Open AccessDensity functional theory investigation of the interaction of water withα − Al 2 O 3
Author(s) -
Shela Aboud,
Jennifer Wilcox,
Gordon E. Brown
Publication year - 2011
Publication title -
physical review b
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.83.125407
Subject(s) - density functional theory , crystallography , isostructural , valence (chemistry) , ab initio , materials science , metal , physics , crystal structure , chemistry , computational chemistry , quantum mechanics , metallurgy
Shela Aboud,1,* Jennifer Wilcox,1 and Gordon E. Brown Jr.2 1Department of Energy Resources Engineering, Stanford University, Stanford, California 94305 USA 2Department of Geological and Environmental Sciences, Department of Photon Science, and Department of Chemical Engineering, Stanford University, Stanford, California 94305-2115 USA (Received 17 September 2010; revised manuscript received 3 January 2011; published 17 March 2011)
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom