Charge-Transfer Induced High Efficient Hydrogen Evolution of MoS2/graphene Cocatalyst

摘要: The MoS2 and reduced graphite oxide (rGO) composite has attracted intensive attention due to its favorable performance as hydrogen evolution reaction (HER) catalyst, but still lacking is the theoretical understanding from a dynamic perspective regarding influence of electron transfer, well connection between conductivity promoted HER performance. Based on first-principles calculations, we here clearly reveal how an excess negative charge density affects variation Gibbs free energy (ΔG) corresponding behavior. It demonstrated that plays crucial role in routine. To verify analyses, with defined 3-dimensional configuration was synthesized via facile one-step approach for first time. experimental data show have direct link conductivity. These findings pave way further developing 2-dimension based composites applications.