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 Basal-Plane Catalytic Activity of Layered Metallic Transition Metal Ditellurides for the Hydrogen Evolution Reaction

2020 ◽  
Vol 10 (9) ◽  
pp. 3087 ◽  
Author(s):  
Hagyeong Kwon ◽  
Dongyeon Bae ◽  
Hyeyoung Jun ◽  
Byungdo Ji ◽  
Dongyeun Won ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Transition Metal Dichalcogenides ◽  
Charge Transfer Resistance ◽  
Transfer Resistance ◽  
Metal Dichalcogenides ◽  
Turn Over Frequency

We report the electrochemical hydrogen evolution reaction (HER) of two-dimensional metallic transition metal dichalcogenides (TMDs). TMTe2 (TM: Mo, W, and V) single crystals were synthesized and characterized by optical microscopy, X-ray diffraction, and electrochemical measurements. We found that TMTe2 acts as a HER-active catalyst due to the inherent catalytic activity of its basal planes. Among the three metallic TMTe2, VTe2 shows the best HER performance with an overpotential of 441 mV and a Tafel slope of 70 mV/dec. It is 668 mV and 137 mV/dec for MoTe2 and 692 mV and 169 mV/dec for WTe2. Even though VTe2 has the lowest values in the exchange current density, the active site density, and turn-over-frequency (TOF) among the three TMTe2, the lowest charge transfer resistance (RCT) of VTe2 seems to be critical to achieving the best HER performance. First-principles calculations revealed that the basal-plane-active HER performance of metallic TMDs can be further enhanced with some Te vacancies. Our study paves the way to further study of the inherent catalytic activity of metallic 2D materials for active hydrogen production.

scholarly journals Rational strain engineering of single-atom ruthenium on nanoporous MoS2 for highly efficient hydrogen evolution

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Kang Jiang ◽  
Min Luo ◽  
Zhixiao Liu ◽  
Ming Peng ◽  
Dechao Chen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Catalytic Properties ◽  
Transition Metal Dichalcogenides ◽  
Strain Engineering ◽  
Single Atom ◽  
Catalytic Behavior ◽  
Metal Dichalcogenides ◽  
A Current

AbstractMaximizing the catalytic activity of single-atom catalysts is vital for the application of single-atom catalysts in industrial water-alkali electrolyzers, yet the modulation of the catalytic properties of single-atom catalysts remains challenging. Here, we construct strain-tunable sulphur vacancies around single-atom Ru sites for accelerating the alkaline hydrogen evolution reaction of single-atom Ru sites based on a nanoporous MoS2-based Ru single-atom catalyst. By altering the strain of this system, the synergistic effect between sulphur vacancies and Ru sites is amplified, thus changing the catalytic behavior of active sites, namely, the increased reactant density in strained sulphur vacancies and the accelerated hydrogen evolution reaction process on Ru sites. The resulting catalyst delivers an overpotential of 30 mV at a current density of 10 mA cm−2, a Tafel slope of 31 mV dec−1, and a long catalytic lifetime. This work provides an effective strategy to improve the activities of single-atom modified transition metal dichalcogenides catalysts by precise strain engineering.

Two-dimensional transition-metal dichalcogenides for electrochemical hydrogen evolution reaction

FlatChem ◽  
2019 ◽  
Vol 18 ◽  
pp. 100140 ◽  
Author(s):  
Kunlei Zhu ◽  
Chenyu Li ◽  
Zhihong Jing ◽  
Xicheng Liu ◽  
Yuanchun He ◽  
...  
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides

Basal Plane Activation in Monolayer MoTe2 for Hydrogen Evolution Reaction via Phase Boundaries

2020 ◽  
Author(s):  
Yiqing Chen ◽  
Pengfei Ou ◽  
Xiaohan Bie ◽  
Jun Song
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
High Performance ◽  
Hydrogen Adsorption ◽  
Transition Metal Dichalcogenides ◽  
Stable Phase ◽  
Great Promise ◽  
Phase Boundaries ◽  
Metal Dichalcogenides

<p>Two-dimensional transition metal dichalcogenides (2D TMDCs) have attracted tremendous interest as one prominent material group promising inexpensive <a>electrocatalysts for hydrogen evolution reaction (HER)</a>. In the present study, using <a>monolayer MoTe<sub>2</sub> as a representative, we demonstrated that </a>phase boundaries can provide a viable pathway to activate the basal plane of 2D TMDCs for enhanced HER performance. Comprehensive first-principles calculations have been performed to examine the energetics and structural stabilities of possible 2H/1T’ phase boundary configurations. Three categories of sites, Te, Mo and hollow sites, have been identified in energetically stable phase boundaries, as potential catalytic centers for HER, all indicating enhanced HER activity than the pristine basal lattice. In particular, the hollow sites, a new group of sites induced by phase boundaries, show great promise by exhibiting a Gibbs free energy near the thermoneutral value for hydrogen adsorption, comparable to that of Pt. The mechanisms underlying hydrogen adsorption at phase boundaries were then revealed, shown to be attributed to the unique local hydrogen adsorption geometries and electronic structures at phase boundaries. Our study clarifies the important mechanistic aspects underlying hydrogen activation at phase boundaries, providing valuable theoretical insights towards designing new class of high-performance HER electrocatalysts based on 2D TMDCs.</p>

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...

Basal Plane Activation in Monolayer MoTe2 for Hydrogen Evolution Reaction via Phase Boundaries

2020 ◽  
Author(s):  
Yiqing Chen ◽  
Pengfei Ou ◽  
Xiaohan Bie ◽  
Jun Song
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
High Performance ◽  
Hydrogen Adsorption ◽  
Transition Metal Dichalcogenides ◽  
Stable Phase ◽  
Great Promise ◽  
Phase Boundaries ◽  
Metal Dichalcogenides

<p>Two-dimensional transition metal dichalcogenides (2D TMDCs) have attracted tremendous interest as one prominent material group promising inexpensive <a>electrocatalysts for hydrogen evolution reaction (HER)</a>. In the present study, using <a>monolayer MoTe<sub>2</sub> as a representative, we demonstrated that </a>phase boundaries can provide a viable pathway to activate the basal plane of 2D TMDCs for enhanced HER performance. Comprehensive first-principles calculations have been performed to examine the energetics and structural stabilities of possible 2H/1T’ phase boundary configurations. Three categories of sites, Te, Mo and hollow sites, have been identified in energetically stable phase boundaries, as potential catalytic centers for HER, all indicating enhanced HER activity than the pristine basal lattice. In particular, the hollow sites, a new group of sites induced by phase boundaries, show great promise by exhibiting a Gibbs free energy near the thermoneutral value for hydrogen adsorption, comparable to that of Pt. The mechanisms underlying hydrogen adsorption at phase boundaries were then revealed, shown to be attributed to the unique local hydrogen adsorption geometries and electronic structures at phase boundaries. Our study clarifies the important mechanistic aspects underlying hydrogen activation at phase boundaries, providing valuable theoretical insights towards designing new class of high-performance HER electrocatalysts based on 2D TMDCs.</p>

scholarly journals Engineering grain boundaries at the 2D limit for the hydrogen evolution reaction

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Yongmin He ◽  
Pengyi Tang ◽  
Zhili Hu ◽  
Qiyuan He ◽  
Chao Zhu ◽  
...  
Keyword(s):  
Grain Boundaries ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Transition Metal Dichalcogenides ◽  
Structural Variations ◽  
High Activation ◽  
Onset Potential ◽  
Metal Dichalcogenides ◽  
Wafer Size

AbstractAtom-thin transition metal dichalcogenides (TMDs) have emerged as fascinating materials and key structures for electrocatalysis. So far, their edges, dopant heteroatoms and defects have been intensively explored as active sites for the hydrogen evolution reaction (HER) to split water. However, grain boundaries (GBs), a key type of defects in TMDs, have been overlooked due to their low density and large structural variations. Here, we demonstrate the synthesis of wafer-size atom-thin TMD films with an ultra-high-density of GBs, up to ~1012 cm−2. We propose a climb and drive 0D/2D interaction to explain the underlying growth mechanism. The electrocatalytic activity of the nanograin film is comprehensively examined by micro-electrochemical measurements, showing an excellent hydrogen-evolution performance (onset potential: −25 mV and Tafel slope: 54 mV dec−1), thus indicating an intrinsically high activation of the TMD GBs.

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