scholarly journals Dipole Field Interactions Determine the CO2 Reduction Activity of 2D FeNC Single Atom Catalysts

2020 ◽  
Author(s):  
Sudarshan Vijay ◽  
Joseph Gauthier ◽  
Hendrik Heenen ◽  
Vanessa Jane Bukas ◽  
Henrik Høgh Kristoffersen ◽  
...  
Keyword(s):  
Rational Design ◽  
Design Principle ◽  
Ph Dependence ◽  
Co2 Reduction ◽  
Catalyst Design ◽  
Single Atom ◽  
Reduction Activity ◽  
Electrochemical Co2 Reduction ◽  
Doped Graphene ◽  
Fuels And Chemicals

<p>Electrochemical CO2 Reduction (CO2R) can potentially allow for the sustainable production of valuable fuels and chemicals. Recently, single atom catalysts on a 2D support have been shown to be a promising catalyst candidate. Using state-of-the-art methods, we develop a model for Fe doped graphene which rationalises several critical experimental observations: the contentious origin of the pH dependence of reactivity and the dependence of current-potential relationships on active site. We show that single atom catalysts have the unique ability to stabilise different dipoles associated with critical reaction intermediates, which translates to significant shifts in activity. This provides a new rational design principle and paves the way for rigorous computation-guided catalyst design of new single atom catalysts for CO2R.</p>

scholarly journals Dipole Field Interactions Determine the CO2 Reduction Activity of 2D FeNC Single Atom Catalysts

2020 ◽  
Author(s):  
Sudarshan Vijay ◽  
Joseph Gauthier ◽  
Hendrik Heenen ◽  
Vanessa Jane Bukas ◽  
Henrik Høgh Kristoffersen ◽  
...  
Keyword(s):  
Rational Design ◽  
Design Principle ◽  
Ph Dependence ◽  
Co2 Reduction ◽  
Catalyst Design ◽  
Single Atom ◽  
Reduction Activity ◽  
Electrochemical Co2 Reduction ◽  
Doped Graphene ◽  
Fuels And Chemicals

<p>Electrochemical CO2 Reduction (CO2R) can potentially allow for the sustainable production of valuable fuels and chemicals. Recently, single atom catalysts on a 2D support have been shown to be a promising catalyst candidate. Using state-of-the-art methods, we develop a model for Fe doped graphene which rationalises several critical experimental observations: the contentious origin of the pH dependence of reactivity and the dependence of current-potential relationships on active site. We show that single atom catalysts have the unique ability to stabilise different dipoles associated with critical reaction intermediates, which translates to significant shifts in activity. This provides a new rational design principle and paves the way for rigorous computation-guided catalyst design of new single atom catalysts for CO2R.</p>

scholarly journals Dipole Field Interactions Determine the CO2 Reduction Activity of 2D FeNC Single Atom Catalysts

2020 ◽  
Author(s):  
Sudarshan Vijay ◽  
Joseph Gauthier ◽  
Hendrik Heenen ◽  
Vanessa Jane Bukas ◽  
Henrik Høgh Kristoffersen ◽  
...  
Keyword(s):  
Rational Design ◽  
Design Principle ◽  
Ph Dependence ◽  
Co2 Reduction ◽  
Catalyst Design ◽  
Single Atom ◽  
Reduction Activity ◽  
Electrochemical Co2 Reduction ◽  
Doped Graphene ◽  
Fuels And Chemicals

<p>Electrochemical CO2 Reduction (CO2R) can potentially allow for the sustainable production of valuable fuels and chemicals. Recently, single atom catalysts on a 2D support have been shown to be a promising catalyst candidate. Using state-of-the-art methods, we develop a model for Fe doped graphene which rationalises several critical experimental observations: the contentious origin of the pH dependence of reactivity and the dependence of current-potential relationships on active site. We show that single atom catalysts have the unique ability to stabilise different dipoles associated with critical reaction intermediates, which translates to significant shifts in activity. This provides a new rational design principle and paves the way for rigorous computation-guided catalyst design of new single atom catalysts for CO2R.</p>

scholarly journals Transition metal-based catalysts for the electrochemical CO2 reduction: from atoms and molecules to nanostructured materials

2020 ◽  
Vol 49 (19) ◽  
pp. 6884-6946 ◽  
Author(s):  
Federico Franco ◽  
Clara Rettenmaier ◽  
Hyo Sang Jeon ◽  
Beatriz Roldan Cuenya
Keyword(s):  
Transition Metal ◽  
Nanostructured Materials ◽  
Rational Design ◽  
Co2 Reduction ◽  
Nanostructured Catalysts ◽  
Single Atom ◽  
Molecular Systems ◽  
Atoms And Molecules ◽  
Electrochemical Conversion ◽  
Electrochemical Co2 Reduction

An overview of the main strategies for the rational design of transition metal-based catalysts for the electrochemical conversion of CO2, ranging from molecular systems to single-atom and nanostructured catalysts.

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...

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...

scholarly journals Electrochemical CO2 Reduction with Atomic Iron-Dispersed on Nitrogen-Doped Graphene

2018 ◽  
Vol 8 (19) ◽  
pp. 1703487 ◽  
Author(s):  
Chenhao Zhang ◽  
Shize Yang ◽  
Jingjie Wu ◽  
Mingjie Liu ◽  
Sadegh Yazdi ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Nitrogen Doped ◽  
Electrochemical Co2 Reduction ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

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.

Sign in / Sign up

Export Citation Format

Share Document