Interface Density Engineering on Heterogeneous Molybdenum Dichalcogenides Enabling Highly Efficient Hydrogen Evolution Catalysis and Sodium Ion Storage

Abstract

AbstractConstructing active heterointerfaces is powerful to enhance the electrochemical performances of transition metal dichalcogenides, but the interface density regulation remains a huge challenge. Herein, MoO2/MoS2 heterogeneous nanorods are encapsulated in nitrogen and sulfur co‐doped carbon matrix (MoO2/MoS2@NSC) by controllable sulfidation. MoO2 and MoS2 are coupled intimately at atomic level, forming the MoO2/MoS2 heterointerfaces with different distribution density. Strong electronic interactions are triggered at these MoO2/MoS2 heterointerfaces for enhancing electron transfer. In alkaline media, the optimal material exhibits outstanding hydrogen evolution reaction (HER) performances that significantly surpass carbon‐covered MoS2 nanorods counterpart (η10: 156 mV vs 232 mV) and most of the MoS2‐based heterostructures reported recently. First‐principles calculation deciphers that MoO2/MoS2 heterointerfaces greatly promote water dissociation and hydrogen atom adsorption via the O–Mo–S electronic bridges during HER process. Moreover, benefited from the high pseudocapacitance contribution, abundant “ion reservoir”‐like channels, and low Na+ diffusion barrier appended by high‐density MoO2/MoS2 heterointerfaces, the material delivers high specific capacity of 888 mAh g−1, remarkable rate capability and cycling stability of 390 cycles at 0.1 A g−1 as the anode of sodium ion battery. This work will undoubtedly light the way of interface density engineering for high‐performance electrochemical energy conversion and storage systems.