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

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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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