https://vasp.at/wiki/index.php?action=history&feed=atom&title=Adsorption_of_H2O_on_TiO2
Adsorption of H2O on TiO2 - Revision history
2026-04-30T16:24:16Z
Revision history for this page on the wiki
MediaWiki 1.43.8
https://vasp.at/wiki/index.php?title=Adsorption_of_H2O_on_TiO2&diff=10402&oldid=prev
Karsai at 13:13, 14 November 2019
2019-11-14T13:13:51Z
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Download ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Download ==</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[<del style="font-weight: bold; text-decoration: none;">http</del>:<del style="font-weight: bold; text-decoration: none;">//www.vasp.at/vasp-workshop/tutorials/</del>tutorial_h2o_on_tio2.pdf Adsorption of H<sub>2</sub> on TiO<sub>2</sub>]: A guide to this example.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>[<ins style="font-weight: bold; text-decoration: none;">[Media</ins>:tutorial_h2o_on_tio2.pdf<ins style="font-weight: bold; text-decoration: none;">| </ins>Adsorption of H<sub>2</sub> on TiO<sub>2</sub><ins style="font-weight: bold; text-decoration: none;">]</ins>]: A guide to this example.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Media:h2o_on_tio2.tgz| h2o_on_tio2.tgz]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Media:h2o_on_tio2.tgz| h2o_on_tio2.tgz]]</div></td></tr>
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Karsai
https://vasp.at/wiki/index.php?title=Adsorption_of_H2O_on_TiO2&diff=10400&oldid=prev
Karsai at 13:07, 14 November 2019
2019-11-14T13:07:25Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 13:07, 14 November 2019</td>
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<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[<del style="font-weight: bold; text-decoration: none;">http</del>:<del style="font-weight: bold; text-decoration: none;">//www.vasp.at/vasp-workshop/examples/</del>h2o_on_tio2.tgz h2o_on_tio2.tgz]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>[<ins style="font-weight: bold; text-decoration: none;">[Media</ins>:h2o_on_tio2.tgz<ins style="font-weight: bold; text-decoration: none;">| </ins>h2o_on_tio2.tgz<ins style="font-weight: bold; text-decoration: none;">]</ins>]</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Back to the [[The_VASP_Manual|main page]].</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Back to the [[The_VASP_Manual|main page]].</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
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Karsai
https://vasp.at/wiki/index.php?title=Adsorption_of_H2O_on_TiO2&diff=8961&oldid=prev
Vaspmaster: /* Task */
2019-06-24T11:02:03Z
<p><span class="autocomment">Task</span></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 11:02, 24 June 2019</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Task ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Task ==</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>In this example you will investigate the adsorption of H<sub>2<del style="font-weight: bold; text-decoration: none;">></del></sub>O on a TiO<sub>2</sub> surface by means of standard geometry optimisation ("relaxation") and by means of constrained molecular dynamics.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>In this example you will investigate the adsorption of H<sub>2</sub>O on a TiO<sub>2</sub> surface by means of standard geometry optimisation ("relaxation") and by means of constrained molecular dynamics.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Download ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Download ==</div></td></tr>
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Vaspmaster
https://vasp.at/wiki/index.php?title=Adsorption_of_H2O_on_TiO2&diff=8923&oldid=prev
Vaspmaster at 17:58, 23 June 2019
2019-06-23T17:58:06Z
<p></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:58, 23 June 2019</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Task ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Task ==</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>In this example you will <del style="font-weight: bold; text-decoration: none;">determine </del>the <del style="font-weight: bold; text-decoration: none;">transition state in the flipping </del>of <del style="font-weight: bold; text-decoration: none;">NH</del><sub><del style="font-weight: bold; text-decoration: none;">3</del></sub> by means of <del style="font-weight: bold; text-decoration: none;">the Nudged-Elastic-Band </del>(<del style="font-weight: bold; text-decoration: none;">NEB</del>) <del style="font-weight: bold; text-decoration: none;">Method </del>and <del style="font-weight: bold; text-decoration: none;">the Improved Dimer Method</del>.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>In this example you will <ins style="font-weight: bold; text-decoration: none;">investigate </ins>the <ins style="font-weight: bold; text-decoration: none;">adsorption </ins>of <ins style="font-weight: bold; text-decoration: none;">H<sub>2></sub>O on a TiO</ins><sub><ins style="font-weight: bold; text-decoration: none;">2</ins></sub> <ins style="font-weight: bold; text-decoration: none;">surface </ins>by means of <ins style="font-weight: bold; text-decoration: none;">standard geometry optimisation </ins>(<ins style="font-weight: bold; text-decoration: none;">"relaxation"</ins>) and <ins style="font-weight: bold; text-decoration: none;">by means of constrained molecular dynamics</ins>.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Download ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Download ==</div></td></tr>
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Vaspmaster
https://vasp.at/wiki/index.php?title=Adsorption_of_H2O_on_TiO2&diff=8922&oldid=prev
Vaspmaster: Created page with "== Task == In this example you will determine the transition state in the flipping of NH<sub>3</sub> by means of the Nudged-Elastic-Band (NEB) Method and the Improved Dimer M..."
2019-06-23T17:52:29Z
<p>Created page with "== Task == In this example you will determine the transition state in the flipping of NH<sub>3</sub> by means of the Nudged-Elastic-Band (NEB) Method and the Improved Dimer M..."</p>
<p><b>New page</b></p><div>== Task ==<br />
<br />
In this example you will determine the transition state in the flipping of NH<sub>3</sub> by means of the Nudged-Elastic-Band (NEB) Method and the Improved Dimer Method.<br />
<br />
== Download ==<br />
[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.<br />
<br />
[http://www.vasp.at/vasp-workshop/examples/h2o_on_tio2.tgz h2o_on_tio2.tgz]<br />
<br />
Back to the [[The_VASP_Manual|main page]].<br />
<br />
[[Category:Examples]]</div>
Vaspmaster