title: Charge-Transfer Induced High Efficient Hydrogen Evolution of MoS2/graphene Cocatalyst.
abstract: 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 to the influence of electron transfer, as well as the connection between conductivity and the promoted HER performance. Based on the first-principles calculations, we here clearly reveal how an excess of negative charge density affects the variation of Gibbs free energy (ΔG) and the corresponding HER behavior. It is demonstrated that the electron plays a crucial role in the HER routine. To verify the theoretical analyses, the MoS2 and reduced graphite oxide (rGO) composite with well defined 3-dimensional configuration was synthesized via a facile one-step approach for the first time. The experimental data show that the HER performance have a direct link to the conductivity. These findings pave the way for a further developing of 2-dimension based composites for HER applications.
authors.affiliation: Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Honglin
authors.initials: H
authors.lastname: Li
authors.affiliation: Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Ke
authors.initials: K
authors.lastname: Yu
authors.affiliation: Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Chao
authors.initials: C
authors.lastname: Li
authors.affiliation: Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Zheng
authors.initials: Z
authors.lastname: Tang
authors.affiliation: Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Bangjun
authors.initials: B
authors.lastname: Guo
authors.affiliation: Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Xiang
authors.initials: X
authors.lastname: Lei
authors.affiliation: Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Hao
authors.initials: H
authors.lastname: Fu
authors.affiliation: Key Laboratory of Polar Materials and Devices (Ministry of Education of China), Department of Electronic Engineering, East China Normal University, Shanghai 200241, China.
authors.forename: Ziqiang
authors.initials: Z
authors.lastname: Zhu