most citedFirst-Principles Approach for Energy Level Alignment at Aqueous Semiconductor Interfaces

82 citations · 82 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2014★ 82 cited

First-Principles Approach for Energy Level Alignment at Aqueous Semiconductor Interfaces

Neerav Kharche, James T. Muckerman, Mark S. Hybertsen

A first-principles approach is demonstrated to calculate the relationship between aqueous semiconductor interface structure and energy level alignment. The physical interface struc…