Journal
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA
Volume 33, Issue 5, Pages 1540-1549Publisher
ELSEVIER
DOI: 10.1016/S1003-6326(23)66201-6
Keywords
molybdenum disulfide; tungsten disulfide; heterostructures; hydrogen evolution reaction; density functional theory
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A heterostructure composed of spherical hollow WS2 and petal-like MoS2 was systematically studied. The results showed that the synergistic effect between WS2 and MoS2 in the heterostructure improved the hydrogen evolution reaction (HER) performances with better electron transfer ability. Density functional theory calculations further clarified the synergistic mechanism.
A heterostructure composed of spherical hollow WS2 and petal-like MoS2 was systematically studied. The results showed that the spherical hollow structures exposed more active sites, and the construction of heterostructures triggered the synergistic effect between WS2 and MoS2 and improved the hydrogen evolution reaction (HER) performances with better electron transfer ability. More importantly, the density functional theory calculations further clarified the synergistic mechanism, in which the MoS2/WS2 heterostructure could effectively regulate the hydrogen adsorption free energy to achieve the minimum value with a W/Mo atomic ratio of 2:25. Consequently, the optimized WMo-2/25 catalyst exhibited superior electrocatalytic HER activity with a low Tafel slope of 53 mV/dec as well as good durability.
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