Fluoride Perovskite (KNixCo1–xF3) Oxygen-Evolution Electrocatalyst with Highly Polarized Electronic Configuration

2021 ◽  
Author(s):  
Shivaraju Guddehalli Chandrappa ◽  
Prabu Moni ◽  
Dehong Chen ◽  
Guruprakash Karkera ◽  
Kunkanadu R. Prakasha ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Electronic Configuration

Variation of Electrocatalytic Activity of Isostructural Oxides Sr2LaFeMnO7 and Sr2LaCoMnO7 for Hydrogen and Oxygen-Evolution Reactions

2021 ◽  
Author(s):  
Chandana C.W. Kananke-Gamage ◽  
Farshid Ramezanipour
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Charge Transport ◽  
Oxygen Evolution ◽  
Electrocatalytic Activity ◽  
Electronic Configuration

The effect of the electronic configuration of transition metal on electrocatalytic activity, charge transport, and magnetic properties is demonstrated through investigation of Sr2LaFeMnO7 and Sr2LaCoMnO7. The two compounds are isostructural...

Tailoring the nanostructure and electronic configuration of metal phosphides for efficient electrocatalytic oxygen evolution reactions

Nano Energy ◽  
2020 ◽  
Vol 69 ◽  
pp. 104453 ◽  
Author(s):  
Changshui Wang ◽  
Weibin Chen ◽  
Ding Yuan ◽  
Shangshu Qian ◽  
Dandan Cai ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Electronic Configuration ◽  
Metal Phosphides

Electronic configuration modulation of tin dioxide by phosphorus dopant for pathway change in electrocatalytic water oxidation

2021 ◽  
Author(s):  
Hao Wan ◽  
Xue Xiao ◽  
Wei Ma ◽  
Ying Zhang ◽  
Xiaohe Liu ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
Reaction Kinetics ◽  
Water Splitting ◽  
Oxygen Evolution ◽  
Water Oxidation ◽  
Tin Dioxide ◽  
Electronic Configuration ◽  
Semiconductor Materials ◽  
Crucial Part ◽  
Kinetics Of

Oxygen evolution process is a crucial part determining the total reaction kinetics of electrocatalytic overall water splitting for clean hydrogen production. However, for some semiconductor materials, e.g. tin dioxide (SnO2)...

Boosting the oxygen evolution activity over cobalt nitride nanosheets through optimizing the electronic configuration

2021 ◽  
Vol 286 ◽  
pp. 119894 ◽  
Author(s):  
Huanhuan Liu ◽  
Jia Lei ◽  
Shangjie Yang ◽  
Fengfeng Qin ◽  
Lei Cui ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Electronic Configuration

Rational prediction of multifunctional bilayer single atom catalysts for the hydrogen evolution, oxygen evolution and oxygen reduction reactions

Nanoscale ◽  
2020 ◽  
Vol 12 (39) ◽  
pp. 20413-20424
Author(s):  
Riming Hu ◽  
Yongcheng Li ◽  
Fuhe Wang ◽  
Jiaxiang Shang
Keyword(s):  
Oxygen Reduction ◽  
Hydrogen Evolution ◽  
Oxygen Evolution ◽  
Single Atom ◽  
Reduction Reactions ◽  
Oxygen Reduction Reactions

Bilayer single atom catalysts can serve as promising multifunctional electrocatalysts for the HER, ORR, and OER.

Towards a Design of Active Oxygen Evolution Catalysts: Insights from Automated Density Functional Theory Calculations and Machine Learning

2019 ◽  
Author(s):  
Seoin Back ◽  
Kevin Tran ◽  
Zachary Ulissi
Keyword(s):  
Machine Learning ◽  
Oxygen Evolution ◽  
Active Sites ◽  
Density Functional ◽  
Chemical Space ◽  
Density Functional Theory Calculations ◽  
Catalyst Design ◽  
Transition Metal Catalysts ◽  
Oxide Materials ◽  
Design Strategies

<div> <div> <div> <div><p>Developing active and stable oxygen evolution catalysts is a key to enabling various future energy technologies and the state-of-the-art catalyst is Ir-containing oxide materials. Understanding oxygen chemistry on oxide materials is significantly more complicated than studying transition metal catalysts for two reasons: the most stable surface coverage under reaction conditions is extremely important but difficult to understand without many detailed calculations, and there are many possible active sites and configurations on O* or OH* covered surfaces. We have developed an automated and high-throughput approach to solve this problem and predict OER overpotentials for arbitrary oxide surfaces. We demonstrate this for a number of previously-unstudied IrO2 and IrO3 polymorphs and their facets. We discovered that low index surfaces of IrO2 other than rutile (110) are more active than the most stable rutile (110), and we identified promising active sites of IrO2 and IrO3 that outperform rutile (110) by 0.2 V in theoretical overpotential. Based on findings from DFT calculations, we pro- vide catalyst design strategies to improve catalytic activity of Ir based catalysts and demonstrate a machine learning model capable of predicting surface coverages and site activity. This work highlights the importance of investigating unexplored chemical space to design promising catalysts.<br></p></div></div></div></div><div><div><div> </div> </div> </div>

S Doping Optimized Intermediate Energetics of FeCoOOh for Enhanced Oxygen Evolution Catalytic Activity

2020 ◽  
Author(s):  
Ding Yuan ◽  
Yuhai Dou ◽  
Chun-Ting He ◽  
Linping Yu ◽  
Li Xu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Oxygen Evolution

ALGAE AND PROGRESS IN PHOTOSYNTHESIS RESEARCH I-Oxygen evolution and carbon fixation

2000 ◽  
Vol 1 (1) ◽  
pp. 235-244
Author(s):  
Ahmed Hamad ◽  
Mohamed Osman ◽  
Refaat Abdel-Basset
Keyword(s):  
Oxygen Evolution ◽  
Carbon Fixation ◽  
Photosynthesis Research
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