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20142025
most citedFriction of Water on Graphene and Hexagonal Boron Nitride from ab initio Methods: Very Different Slippage Despite Very Similar Interface Structures

418 citations · 1.2k across the 10 of their papers we have counts for

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cond-mat.mtrl-sci2016★ 317 cited

Structure of a model TiO2 photocatalytic interface

H. Hussain, G. Tocci, T. Woolcot +11

The interaction of water with TiO2 is crucial to many of its practical applications, including photocatalytic water splitting. Following the first demonstration of this phenomenon…

cond-mat.mtrl-sci2014★ 107 cited

Solvent Induced Proton Hopping at a Water-Oxide Interface

Gabriele Tocci, Angelos Michaelides

Despite widespread interest, a detailed understanding of the dynamics of proton transfer at interfaces is lacking. Here we use ab initio molecular dynamics to unravel the connectio…