Transition Metal-Doped Edge-Terminated MoS2 Superstructures as Efficient Catalysts for H2 Production

As the most important layered transition metal dichalcogenide, molybdenum disulfide (MoS 2 ) is applicable for simultaneous H 2 production and CO elimination by water-gas shift reaction (WGSR), while its performance is still not satisfactory. To further promote the catalytic activities of MoS 2 , herein a series of transition metals (M = Mn, Fe, Co, Ni, Cu, and Zn) into the column-like superstructures with edge-terminated MoS 2 nanosheet building blocks (termed as M-ET MoS 2 SSs) is doped as the efficient catalysts for WGSR. A precise M doping into ET MoS 2 SSs reveals that the M-ET MoS 2 SSs exhibit the volcano-like activity toward WGSR as a function of specific M with the 5%Ni-ET MoS 2 SSs displaying the best average rate of 50.48 µmol H2 g cat. −1 s −1 in WGSR at 473 K, which is 4 and 13 times higher than those of the ET MoS 2 SSs and commercial MoS 2 , respectively, and is even comparable to many noble-metal-based catalysts. The valence band spectra reveal that the boosted WGSR activity of 5%Ni-ET MoS 2 SSs can be ascribed to the downshift of the d-band center relative to the Fermi level, which facilitates the H desorption to produce H 2 in WGSR, showing a highly efficient and earth-abundant catalysts for WGSR and beyond.