Unravelling the Origin of Bifunctional OER/ORR Activity for Single-Atom Catalysts Supported on C2N by DFT and Machine Learning

2021 ◽  
Author(s):  
Yiran Ying ◽  
Ke Fan ◽  
Xin Luo ◽  
Jinli Qiao ◽  
Haitao Huang
Keyword(s):  
Machine Learning ◽  
Fuel Cells ◽  
Oxygen Evolution ◽  
High Performance ◽  
Reduction Reaction ◽  
Single Atom ◽  
Orr Activity

Designing high-performance bifunctional oxygen evolution/reduction reaction (OER/ORR) catalysts is a newly emerged topic with wide applications in metal-air batteries and fuel cells. Herein, we report a group of (27) single-atom...

Single-Atom Oxygen Reduction Reaction Electrocatalysts of Fe, Si, and N co-doped Carbon with 3D Interconnected Mesoporosity

2021 ◽  
Author(s):  
Hee Soo Kim ◽  
CHI HO LEE ◽  
Jue-Hyukk Jang ◽  
Min Seok Kang ◽  
Haneul Jin ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
High Performance ◽  
Reduction Reaction ◽  
Anion Exchange Membrane ◽  
Single Atom ◽  
Air Battery ◽  
Orr Activity ◽  
Exchange Membrane ◽  
Co Doped

Development of non Pt-based catalysts (non-PBCs) that show excellent oxygen reduction reaction (ORR) activity for high-performance Zn-air battery (ZAB) and anion exchange membrane fuel cell (AEMFC) is highly necessitated. Here,...

Directly predicting limiting potentials from easily obtainable physical properties of graphene-supported single-atom electrocatalysts by machine learning

2020 ◽  
Vol 8 (11) ◽  
pp. 5663-5670 ◽  
Author(s):  
Shiru Lin ◽  
Haoxiang Xu ◽  
Yekun Wang ◽  
Xiao Cheng Zeng ◽  
Zhongfang Chen
Keyword(s):  
Machine Learning ◽  
Oxygen Reduction Reaction ◽  
Physical Properties ◽  
Oxygen Reduction ◽  
Hydrogen Evolution ◽  
Oxygen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Oxygen Evolution Reaction ◽  
Reduction Reaction ◽  
Single Atom

The oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER) are three critical reactions for energy-related applications, such as water electrolyzers and metal–air batteries.

scholarly journals High performance platinum single atom electrocatalyst for oxygen reduction reaction

2017 ◽  
Vol 8 (1) ◽  
Author(s):  
Jing Liu ◽  
Menggai Jiao ◽  
Lanlu Lu ◽  
Heather M. Barkholtz ◽  
Yuping Li ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Fuel Cells ◽  
Fuel Cell ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
High Performance ◽  
Large Scale ◽  
Theoretical Calculations ◽  
Reduction Reaction ◽  
Single Atom

Abstract For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/methanol tolerance for the cathodic oxygen reduction reaction. The acidic single-cell with such a catalyst as cathode delivers high performance, with power density up to 680 mW cm−2 at 80 °C with a low platinum loading of 0.09 mgPt cm−2, corresponding to a platinum utilization of 0.13 gPt kW−1 in the fuel cell. Good fuel cell durability is also observed. Theoretical calculations reveal that the main effective sites on such platinum single-atom electrocatalysts are single-pyridinic-nitrogen-atom-anchored single-platinum-atom centres, which are tolerant to carbon monoxide/methanol, but highly active for the oxygen reduction reaction.

Tunable mesoporous manganese oxide for high performance oxygen reduction and evolution reactions

2016 ◽  
Vol 4 (2) ◽  
pp. 620-631 ◽  
Author(s):  
Islam M. Mosa ◽  
Sourav Biswas ◽  
Abdelhamid M. El-Sawy ◽  
Venkatesh Botu ◽  
Curtis Guild ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Manganese Oxide ◽  
Oxygen Reduction ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
High Performance ◽  
Reduction Reaction ◽  
Noble Metal Catalysts ◽  
Highly Active ◽  
State Of Art

Understanding the origin of manganese oxide activity for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) is a key step towards rationally designing of highly active catalysts capable of competing with the widely used, state-of-art noble metal catalysts.

scholarly journals The mechanism of Co oxyhydroxide nano-islands deposited on a Pt surface to promote the oxygen reduction reaction at the cathode of fuel cells

RSC Advances ◽  
2020 ◽  
Vol 10 (73) ◽  
pp. 44719-44727
Author(s):  
Jinghao Lu ◽  
Libin Yang ◽  
Wei Guo ◽  
Songtao Xiao ◽  
Lingyu Wang ◽  
...  
Keyword(s):  
Fuel Cells ◽  
Binding Energy ◽  
Oxygen Reduction Reaction ◽  
Bond Length ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Band Center ◽  
Orr Activity ◽  
Positive Effect

The Pt–OCoOH structure has a positive effect on the ORR; the bond length, binding energy and d-band center were investigated to explain the improved ORR activity.

scholarly journals Anchoring MnCo2O4 Nanorods from Bimetal-Organic Framework on rGO for High-Performance Oxygen Evolution and Reduction Reaction

ACS Omega ◽  
2019 ◽  
Vol 4 (27) ◽  
pp. 22325-22331
Author(s):  
Hongxun Yang ◽  
Miaomiao Zhu ◽  
Xingmei Guo ◽  
Chao Yan ◽  
Shengling Lin
Keyword(s):  
Oxygen Evolution ◽  
High Performance ◽  
Reduction Reaction ◽  
Organic Framework

scholarly journals Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Linlin Cao ◽  
Qiquan Luo ◽  
Jiajia Chen ◽  
Lan Wang ◽  
Yue Lin ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
High Performance ◽  
Theoretical Calculations ◽  
Cost Effective ◽  
Carbon Support ◽  
Oxygen Adsorption ◽  
Single Atom ◽  
Intrinsic Activity ◽  
Acid Media

Abstract Achieving active and stable oxygen evolution reaction (OER) in acid media based on single-atom catalysts is highly promising for cost-effective and sustainable energy supply in proton electrolyte membrane electrolyzers. Here, we report an atomically dispersed Ru1-N4 site anchored on nitrogen-carbon support (Ru-N-C) as an efficient and durable electrocatalyst for acidic OER. The single-atom Ru-N-C catalyst delivers an exceptionally intrinsic activity, reaching a mass activity as high as 3571 A gmetal−1 and turnover frequency of 3348 O2 h−1 with a low overpotential of 267 mV at a current density of 10 mA cm−2. The catalyst shows no evident deactivation or decomposition after 30-hour operation in acidic environment. Operando synchrotron radiation X-ray absorption spectroscopy and infrared spectroscopy identify the dynamic adsorption of single oxygen atom on Ru site under working potentials, and theoretical calculations demonstrate that the O-Ru1-N4 site is responsible for the high OER activity and stability.

scholarly journals Improvement of Catalytic Activity of Platinum Nanoparticles Decorated Carbon Graphene Composite on Oxygen Electroreduction for Fuel Cells

Processes ◽  
2019 ◽  
Vol 7 (9) ◽  
pp. 586 ◽  
Author(s):  
Halima Begum ◽  
Young-Bae Kim
Keyword(s):  
Catalytic Activity ◽  
Fuel Cells ◽  
Surface Area ◽  
High Performance ◽  
Pt Nanoparticles ◽  
Reduction Reaction ◽  
Graphene Sheets ◽  
Crossover Effect ◽  
Onset Potential ◽  
Monolayer Dispersion

High-performance platinum (Pt)-based catalyst development is crucially important for reducing high overpotential of sluggish oxygen reduction reaction (ORR) at Pt-based electrocatalysts, although the high cost and scarcity in nature of Pt are profoundly hampering the practical use of it in fuel cells. Thus, the enhancing activity of Pt-based electrocatalysts with minimal Pt-loading through alloy, core−shell or composite making has been implemented. This article deals with enhancing electrocatalytic activity on ORR of commercially available platinum/carbon (Pt/C) with graphene sheets through a simple composite making. The Pt/C with graphene sheets composite materials (denoted as Pt/Cx:G10−x) have been characterized by several instrumental measurements. It shows that the Pt nanoparticles (NPs) from the Pt/C have been transferred towards the π-conjugated systems of the graphene sheets with better monolayer dispersion. The optimized Pt/C8:G2 composite has higher specific surface area and better degree of graphitization with better dispersion of NPs. As a result, it shows not only stable electrochemical surface area but also enhanced ORR catalytic activity in respect to the onset potential, mass activity and electron transfer kinetics. As shown by the ORR, the Pt/C8:G2 composite is also better resistive to the alcohol crossover effect and more durable than the Pt/C.

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