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.

scholarly journals Ordered clustering of single atomic Te vacancies in atomically thin PtTe2 promotes hydrogen evolution catalysis

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Xinzhe Li ◽  
Yiyun Fang ◽  
Jun Wang ◽  
Hanyan Fang ◽  
Shibo Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermal Treatment ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Catalytic Properties ◽  
Reactive Intermediates ◽  
Two Dimensional ◽  
Binding Strength ◽  
Highly Active

AbstractExposing and stabilizing undercoordinated platinum (Pt) sites and therefore optimizing their adsorption to reactive intermediates offers a desirable strategy to develop highly efficient Pt-based electrocatalysts. However, preparation of atomically controllable Pt-based model catalysts to understand the correlation between electronic structure, adsorption energy, and catalytic properties of atomic Pt sites is still challenging. Herein we report the atomically thin two-dimensional PtTe2 nanosheets with well-dispersed single atomic Te vacancies (Te-SAVs) and atomically well-defined undercoordinated Pt sites as a model electrocatalyst. A controlled thermal treatment drives the migration of the Te-SAVs to form thermodynamically stabilized, ordered Te-SAV clusters, which decreases both the density of states of undercoordinated Pt sites around the Fermi level and the interacting orbital volume of Pt sites. As a result, the binding strength of atomically defined Pt active sites to H intermediates is effectively reduced, which renders PtTe2 nanosheets highly active and stable in hydrogen evolution reaction.

Identifying the catalytically active sites on the layered tri-chalcogenide compounds CoPS3 and NiPS3 for efficient hydrogen evolution reaction

2021 ◽  
Author(s):  
Khorsed Alam ◽  
Tisita Das ◽  
Sudip Chakraborty ◽  
Prasenjit Sen
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Density Functional ◽  
Electronic Structure Calculations ◽  
Functional Theory ◽  
Catalytically Active ◽  
Structure Calculations

Electronic structure calculations based on density functional theory are used to identify the catalytically active sites for the hydrogen evolution reaction on single layers of the two transition metal tri-chalcogenide...

Addressable surface engineering for N-doped WS2 nanosheet arrays with abundant active sites and the optimal local electronic structure for enhanced hydrogen evolution reaction

Nanoscale ◽  
2020 ◽  
Vol 12 (44) ◽  
pp. 22541-22550
Author(s):  
Haiqing Wang ◽  
Zhongfei Xu ◽  
Zengfu Zhang ◽  
Shuxian Hu ◽  
Mingjun Ma ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Surface Engineering ◽  
Nanosheet Arrays ◽  
Local Electronic Structure

Engineering an addressable surface endows N doped WS2 nanosheet arrays with abundant active sites and an optimal local electronic structure for enhanced hydrogen evolution reaction.

Unveiling active sites by structural tailoring of two‐dimensional niobium disulfide for improved electrocatalytic hydrogen evolution reaction

2020 ◽  
Vol 44 (13) ◽  
pp. 10551-10561
Author(s):  
Hitanshu Kumar ◽  
Ke Wang ◽  
Fei Tang ◽  
Xierong Zeng ◽  
Lin Gan ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Two Dimensional ◽  
Niobium Disulfide

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.

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.

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