Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5361805 | Applied Surface Science | 2011 | 6 Pages |
Abstract
⺠We study dependence of adsorption of H2O at TiN on its surface orientation. ⺠H2O adsorbs molecularly on TiN (1 0 0) and (1 1 1) surfaces with energies â0.94 and â0.78 eV respectively. ⺠H2O adsorbs dissociatively on TiN (1 1 0) surface with stronger binding (â2.44 eV). ⺠General trends seen above explain H2O adsorption on other surfaces (e.g. ZrN/MgO).
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Authors
Suchismita Sanyal, Umesh V. Waghmare, James A. Ruud,