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Impact of single Pt atom adsorption on fundamental properties of blue phosphorene and its activity toward hydrogen evolution reaction
The adsorption of single H atom and H2 on blue phosphorene monolayer with and without Pt atom adsorbed on the surface has been investigated using density functional theory with the Perdew-Burke-Ernzerhof exchange correlation ...
Impact of different structural defects on fundamental properties of blue phosphorene nanotubes
Using density functional theory, we present the effect of different structural defects on electronic and optical properties of blue phosphorene nanotubes of both armchair and zigzag chirality. In addition, we have considered ...