Fluorination Activates the Basal Plane HER Activity of ReS2: A Combined Experimental and Theoretical Study

2021 ◽  
Author(s):  
Yonggang Liu ◽  
Haijing Li ◽  
Junfu Li ◽  
Xiaoshuang Ma ◽  
Zhiming Cui ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Active Sites ◽  
Theoretical Study ◽  
Two Dimensional ◽  
Catalytic Active Sites

Two-dimensional (2D) rhenium disulfide (ReS2) has been attracting immense interests as highly promising hydrogen evolution reaction (HER) electrocatalyst recently. However, the HER catalytic active sites of ReS2 are still limited...

Tuning the catalytic activity of heterogeneous two-dimensional transition metal dichalcogenides for hydrogen evolution

2018 ◽  
Vol 6 (41) ◽  
pp. 20005-20014 ◽  
Author(s):  
Seung Hyo Noh ◽  
Jeemin Hwang ◽  
Joonhee Kang ◽  
Min Ho Seo ◽  
Daehyeon Choi ◽  
...  
Keyword(s):  
Big Data ◽  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Active Sites ◽  
Catalytic Properties ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides

This study establishes big data for the catalytic properties of two-dimensional metal-dichalcogenides (2D-TMDs) toward the hydrogen evolution reaction (HER). In addition to conventionally known active sites of edges, it proposes that terrace sites (or the basal plane) can be substantially activated for the HER.

Basal plane activation in monolayer MoTe2 for the hydrogen evolution reaction via phase boundaries

2020 ◽  
Vol 8 (37) ◽  
pp. 19522-19532
Author(s):  
Yiqing Chen ◽  
Pengfei Ou ◽  
Xiaohan Bie ◽  
Jun Song
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Basal Plane ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Phase Boundaries ◽  
Metal Dichalcogenides

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

scholarly journals Ultra-Thin SnS2-Pt Nanocatalyst for Efficient Hydrogen Evolution Reaction

Nanomaterials ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 2337
Author(s):  
Yanying Yu ◽  
Jie Xu ◽  
Jianwei Zhang ◽  
Fan Li ◽  
Jiantao Fu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Pt Nanoclusters ◽  
Two Dimensional Materials ◽  
Low Load ◽  
Metal Dichalcogenides ◽  
Poor Stability

Transition-metal dichalcogenides (TMDs) materials have attracted much attention for hydrogen evolution reaction (HER) as a new catalyst, but they still have challenges in poor stability and high reaction over-potential. In this study, Ultra-thin SnS2 nanocatalysts were synthesized by simple hydrothermal method, and low load of Pt was added to form stable SnS2-Pt-3 (the content of platinum is 0.5 wt %). The synergistic effect between ultra-thin SnS2 rich in active sites and individual dispersed Pt nanoclusters can significantly reduce the reaction barrier and further accelerate HER reaction kinetics. Hence, SnS2-Pt-3 exhibits a low overpotential of 210 mV at the current density of 10 mA cm−2. It is worth noting that SnS2-Pt-3 has a small Tafel slope (126 mV dec−1) in 0.5 M H2SO4, as well as stability. This work provides a new option for the application of TMDs materials in efficient hydrogen evolution reaction. Moreover, this method can be easily extended to other catalysts with desired two-dimensional materials.

scholarly journals Surface Modifications of 2D-Ti3C2O2 by Nonmetal Doping for Obtaining High Hydrogen Evolution Reaction Activity: A Computational Approach

Catalysts ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 161
Author(s):  
Fangtao Li ◽  
Xiaoxu Wang ◽  
Rongming Wang
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
High Performance ◽  
Hydrogen Adsorption ◽  
Low Cost ◽  
Level Shift ◽  
High Hydrogen ◽  
Catalytic Active Sites

As a typical two-dimensional (2D) MXene, Ti3C2O2 has been considered as a potential material for high-performance hydrogen evolution reaction (HER) catalyst, due to its anticorrosion and hydrophilic surface. However, it is still a challenge to improve the Ti3C2O2 surficial HER catalytic activity. In this work, we investigated the HER activity of Ti3C2O2 after the surface was doped with S, Se, and Te by the first principles method. The results indicated that the HER activity of Ti3C2O2 is improved after being doped with S, Se, Te because the Gibbs free energy of hydrogen adsorption (ΔGH) is increased from −2.19 eV to 0.08 eV. Furthermore, we also found that the ΔGH of Ti3C2O2 increased from 0.182 eV to 0.08 eV with the doping concentration varied from 5.5% to 16.7%. The HER catalytic activity improvement of Ti3C2O2 is attributed to the local crystal structure distortion in catalytic active sites and Fermi level shift leads to the p-d orbital hybridization. Our results pave a new avenue for preparing a low-cost and high performance HER catalyst.

Transition metal doping activated basal-plane catalytic activity of two-dimensional 1T’-ReS2 for hydrogen evolution reaction: a first-principles calculation study

Nanoscale ◽  
2019 ◽  
Vol 11 (21) ◽  
pp. 10402-10409 ◽  
Author(s):  
Jing Pan ◽  
Rui Wang ◽  
Xiaoyong Xu ◽  
Jingguo Hu ◽  
Liang Ma
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Basal Plane ◽  
First Principles Calculation ◽  
Transition Metal Doping ◽  
Two Dimensional ◽  
Cr Doping

Non-noble transition metals Mo and Cr doping greatly enhances the basal-plane catalytic activity of two-dimensional 1T′-ReS2 for hydrogen evolution reaction as comparable with those of Pt-doping.

Defect engineering in two-dimensional electrocatalysts for hydrogen evolution

Nanoscale ◽  
2020 ◽  
Vol 12 (7) ◽  
pp. 4283-4294 ◽  
Author(s):  
Junfeng Xie ◽  
Xueying Yang ◽  
Yi Xie
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Active Species ◽  
Multiple Roles ◽  
Two Dimensional ◽  
Defect Engineering

Defect engineering could provide rich active sites, optimized electronic structure and intimate anchoring of active species, displaying multiple roles in promoting the electrocatalytic hydrogen evolution reaction.

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