtrl-sci2010★ 25 cited

Extrinsic point defects in aluminum antimonide

Paul Erhart, Daniel Åberg, Vincenzo Lordi

We investigate thermodynamic and electronic properties of group IV (C, Si, Ge, Sn) and group VI (O, S, Se, Te) impurities as well as P and H in aluminum antimonide (AlSb) using fir…