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            <mods:title>DFT data for „Video-STM studies of adsorbate dynamics on metal electrodes covered by an anisotropic adlayer of coadsorbed anions“</mods:title>
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            <mods:displayForm>Wendorff, Falk</mods:displayForm>
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            <mods:namePart type="family">Buttenschön</mods:namePart>
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            <mods:displayForm>Pehlke, Eckhard</mods:displayForm>
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            <mods:namePart type="family">Pehlke</mods:namePart>
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            <mods:dateIssued encoding="w3cdtf">2026-07-27</mods:dateIssued>
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            <mods:note xlink:type="simple">README file and compressed tar-archive containing DFT data for publication [1] . Data have been created using programs from the software package ”Quantum ESPRESSO“ [2,3]. Pseudopotentials from the GBRV library [4] have been used. Please cite the relevant publications when using the data. &#13;
&#13;
[1] C.Yang et al., original publication, Electrochim. Acta (2026) https://doi.org/10.1016/j.electacta.2026.149585.&#13;
[2] P. Giannozzi et al., J. Phys. Condens. Matter 21 395502 (2009).&#13;
[3] P. Giannozzi et al., J. Phys. Condens. Matter 29 465901 (2017).&#13;
[4] K.F. Garrity et al., Comput. Mater. Sci. 81 446 (2014).</mods:note>
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          <mods:abstract altRepGroup="9e-a4f9-d5a8c765a1f7" contentType="text/xml" altFormat="data:text/xml;charset=UTF-8;base64,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" xlink:type="simple"/>
          <mods:abstract altRepGroup="9e-a4f9-d5a8c765a1f7" xlink:type="simple">The archive contains density functional theory (DFT) data for the publication „Chaolong Yang, Falk Wendorff, Sönke Buttenschön, Eckhard Pehlke, and Olaf M. Magnussen, Video-STM studies of adsorbate dynamics on metal electrodes covered by an anisotropic adlayer of coadsorbed anions“ (DOI: https://doi.org/10.1016/j.electacta.2026.149585).</mods:abstract>
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          <mods:identifier type="doi">10.57892/100-364</mods:identifier>
          <mods:identifier type="project">Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 504552981</mods:identifier>
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