To enhance interlayer lithium diffusion, we engineer electrodes consisting of epitaxially grown ReSe2 nanosheets by chemical vapor deposition, supported on three-dimensional (3D) graphene foam, taking advantage of its weak van der Waals coupling and anisotropic crystal structure. We further demonstrate its excellent performance as the anode for lithium-ion battery and catalyst for hydrogen evolution reaction (HER). Density functional theory calculation reveals that ReSe2 exhibits a low energy barrier for lithium (Li) interlayer diffusion because of negligible interlayer coupling and anisotropic structure with low symmetry that creates additional adsorption sites and leads to a reduced diffusion barrier. Benefitting from these properties, the 3D ReSe2/graphene foam electrode displays excellent cycling and rate performance with 99.6% capacity retention after 350 cycles and a capacity of 327 mA h g-1 at the current density of 1000 mA g-1. Additionally, it has exhibited a high activity for HER, in which an exchange current density of 277.8 μA cm-2 is obtained and only an overpotential of 106 mV is required to achieve a current density of -10 mA cm-2. Our work provides a fundamental understanding of the interlayer diffusion of Li in transition-metal dichalcogenide (TMD) materials and acts as a new tool for designing a TMD-based catalyst.
Keywords: DFT; anisotropic structure; hydrogen evolution reaction; lithium ion battery; rhenium diselenides.