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cond-mat.mtrl-sci2025
Strain Modulated Catalytic Activity of Pt2XSe3 (X = Hg, Zn) for Hydrogen Evolution Reaction
Caique C. Oliveira, Pedro A. S. Autreto
The catalytic properties of Pt2XSe3 (X = Hg, Zn) in hydrogen-electrode- (HER-) based catalysts have been investigated based on state-of-the-art ab initio simulations. Our results s…
cond-mat.mtrl-sci2023★ 8 cited
Tetra-penta-deca-hexagonal-graphene (TPDH-graphene) hydrogenation patterns: dynamics and electronic structure
Caique C. Oliveira, Matheus Medina, Douglas S. Galvao +1
The advent of graphene has renewed the interest in other 2D carbon-based materials. Bhattacharya and Jana have proposed a new carbon allotrope, composed of different polygonal carb…