Theoretical Considerations on Activity of the Electrochemical CO2 Reduction on Metal Single-Atom Catalysts with Asymmetrical Active Sites

2021 ◽  
Author(s):  
Sijia Fu ◽  
Xin Liu ◽  
Jingrun Ran ◽  
Yan Jiao
Keyword(s):  
Active Sites ◽  
Co2 Reduction ◽  
Single Atom ◽  
Electrochemical Co2 Reduction ◽  
Theoretical Considerations

Atomic regulation of metal-organic framework derived carbon-based single-atom catalysts for electrochemical CO2 reduction reaction

2021 ◽  
Author(s):  
Danni Zhou ◽  
Xinyuan Li ◽  
Huishan Shang ◽  
Fengjuan Qin ◽  
Wenxing Chen
Keyword(s):  
Active Sites ◽  
Metal Organic Framework ◽  
Co2 Reduction ◽  
Carbon Dioxide Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Electrochemical Co2 Reduction ◽  
Metal Organic ◽  
Co2 Reduction Reaction ◽  
Organic Framework

Metal-organic framework (MOF) derived single-atom catalysts (SACs), featured unique active sites and adjustable topological structures, exhibit high electrocatalytic performance on carbon dioxide reduction reactions (CO2RR). By modulating elements and atomic...

scholarly journals Investigation of Gas Diffusion Electrode Systems for the Electrochemical CO2 Conversion

Catalysts ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 482
Author(s):  
Hilmar Guzmán ◽  
Federica Zammillo ◽  
Daniela Roldán ◽  
Camilla Galletti ◽  
Nunzio Russo ◽  
...  
Keyword(s):  
Carbon Capture ◽  
Active Sites ◽  
Co2 Reduction ◽  
Gas Diffusion ◽  
Gas Diffusion Electrode ◽  
Catalyst Loading ◽  
Co2 Conversion ◽  
Atmospheric Conditions ◽  
Electrochemical Co2 Reduction ◽  
Liquid Products

Electrochemical CO2 reduction is a promising carbon capture and utilisation technology. Herein, a continuous flow gas diffusion electrode (GDE)-cell configuration has been studied to convert CO2 via electrochemical reduction under atmospheric conditions. To this purpose, Cu-based electrocatalysts immobilised on a porous and conductive GDE have been tested. Many system variables have been evaluated to find the most promising conditions able to lead to increased production of CO2 reduction liquid products, specifically: applied potentials, catalyst loading, Nafion content, KHCO3 electrolyte concentration, and the presence of metal oxides, like ZnO or/and Al2O3. In particular, the CO productivity increased at the lowest Nafion content of 15%, leading to syngas with an H2/CO ratio of ~1. Meanwhile, at the highest Nafion content (45%), C2+ products formation has been increased, and the CO selectivity has been decreased by 80%. The reported results revealed that the liquid crossover through the GDE highly impacts CO2 diffusion to the catalyst active sites, thus reducing the CO2 conversion efficiency. Through mathematical modelling, it has been confirmed that the increase of the local pH, coupled to the electrode-wetting, promotes the formation of bicarbonate species that deactivate the catalysts surface, hindering the mechanisms for the C2+ liquid products generation. These results want to shine the spotlight on kinetics and transport limitations, shifting the focus from catalytic activity of materials to other involved factors.

Structural Rule of N-Coordinated Single Atomic Catalysts for Electrochemical CO2 Reduction

2022 ◽  
Author(s):  
Zhenxin Lou ◽  
Wenjing Li ◽  
Haiyang Yuan ◽  
Yu Hou ◽  
Huagui Yang ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Single Atom ◽  
Structural Rule ◽  
Metal Centers ◽  
Nitrogen Doped ◽  
Electrochemical Co2 Reduction

Metal single-atom catalysts (SACs) on nitrogen-doped carbons exhibit an attractive prospect in catalysis. However, how to quickly collocate various metal centers with diversified N-coordination topologic structures to maximize the catalytic...

Understanding the role of axial O in CO2 electroreduction on NiN4 single-atom catalysts via simulations in realistic electrochemical environment

2021 ◽  
Author(s):  
Xu Hu ◽  
Sai Yao ◽  
Letian Chen ◽  
Xu Zhang ◽  
Menggai Jiao ◽  
...  
Keyword(s):  
Sustainable Development ◽  
Heterogeneous Catalysis ◽  
Co2 Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Electrochemical Co2 Reduction ◽  
Co2 Electroreduction ◽  
Important Approach ◽  
Co2 Reduction Reaction

Electrochemical CO2 reduction reaction (CO2RR) is a very important approach to realize sustainable development. Single-atom catalysts show advantages in both homogeneous and heterogeneous catalysis, and considerable progress has been made...

Atomic-level active sites of efficient imidazolate framework-derived nickel catalysts for CO2 reduction

2019 ◽  
Vol 7 (46) ◽  
pp. 26231-26237 ◽  
Author(s):  
Fuping Pan ◽  
Hanguang Zhang ◽  
Zhenyu Liu ◽  
David Cullen ◽  
Kexi Liu ◽  
...  
Keyword(s):  
Active Sites ◽  
Co2 Reduction ◽  
Nickel Catalysts ◽  
Atomic Level ◽  
Single Atom ◽  
Dangling Bond

Active sites of single-atom nickel catalysts for CO2 reduction were revealed to be edge-located Ni–N2+2 sites with dangling bond-containing carbon atoms, which facilitate the dissociation of the C–O bond of *COOH intermediate.

Electrochemical CO2 reduction: from nanoclusters to single atom catalysts

2020 ◽  
Vol 4 (3) ◽  
pp. 1012-1028 ◽  
Author(s):  
Fang Lü ◽  
Haihong Bao ◽  
Yuying Mi ◽  
Yifan Liu ◽  
Jiaqiang Sun ◽  
...  
Keyword(s):  
Transition Metal ◽  
Noble Metal ◽  
Co2 Reduction ◽  
Single Atom ◽  
Electrochemical Co2 Reduction

We reviewed recent significant developments of noble-metal or transition-metal-based nanoclusters or single-atom catalysts that have been used in electrocatalytic CO2 reduction.

Theoretical investigation on graphene-supported single-atom catalysts for electrochemical CO2 reduction

2020 ◽  
Vol 10 (24) ◽  
pp. 8465-8472
Author(s):  
Xiting Wang ◽  
Huan Niu ◽  
Yuanshuang Liu ◽  
Chen Shao ◽  
John Robertson ◽  
...  
Keyword(s):  
Graphene Sheet ◽  
Theoretical Investigation ◽  
First Principles ◽  
Co2 Reduction ◽  
Single Atom ◽  
First Principles Calculations ◽  
Electrochemical Co2 Reduction

TM atoms supported on the graphene sheet (TM@Grs) as promising CO2 catalysts were investigated by first-principles calculations. Cr-, Co- and Rh@Grs show remarkable performance with the low limiting potentials for CO2RR.

Highly dispersed CuFe-nitrogen active sites electrode for synergistic electrochemical CO2 reduction at low overpotential

2020 ◽  
Vol 269 ◽  
pp. 115029
Author(s):  
Fuhuan Wang ◽  
Heping Xie ◽  
Tao Liu ◽  
Yifan Wu ◽  
Bin Chen
Keyword(s):  
Active Sites ◽  
Co2 Reduction ◽  
Electrochemical Co2 Reduction ◽  
Highly Dispersed ◽  
Low Overpotential
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