Quantum-continuum calculation of the surface states and electrical response of silicon in solution
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DOI: 10.1103/physrevb.95.205308
Abstract: A wide range of electrochemical reactions of practical importance occur at the interface between a semiconductor and an electrolyte. We present an embedded density-functional theory method using the recently released self-consistent continuum solvation (SCCS) approach… read more here.
Keywords: response silicon; surface states; continuum; surface ... See more keywords