Structure and electrochemical property of amorphous molybdenum selenide H2-evolving catalysts prepared by a solvothermal synthesis

Transition Metal Chalcogenides as a Versatile and Tunable Platform for Catalytic CO2 and N2 Electroreduction

“…Amorphous transition metal chalcogenides (a-TMCs) attracted particular attention for electrocatalytic applications in recent years, with emphasis placed on amorphous molybdenum sulfide (a-MoS x ) as hydrogen evolution catalyst as it showed a catalytic activity for the reaction higher than that of its crystalline counterpart . Despite the increasing interest in a-MoS x , reports on the other a-TMCs, i.e., a-MoSe x , a-WSe x , and a-WS x , are far more limited: the electrical and catalytic characteristics of these three compounds are usually inferred by analogy with amorphous molybdenum sulfide, due to the similar metal/chalcogen molar ratio and the similar Raman fingerprint that suggests the same coordination structure between metal and chalcogen. − Amorphous molybdenum sulfides, discussed here as a representative of the whole a-TMC family, can be considered a class of a-MoS x compounds with different sulfur stoichiometry, with x ranging from 2 , to 6 according to the synthesis route, that lacks a long-range order but exhibits a short-range organization depending on the Mo/S atomic ratio. Different models have been proposed to resolve the structure of amorphous molybdenum sulfides; e.g., for a-MoS 4.7 , a linear model has been proposed based on Mo 3 S 14 building blocks, connected through bridging (S–S) bonds .…”

Unraveling Hydrogen Adsorption on Transition Metal-Doped [Mo3S13]2– Clusters: Insights from Density Functional Theory Calculations

“…First, a larger number of TM­[Mo 3 S 13 ] 2– potential structures were generated using the stochastic algorithm . Concurrently, various initial structures for TM­[Mo 3 S 13 ] 2– clusters were manually constructed by placing a TM atom at all feasible positions within the experimentally verified [Mo 3 S 13 ] 2– structure . After the energy optimization, the most stable TM­[Mo 3 S 13 ] 2– was utilized to build hydrogen absorbed configurations.…”

“…Despite the great efficiency of Pt and its derivatives in HER as well as the water-splitting process, , their scarcity and high cost necessitate the exploration of alternative materials that can meet performance requirements, cost-effectiveness, and reduced processing time. Among potential candidates, nanostructured molybdenum sulfide (MS) configurations have garnered attention due to their higher density of active sites compared to other materials. − Particularly, the amorphous structure constructed by [Mo 3 S 13 ] 2– clusters with its triangular framework consisting of three bridging, three-terminal, and one apical S has shown promising potential as the most active form in the HER catalysis among various MS configurations. − While considerable efforts have been made to enhance the MS catalytic activity by employing TM dopants as an intriguing strategy, the underlying interaction between hydrogen atoms and the MS catalyst with specific active sites has not yet been fully understood. For instance, experimental results combined with density functional theory (DFT) calculations indicated that HER is hindered by the bond between Co-dopant and MoS 2 , but is improved when Co is replaced with Ni .…”

“… 7 − 10 Particularly, the amorphous structure constructed by [Mo 3 S 13 ] 2– clusters with its triangular framework consisting of three bridging, three-terminal, and one apical S has shown promising potential as the most active form in the HER catalysis among various MS configurations. 10 − 13 While considerable efforts have been made to enhance the MS catalytic activity by employing TM dopants as an intriguing strategy, the underlying interaction between hydrogen atoms and the MS catalyst with specific active sites has not yet been fully understood. For instance, experimental results combined with density functional theory (DFT) calculations indicated that HER is hindered by the bond between Co-dopant and MoS 2 , but is improved when Co is replaced with Ni.…”

Recent Advancements in the Synthetic Mechanism and Surface Engineering of Transition Metal Selenides for Energy Storage and Conversion Applications

“…The reaction time and temperature was still long for dropping time duration a batter active catalyst and energy saving route must be followed. In this regard Nguyen et al [ 79 ] prepared amorphous molybdenum selenide by using of DMF as a solvent through solvothermal route. For this reason 36.6 mg of Mo(CO) 2 and sufficient amount of selenium powder was dissolved in 40 mL of DMF and vigorously stirred for 30 min.…”