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Datasets: Enhanced promotion of Ru-based ammonia catalysts by in situ dosing of Cs

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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

Optimised structures for adsorbates that has been used and studied in the paper entitled: "Enhanced promotion of Ru-based ammonia catalysts by in situ dosing of Cs"

These structures have been used for the theoretical studies and the DFT calculations in the mentioned paper.

Funding

Villum Fonden V-SUSTAIN (grant No 9455)

History

ORCID for corresponding depositor

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    DTU Physics

    Categories

    Keywords

    AmmoniaRutheniumCesiumCatalysis and Mechanisms of ReactionsCatalytic Process Engineering

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    CC BY 4.0

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