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.

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...

Chemical etching manipulated local electronic structure upheaval of graphdiyne for efficient hydrogen evolution

2D Materials ◽  
2021 ◽  
Author(s):  
Kaikai Ma ◽  
Yunqi Zhao ◽  
Qingliang Liao ◽  
Zhaozhao Xiong ◽  
Xinting Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Chemical Etching ◽  
Active Sites ◽  
Theoretical Calculations ◽  
Great Expectation ◽  
Local Electronic Structure ◽  
A Current ◽  
Carbon Based

Abstract Graphdiyne (GDY), featured with unique sp2, sp-hybridized form and inherent inhomogeneous electron distribution, retains great expectation to be developed into highly efficient electrocatalysts for hydrogen evolution reaction (HER). However, the state-of-the-art GDY-based electrocatalysts still suffer from weak catalytic activity and sluggish reaction kinetics originating from the severe scarcity of in-plane active sites and insufficient electrical conductivity. Targeted at this bottleneck issue, electronic structure regulation, recognized as an extremely precise technical route, is promising to improve HER performances of carbon-based electrocatalysts. Herein, a facile controllable chemical etching strategy is well leveraged to introduce sp2-hybridized carbon-oxygen bonds (Csp2-O) into GDY for precise manipulation both of its electronic and spatial structures. Experimental results and theoretical calculations coherently manifest that Csp2-O introduction into GDY can not only induce its electronic structure upheaval to strengthen surface electron transport capability, but also trigger intensive carbon-oxygen p-p orbital hybridization to enhance the catalytic activity of acetylenic bond sites. As a result, the optimal GDY sample after etching delivers excellent HER performance with an overpotential of only 101 mV at a current density of 10 mA cm-2 and a low Tafel slope of 54 mV dec-1, which surpasses most of reported metal-free based electrocatalysts. This work provides a universal route for precise modulation of inherent electronic structure in GDY, and can be further extended to boost the overall performances of other carbon-based catalysts

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.

A novel ligand with –NH2 and –COOH-decorated Co/Fe-based oxide for an efficient overall water splitting: dual modulation roles of active sites and local electronic structure

2020 ◽  
Vol 10 (18) ◽  
pp. 6266-6273
Author(s):  
Yalan Zhang ◽  
Zebin Yu ◽  
Ronghua Jiang ◽  
Jung Huang ◽  
Yanping Hou ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Water Splitting ◽  
Energy Demand ◽  
Active Sites ◽  
Electrode Materials ◽  
Global Energy ◽  
Overall Water Splitting ◽  
Local Electronic Structure ◽  
Electrochemical Water Splitting

Excellent electrochemical water splitting with remarkable durability can provide a solution to satisfy the increasing global energy demand in which the electrode materials play an important role.

Engineering Sulfur Vacancies into Fe9S10 Nanosheet Arrays for Efficient Alkaline Hydrogen Evolution

Nanoscale ◽  
2021 ◽  
Author(s):  
Wenjun He ◽  
Jianing Cheng ◽  
Yaohui Gao ◽  
Caichi Liu ◽  
Jianling Zhao ◽  
...  
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Metal Sulfides ◽  
Transition Metal Sulfides ◽  
Nanosheet Arrays ◽  
Excellent Activity ◽  
Earth Abundant ◽  
Iron Based

The development of earth-abundant transition metal sulfides electrocatalysts with excellent activity and stability toward alkaline hydrogen evolution reaction (HER) is critical but challenging. Iron-based sulfides are favored due to their...

Electronic structure engineering of single atomic Ru by Ru nanoparticles to enable enhanced activity for alkaline water reduction

2019 ◽  
Vol 7 (33) ◽  
pp. 19531-19538 ◽  
Author(s):  
Qi Hu ◽  
Guomin Li ◽  
Xiaowan Huang ◽  
Ziyu Wang ◽  
Hengpan Yang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Electronic Structures ◽  
Alkaline Water ◽  
Water Reduction ◽  
Ru Nanoparticles ◽  
Enhanced Activity ◽  
Structure Engineering

The electronic structures of single atomic Ru (SA-Ru) were suitably optimized by nearby Ru NPs for boosting the hydrogen evolution reaction (HER) over SA-Ru.

scholarly journals Defect-Rich Heterogeneous MoS2/rGO/NiS Nanocomposite for Efficient pH-Universal Hydrogen Evolution

Nanomaterials ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 662 ◽  
Author(s):  
Guangsheng Liu ◽  
Kunyapat Thummavichai ◽  
Xuefeng Lv ◽  
Wenting Chen ◽  
Tingjun Lin ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Reduced Graphene ◽  
Heterogeneous Interfaces ◽  
Wide Ph Range ◽  
Ph Range ◽  
A Current ◽  
Poor Stability

Molybdenum disulfide (MoS2) has been universally demonstrated to be an effective electrocatalytic catalyst for hydrogen evolution reaction (HER). However, the low conductivity, few active sites and poor stability of MoS2-based electrocatalysts hinder its hydrogen evolution performance in a wide pH range. The introduction of other metal phases and carbon materials can create rich interfaces and defects to enhance the activity and stability of the catalyst. Herein, a new defect-rich heterogeneous ternary nanocomposite consisted of MoS2, NiS and reduced graphene oxide (rGO) are synthesized using ultrathin αNi(OH)2 nanowires as the nickel source. The MoS2/rGO/NiS-5 of optimal formulation in 0.5 M H2SO4, 1.0 M KOH and 1.0 M PBS only requires 152, 169 and 209 mV of overpotential to achieve a current density of 10 mA cm−2 (denoted as η10), respectively. The excellent HER performance of the MoS2/rGO/NiS-5 electrocatalyst can be ascribed to the synergistic effect of abundant heterogeneous interfaces in MoS2/rGO/NiS, expanded interlayer spacings, and the addition of high conductivity graphene oxide. The method reported here can provide a new idea for catalyst with Ni-Mo heterojunction, pH-universal and inexpensive hydrogen evolution reaction electrocatalyst.

Sulfur vacancy-tailored NiCo2S4 nanosheet arrays for the hydrogen evolution reaction at all pH values

2020 ◽  
Vol 10 (4) ◽  
pp. 1056-1065 ◽  
Author(s):  
Xiaoliang Guo ◽  
Zhiming Liu ◽  
Fang Liu ◽  
Jun Zhang ◽  
Lekai Zheng ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Sulfur Vacancy ◽  
Ph Values ◽  
Nanosheet Arrays

Sulfur vacancy-tailored NiCo2S4 nanosheet arrays as efficient electrocatalysts for the hydrogen evolution reaction at all pH values.

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