Research Datasets (3)

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First-Principles Mechanistic Insights into the Hydrogen Evolution Reaction on Ni2P Electrocatalyst in Alkaline Medium - Cross RW, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0102983129.
Interface chemistry between 4-aminothiophenol (4ATP) molecule and Zn3P2 surfaces - dataset - Dzade NY (2020). Cardiff University. 10.17035/d.2019.0086503638.
Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation - Dzade NY (2020). Cardiff University. 10.17035/d.2019.0088117956.

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