Adsorption of H2O on TiO2: Difference between revisions
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[http://www.vasp.at/vasp-workshop/tutorials/tutorial_h2o_on_tio2.pdf Adsorption of H<sub>2</sub> on TiO<sub>2</sub>]: A guide to this example. | [http://www.vasp.at/vasp-workshop/tutorials/tutorial_h2o_on_tio2.pdf Adsorption of H<sub>2</sub> on TiO<sub>2</sub>]: A guide to this example. | ||
[ | [[Media:h2o_on_tio2.tgz| h2o_on_tio2.tgz]] | ||
Back to the [[The_VASP_Manual|main page]]. | Back to the [[The_VASP_Manual|main page]]. | ||
[[Category:Examples]] | [[Category:Examples]] | ||
Revision as of 13:07, 14 November 2019
Task
In this example you will investigate the adsorption of H2O on a TiO2 surface by means of standard geometry optimisation ("relaxation") and by means of constrained molecular dynamics.
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Adsorption of H2 on TiO2: A guide to this example.
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