Size-selective synthesis of platinum nanoparticles on transition-metal dichalcogenides for the hydrogen evolution reaction

2021 ◽  
Author(s):  
Liang Mei ◽  
Xiaoping Gao ◽  
Zhan Gao ◽  
Qingyong Zhang ◽  
Xinge Yu ◽  
...  

Pt-MoS2 composites are fabricated via growing tunable Pt nanoparticles size (NPs, 2–6 nm) on single-layer MoS2 nanosheets. Which have shown excellent performance for hydrogen evolution reaction (HER) with the Pt NPs exhibiting a volcano-type size effect toward mass activity due to the synergistic effects between the Pt NPs and MoS2.

Nanoscale ◽  
2021 ◽  
Author(s):  
Albert Bruix ◽  
Jeppe Vang Lauritsen ◽  
Bjork Hammer

Nanomaterials based on MoS2 and related transition metal dichalcogenides are remarkably versatile; MoS2 nanoparticles are proven catalysts for processes such as hydrodesulphurization and the hydrogen evolution reaction, and transition metal...


FlatChem ◽  
2019 ◽  
Vol 18 ◽  
pp. 100140 ◽  
Author(s):  
Kunlei Zhu ◽  
Chenyu Li ◽  
Zhihong Jing ◽  
Xicheng Liu ◽  
Yuanchun He ◽  
...  

2020 ◽  
Vol 8 (37) ◽  
pp. 19522-19532
Author(s):  
Yiqing Chen ◽  
Pengfei Ou ◽  
Xiaohan Bie ◽  
Jun Song

The 2H/1T′ phase boundary activated hydrogen evolution reaction on two-dimensional transition metal dichalcogenides is well studied by comprehensive first-principles calculations.


Catalysts ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 70
Author(s):  
Sangyeon Pak ◽  
Jungmoon Lim ◽  
John Hong ◽  
SeungNam Cha

Monolayered, semiconducting MoS2 and their transition metal dichalcogenides (TMDCs) families are promising and low-cost materials for hydrogen generation through electrolytes (HER, hydrogen evolution reaction) due to their high activities and electrochemical stability during the reaction. However, there is still a lack of understanding in identifying the underlying mechanism responsible for improving the electrocatalytic properties of theses monolayers. In this work, we investigated the significance of controlling carrier densities in a MoS2 monolayer and in turn the corresponding electrocatalytic behaviors in relation to the energy band structure of MoS2. Surface functionalization was employed to achieve p-doping and n-doping in the MoS2 monolayer that led to MoS2 electrochemical devices with different catalytic performances. Specifically, the electron-rich MoS2 surface showed lower overpotential and Tafel slope compared to the MoS2 with surface functional groups that contributed to p-doping. We attributed such enhancement to the increase in the carrier density and the corresponding Fermi level that accelerated HER and charge transfer kinetics. These findings are of high importance in designing electrocatalysts based on two-dimensional TMDCs.


2021 ◽  
Author(s):  
Zhenbin Wang ◽  
Michael Tang ◽  
Ang Cao ◽  
Karen Chan ◽  
Jens Kehlet Nørskov

<p>Understanding the hydrogen evolution reaction (HER) behaviors over 2D transition metal dichalcogenides (2D-TMDs) is critical for the development of non-precious HER electrocatalysts with better activity. In this work, by combining density functional theory calculations with microkinetic modelling, we thoroughly investigated the HER mechanism on 2D-TMDs. We find there is an important dependence of simulated cell size on the calculated hydrogen adsorption energy and the activation barrier for MoS<sub>2</sub>. Distinct from previous “H migration” mechanisms proposed for the Heyrovsky reaction − the rate-determining step for MoS<sub>2</sub>, we propose the Mo site only serves as the stabilized transition state rather than H adsorption. In comparison to transition metal electrocatalysts, we find that the activation barrier of the Heyrovsky reaction on 2D-TMDs scales with the hydrogen adsorption energy exactly as for transition metals except that all activation energies are displaced upwards by <i>ca.</i> 0.4 eV. This higher Heyrovsky activation barrier is responsible for the substantially lower activity of 2D-TMDs. We further show that this higher activation barrier stems from the more positively charged adsorbed hydrogen on the chalcogenides interacting repulsively with the incoming proton. Based on these insights, we discuss potential strategies for the design of non-precious HER catalysts with activity comparable to Pt.</p>


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