affiliation not provided to SSRN
Holey Graphyne, hydrogen evolution reaction, Gibbs free energy, first principles simulations, ab initio molecular dynamics
transition metal-doped MoS2, hydrogen evolution reaction, Oxygen Reduction Reaction, trifunctional, first principles simulations
Oxygen evolution reaction, First principles simulations, Ab initio molecular dynamics, Holey Graphyne, Electrocatalyst
TM-doped Nb2S2C, Hydrogen Evolution Reaction, simulations, first principles calculations, ab initio molecular dynamics
