Water adsorption on SrTiO3(001): II. Water, water, everywhere
نویسندگان
چکیده
Article history: Received 28 July 2011 Accepted 11 January 2012 Available online 17 January 2012
منابع مشابه
Adsorption of Water onto SrTiO3 from Periodic Møller-Plesset Second-Order Perturbation Theory.
Adsorption of water onto metal oxide surfaces is a long-standing problem motivated by relevance to many promising technological applications. In this work, we compute the adsorption energy of water on SrTiO3 using periodic Møller-Plesset second-order perturbation theory (MP2). We compare our MP2 results to density functional and hybrid density functional theory calculations with and without the...
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