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. 2019 Apr 12;7:182. doi: 10.3389/fchem.2019.00182

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Copyright © 2019 Quesne, Silveri, de Leeuw and Catlow.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Correlation between ΔE_ads of a single hydrogen molecule (red dots) and the d-band centers (blue columns) on different carbides and surfaces. (Left) Shows the values for ZrC over the four investigated surfaces, (Right) shows the values for (001) surfaces over the four carbides.