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Date Issued: 2011
Subject: Anatase
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Search Results for Collection: Centre for Synthesis and Chemical Biology
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Molecular dynamics study of water in contact with TiO2 rutile-110, 100, 101, 001 and anatase-101, 001 surface
Kavathekar, Ritwik S.
;
Dev, Pratibha
;
English, Niall J.
;
MacElroy, J. M. Don
(
Taylor and Francis
,
2011-05-19
)
We have carried out classical molecular dynamics of various surfaces of TiO2 with its interface with water. We report the geometrical features of the first and second monolayers of water using a Matsui Akaogi (MA) force ...
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Dev, Pratibha (1)
English, Niall J. (1)
Kavathekar, Ritwik S. (1)
MacElroy, J. M. Don (1)
Subject
Anatase (1)
Molecular dynamics (1)
Oxide-water interface (1)
Oxides--Surfaces (1)
Rutile (1)
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Date Issued
2011 (1)