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Catalytically Active Sites on Ni5P4 for Efficient Hydrogen Evolution Reaction From Atomic Scale Calculation.

Jun Hu1,2, Xiaofei Cao1, Xin Zhao2

  • 1School of Chemical Engineering, Northwest University, Xi'an, China.

Frontiers in Chemistry
|July 3, 2019
PubMed
Summary

Nickel phosphide (Ni5P4) shows promise as a platinum alternative for water splitting. Its catalytic activity for hydrogen evolution reactions depends on specific atomic arrangements and bonding characteristics, particularly for NiNi and P sites.

Keywords:
density functional theoryhydrogen evolution reactionmachine learningnickel phosphideswater splitting

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