Datasets: Enhanced promotion of Ru-based ammonia catalysts by in situ dosing of Cs
dataset
posted on 2022-07-13, 07:07 authored by Vahid Shadravan, Ib ChorkendorffIb Chorkendorff, Ang Cao, Jens Kehlet NørskovJens Kehlet Nørskov, Jakob KibsgaardJakob Kibsgaard, Zhenbin Wang, Christian Danvad DamsgaardChristian Danvad Damsgaard, Vanessa Jane Bukas<p>Optimised structures for adsorbates that has been used and studied in the paper entitled: "<em>Enhanced promotion of Ru-based ammonia catalysts by in situ dosing of Cs</em>"</p>
<p>These structures have been used for the theoretical studies and the DFT calculations in the mentioned paper.</p>
Funding
Villum Fonden V-SUSTAIN (grant No 9455)
History
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