Single-site catalysts for CO<sub>2</sub> electroreduction

Huang, Wenzhong; Zhu, Jiexin; Liu, Shanlin; Zhang, Wei; Zhou, Liang; Mai, Liqiang

doi:10.1039/d3ey00063j

Cited by 3 publications

(1 citation statement)

References 142 publications

(181 reference statements)

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“…Taking advantage of the CCM method, we propose the incorporation of recently spotlighted single-atom catalysts (SACs) into CCM–MEA. In recent years, the field of SACs has witnessed significant advancements in various electrochemical reactions such as the hydrogen evolution reaction (HER), 43–46 the oxygen evolution reaction (OER), 29,47–49 the carbon dioxide reduction reaction (CO 2 RR), 50–55 the oxygen reduction reaction (ORR), 56–58 the nitrogen reduction reaction (NRR), 59–61 and the chlorine evolution reaction (ClER). 62,63 In addition, SACs have been developed in the field of photoelectrochemical, 47,64–73 and photocatalytic 74–81 water splitting, and organic synthesis.…”

Section: Introductionmentioning

confidence: 99%

Single atom catalysts for water electrolysis: from catalyst-coated substrate to catalyst-coated membrane

Lee,

Jun,

Park

et al. 2024

EES. Catal.

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Section: Introductionmentioning

confidence: 99%

Single atom catalysts for water electrolysis: from catalyst-coated substrate to catalyst-coated membrane

Lee,

Jun,

Park

et al. 2024

EES. Catal.

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Unlocking Performance: The Transformative Influence of Single Atom Catalysts on Advanced Lithium‐Sulfur Battery Design

Maiti,

Curnan,

Kim

et al. 2024

Advanced Energy Materials

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Theoretically, lithium–sulfur (Li‐S) batteries are highly promising candidates for renewable energy applications, given their scalable energy density and low cost. However, their current practical performance is limited below theoretical expectations, despite attempts to accommodate volumetric expansion and improve electrical conductivity with porous S‐anchoring supports. Battery performance is primarily rate‐limited by the sluggish redox and conversion reaction kinetics of lithium polysulfides (LiPS), which respectively transform into lithium sulfide (Li2S) and elemental S through charging and discharging galvanostatic cycles. Given their strong electrocatalytic performance and other pertinent benefits, recent research highlights single‐atom catalysts (SACs) as candidates for enhancing Li‐S batteries. Thus, this review summarizes contemporary advancements regarding SAC implementation in Li‐S batteries, primarily emphasizing catalyst morphology, battery performance, and mechanistic elucidation. More specifically, separators and cathodes can be engineered via SACs to better anchor LiPS and improve their reductive kinetics, thereby inhibiting the “shuttle effect” known to impact Li‐S batteries. In addition, SACs can be modulated with functional groups to synergistically improve performance, enabling higher S loadings and redistributing transferred charge. Overall, SACs conspicuously boost Li‐S battery performance, justifying further research toward their implementation in Li‐S batteries.

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CoTCNQ as a Catalyst for CO₂ Electroreduction: A First Principles r²SCAN Meta‐GGA Investigation

Conquest,

Jiang,

Stampfl

2024

J Comput Chem

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Using first principles calculations we investigate cobalt‐coordinated tetracyanoquinodimethane (R‐CoTCNQ) as a potential catalyst for the CO2 electroreduction reaction (CO2ERR). We determine that exchange–correlation functionals beyond the generalized gradient approximation (GGA) are required to accurately describe the spin properties of R‐CoTCNQ, therefore, the meta‐GGA r2SCAN functional is used in this study. The free energy CO2ERR reaction pathways are calculated for the reduced catalyst ([R‐CoTCNQ]−1e) with reaction products HCOOH and HCHO predicted depending on our choice of electrode potential. Calculations are also performed for [R‐CoTCNQ]−1e supported on a H‐terminated diamond (1 1 0) surface with reaction pathways being qualitatively similar to the [R‐CoTCNQ]−1e monolayer. The inclusion of boron‐doping in the diamond support shows a slightly improved CO2ERR reaction pathway. Furthermore, structurally, supported R‐CoTCNQ provide a high specific area of active Co active sites and could be promising catalysts for future experimental consideration.

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Single-site catalysts for CO₂ electroreduction

Abstract: The use of electrocatalytic carbon dioxide reduction (ECR) for producing various high-value-added products is critical for achieving carbon neutrality. In the past decades, single-site catalysts (SSCs), such as single-atom catalysts,...

Cited by 3 publications

References 142 publications

Single atom catalysts for water electrolysis: from catalyst-coated substrate to catalyst-coated membrane

Single atom catalysts for water electrolysis: from catalyst-coated substrate to catalyst-coated membrane

Unlocking Performance: The Transformative Influence of Single Atom Catalysts on Advanced Lithium‐Sulfur Battery Design

CoTCNQ as a Catalyst for CO₂ Electroreduction: A First Principles r²SCAN Meta‐GGA Investigation

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Single-site catalysts for CO2 electroreduction

Abstract: The use of electrocatalytic carbon dioxide reduction (ECR) for producing various high-value-added products is critical for achieving carbon neutrality. In the past decades, single-site catalysts (SSCs), such as single-atom catalysts,...

Cited by 3 publications

References 142 publications

Single atom catalysts for water electrolysis: from catalyst-coated substrate to catalyst-coated membrane

Single atom catalysts for water electrolysis: from catalyst-coated substrate to catalyst-coated membrane

Unlocking Performance: The Transformative Influence of Single Atom Catalysts on Advanced Lithium‐Sulfur Battery Design

CoTCNQ as a Catalyst for CO2 Electroreduction: A First Principles r2SCAN Meta‐GGA Investigation

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Product

Resources

About

Single-site catalysts for CO₂ electroreduction

CoTCNQ as a Catalyst for CO₂ Electroreduction: A First Principles r²SCAN Meta‐GGA Investigation