☆ 4.7 Article

First row transition metal doped B12P12 and Al12P12 nanocages as excellent single atom catalysts for the hydrogen evolution reaction

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2023)

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Mechanism of Hydrogen Evolution Reaction on 1T-MoS2 from First Principles

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Are phosphide nano-cages better than nitride nano-cages? A kinetic, thermodynamic and non-linear optical properties study of alkali metal encapsulated X12Y12 nano-cages

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Nanoporous Graphene with Single-Atom Nickel Dopants: An Efficient and Stable Catalyst for Electrochemical Hydrogen Production

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Recent Development in Hydrogen Evolution Reaction Catalysts and Their Practical Implementation

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Recent advances in heterogeneous electrocatalysts for the hydrogen evolution reaction

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Adsorption Behavior of CO on Pristine and Doped B12P12 Nanocage : A DFT Study

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Doping and Dedoping Processes of Polypyrrole: DFT Study with Hybrid Functionals

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Density Functional Theory Study of Poly(o-phenylenediamine) Oligomers

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JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

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A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages

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Towards the computational design of solid catalysts

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Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

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