scholarly journals Controlling the Active Sites of Sulfur-Doped Carbon Nanotube-Graphene Nanolobes for Highly Efficient Oxygen Evolution and Reduction Catalysis

2015 ◽  
Vol 6 (5) ◽  
pp. 1501966 ◽  
Author(s):  
Abdelhamid M. El-Sawy ◽  
Islam M. Mosa ◽  
Dong Su ◽  
Curtis J. Guild ◽  
Syed Khalid ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Oxygen Evolution ◽  
Active Sites ◽  
Highly Efficient

scholarly journals Identification of catalytic sites for oxygen reduction and oxygen evolution in N-doped graphene materials: Development of highly efficient metal-free bifunctional electrocatalyst

2016 ◽  
Vol 2 (4) ◽  
pp. e1501122 ◽  
Author(s):  
Hong Bin Yang ◽  
Jianwei Miao ◽  
Sung-Fu Hung ◽  
Jiazang Chen ◽  
Hua Bing Tao ◽  
...  
Keyword(s):  
Energy Conversion ◽  
Oxygen Reduction ◽  
Oxygen Evolution ◽  
Active Sites ◽  
Carbon Nanomaterials ◽  
Specific Capacity ◽  
Open Circuit ◽  
Practical Significance ◽  
Metal Free ◽  
Highly Efficient

Oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are critical to renewable energy conversion and storage technologies. Heteroatom-doped carbon nanomaterials have been reported to be efficient metal-free electrocatalysts for ORR in fuel cells for energy conversion, as well as ORR and OER in metal-air batteries for energy storage. We reported that metal-free three-dimensional (3D) graphene nanoribbon networks (N-GRW) doped with nitrogen exhibited superb bifunctional electrocatalytic activities for both ORR and OER, with an excellent stability in alkaline electrolytes (for example, KOH). For the first time, it was experimentally demonstrated that the electron-donating quaternary N sites were responsible for ORR, whereas the electron-withdrawing pyridinic N moieties in N-GRW served as active sites for OER. The unique 3D nanoarchitecture provided a high density of the ORR and OER active sites and facilitated the electrolyte and electron transports. As a result, the as-prepared N-GRW holds great potential as a low-cost, highly efficient air cathode in rechargeable metal-air batteries. Rechargeable zinc-air batteries with the N-GRW air electrode in a two-electrode configuration exhibited an open-circuit voltage of 1.46 V, a specific capacity of 873 mAh g−1, and a peak power density of 65 mW cm−2, which could be continuously charged and discharged with an excellent cycling stability. Our work should open up new avenues for the development of various carbon-based metal-free bifunctional electrocatalysts of practical significance.

Highly Efficient g‐C 3 N 4 Nanorods with Dual Active Sites as an Electrocatalyst for the Oxygen Evolution Reaction

ChemCatChem ◽  
2019 ◽  
Vol 11 (12) ◽  
pp. 2870-2878 ◽  
Author(s):  
Bezawit Z. Desalegn ◽  
Harsharaj S. Jadhav ◽  
Jeong Gil Seo
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Active Sites ◽  
Highly Efficient

Crystal lattice distortion in ultrathin Co(OH)2nanosheets inducing elongated Co–OOHbonds for highly efficient oxygen evolution reaction

2017 ◽  
Vol 19 (24) ◽  
pp. 5809-5817 ◽  
Author(s):  
Haidong Yang ◽  
Yu Long ◽  
Yan Zhu ◽  
Ziming Zhao ◽  
Ping Ma ◽  
...  
Keyword(s):  
Crystal Lattice ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Active Sites ◽  
Lattice Distortion ◽  
Highly Efficient ◽  
Catalytic Active Sites ◽  
Cobalt Hydroxides ◽  
Crystal Lattice Distortion

The highly efficient OER performance of the ultrathin cobalt hydroxides nanosheets is due to the elongated Co–OOHbonds generated from crystal lattice distortion, which can serve as the efficiently catalytic active sites.

Engineering of carbon nanotube-grafted carbon nanosheets encapsulating cobalt nanoparticles for efficient electrocatalytic oxygen evolution

2020 ◽  
Vol 8 (47) ◽  
pp. 25268-25274
Author(s):  
Weiwei Yang ◽  
Yu Bai ◽  
Jiahuan Ma ◽  
Zhenhua Wang ◽  
Wang Sun ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Structural Material ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Active Sites ◽  
Cobalt Nanoparticles ◽  
Carbon Nanosheets ◽  
Electrocatalytic Performance

The introduction of volatile zinc and LDHs improves the exposure of active sites, thereby enhancing the electrocatalytic performance of the hierarchical structural material toward the oxygen evolution reaction.

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>

Efficient spatial charge separation in unique 2D tandem heterojunction CdxZn1−xIn2S4–CdS–MoS2 rendering highly-promoted visible-light-induced H2 generation

2021 ◽  
Vol 9 (1) ◽  
pp. 482-491
Author(s):  
Jiakun Wu ◽  
Bowen Sun ◽  
Hui Wang ◽  
Yanyan Li ◽  
Ying Zuo ◽  
...  
Keyword(s):  
Visible Light ◽  
Charge Separation ◽  
Effective Charge ◽  
Active Sites ◽  
H2 Generation ◽  
Highly Efficient ◽  
Spatial Charge

Unique 2D heterostructures CdxZn1−xIn2S4–CdS–MoS2 with effective charge separation, excellent light-harvest, and abundant active sites are highly-efficient for photocatalytic H2 evolution.

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