Beyond 1T‐phase? Synergistic Electronic Structure and Defects Engineering in 2H‐MoS 2x Se 2(1‐x) Nanosheets for Enhanced Hydrogen Evolution Reaction and Sodium Storage

ChemCatChem ◽  
2019 ◽  
Vol 11 (14) ◽  
pp. 3200-3211 ◽  
Author(s):  
Ran Wang ◽  
Xiaofeng Li ◽  
Tangling Gao ◽  
Tai Yao ◽  
Shengwei Liu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Sodium Storage

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 Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yamei Sun ◽  
Ziqian Xue ◽  
Qinglin Liu ◽  
Yaling Jia ◽  
Yinle Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Catalyst Design ◽  
Single Atom ◽  
Hydrogen Energy ◽  
Structure Of Metal ◽  
Metal Organic

AbstractDeveloping high-performance electrocatalysts toward hydrogen evolution reaction is important for clean and sustainable hydrogen energy, yet still challenging. Herein, we report a single-atom strategy to construct excellent metal-organic frameworks (MOFs) hydrogen evolution reaction electrocatalyst (NiRu0.13-BDC) by introducing atomically dispersed Ru. Significantly, the obtained NiRu0.13-BDC exhibits outstanding hydrogen evolution activity in all pH, especially with a low overpotential of 36 mV at a current density of 10 mA cm−2 in 1 M phosphate buffered saline solution, which is comparable to commercial Pt/C. X-ray absorption fine structures and the density functional theory calculations reveal that introducing Ru single-atom can modulate electronic structure of metal center in the MOF, leading to the optimization of binding strength for H2O and H*, and the enhancement of HER performance. This work establishes single-atom strategy as an efficient approach to modulate electronic structure of MOFs for catalyst design.

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...

Electronic structure tuning during facile construction of two-phase tungsten based electrocatalyst for hydrogen evolution reaction

2018 ◽  
Vol 283 ◽  
pp. 834-841 ◽  
Author(s):  
Meiqin Shi ◽  
Wang Li ◽  
Jun Fang ◽  
Zhuangzhuang Jiang ◽  
Jing Gao ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Two Phase

scholarly journals On the electronic structure and hydrogen evolution reaction activity of platinum group metal-based high-entropy-alloy nanoparticles

2020 ◽  
Vol 11 (47) ◽  
pp. 12731-12736 ◽  
Author(s):  
Dongshuang Wu ◽  
Kohei Kusada ◽  
Tomokazu Yamamoto ◽  
Takaaki Toriyama ◽  
Syo Matsumura ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Platinum Group Metal ◽  
High Entropy Alloy ◽  
Band Spectrum ◽  
Alloy Nanoparticles ◽  
Valence Band Spectrum ◽  
High Hydrogen ◽  
High Entropy

RuRhPdIrPt high-entropy-alloy nanoparticles with a broad and featureless valence band spectrum show high hydrogen evolution reaction activity.

scholarly journals Electronic Structure and d-Band Center Control Engineering over Ni-Doped CoP3 Nanowall Arrays for Boosting Hydrogen Production

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1595
Author(s):  
Jing Qi ◽  
Tianli Wu ◽  
Mengyao Xu ◽  
Dan Zhou ◽  
Zhubing Xiao
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
Hydrogen Evolution Reaction ◽  
Three Dimensional ◽  
Carbon Cloth ◽  
Ni Doping ◽  
Band Center ◽  
Electrocatalytic Performance ◽  
Gaseous Transfer

To address the challenge of highly efficient water splitting into H2, successful fabrication of novel porous three-dimensional Ni-doped CoP3 nanowall arrays on carbon cloth was realized, resulting in an effective self-supported electrode for the electrocatalytic hydrogen-evolution reaction. The synthesized samples exhibit rough, curly, and porous structures, which are beneficial for gaseous transfer and diffusion during the electrocatalytic process. As expected, the obtained Ni-doped CoP3 nanowall arrays with a doping concentration of 7% exhibit the promoted electrocatalytic activity. The achieved overpotentials of 176 mV for the hydrogen-evolution reaction afford a current density of 100 mA cm−2, which indicates that electrocatalytic performance can be dramatically enhanced via Ni doping. The Ni-doped CoP3 electrocatalysts with increasing catalytic activity should have significant potential in the field of water splitting into H2. This study also opens an avenue for further enhancement of electrocatalytic performance through tuning of electronic structure and d-band center by doping.

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