Regulating the coordination structure of metal single atoms for efficient electrocatalytic CO<sub>2</sub> reduction

Wang, Yuchao; Liu, Yi; Liu, Wei; Wu, Jiao; Li, Qian; Feng, Qingguo; Chen, Zhiyan; Xiong, Xiang; Wang, Dingsheng; Lei, Yongpeng

doi:10.1039/d0ee02833a

Cited by 221 publications

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“…However, the CO 2 selective reduction to carbon monoxide (CO), which is considered as important raw material for hydrocarbons and alcohols productions by hydrogenation, is to be the closest to commercial utilization in the CO 2 RR [5] . Pd, Au and Ag‐based electrocatalysts have shown high catalytic activity and selectivity for the CO 2 RR to CO [2c–e,g, 3b] . Specially, Ag‐based catalysts have been widely studied in the CO 2 RR, due to its low‐cost and abundance when compared to Pd and Au [6–10] .…”

Section: Introductionmentioning

confidence: 99%

Silver Single‐Atom Catalyst for Efficient Electrochemical CO₂ Reduction Synthesized from Thermal Transformation and Surface Reconstruction

et al. 2021

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We report an Ag1 single‐atom catalyst (Ag1/MnO2), which was synthesized from thermal transformation of Ag nanoparticles (NPs) and surface reconstruction of MnO2. The evolution process of Ag NPs to single atoms is firstly revealed by various techniques, including in situ ETEM, in situ XRD and DFT calculations. The temperature‐induced surface reconstruction process from the MnO2 (211) to (310) lattice plane is critical to firmly confine the existing surface of Ag single atoms; that is, the thermal treatment and surface reconstruction of MnO2 is the driving force for the formation of single Ag atoms. The as‐obtained Ag1/MnO2 achieved 95.7 % Faradic efficiency at −0.85 V vs. RHE, and coupled with long‐term stability for electrochemical CO2 reduction reaction (CO2RR). DFT calculations indicated single Ag sites possessed high electronic density close to Fermi Level and could act exclusively as the active sites in the CO2RR. As a result, the Ag1/MnO2 catalyst demonstrated remarkable performance for the CO2RR, far surpassing the conventional Ag nanosized catalyst (AgNP/MnO2) and other reported Ag‐based catalysts.

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Section: Introductionmentioning

confidence: 99%

Silver Single‐Atom Catalyst for Efficient Electrochemical CO₂ Reduction Synthesized from Thermal Transformation and Surface Reconstruction

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“…We speculated that, as a self-supporting electrode, the Ni foam achieved close contact with the catalyst layer, which reduced the charge transfer resistance and enhanced the durability under large current densities [55]. Additionally, the three-dimensional porous structure increased the area of exposed active sites, hence boosting the catalytic activity [56]. Then, we designed a simple solar-driven water splitting system, which comprised a commercial Si solar plane (16 cm 2 ) and electrodes.…”

Section: Resultsmentioning

confidence: 99%

Highly efficient oxygen evolution and stable water splitting by coupling NiFe LDH with metal phosphides

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It is a great challenge to develop highly active oxygen evolution reaction (OER) electrocatalysts with superior durability. In this study, a NiFe layered double hydroxidedecorated phosphide (NiFe LDH@CoP/NiP 3 ) was constructed to display satisfactory OER activity and good stability for water splitting in alkaline media. At an overpotential of 300 mV, NiFe LDH@CoP/NiP 3 achieved a current density of 82 mA cm −2 for the OER, which was 9.1 and 2.3 times that of CoP/NiP 3 and NiFe LDH, respectively. Moreover, the reconstruction behavior, during which oxyhydroxides formed, was studied by a combination of X-ray photoelectron spectroscopy, Raman spectroscopy, and scanning electron microscopy. A synergistic effect between NiFe LDH and CoP/NiP 3 was also observed for the hydrogen evolution reaction. Furthermore, when NiFe LDH@CoP/NiP 3 acted as both the cathode and anode for overall water splitting, a high current density of 100 mA cm −2 was maintained for more than 275 h.In addition, under Xe light irradiation, a solar-to-hydrogen efficiency of 9.89% was achieved for solar-driven water splitting. This work presents the coupling of different active compositions, and can provide a reference for designing bifunctional electrocatalysts.

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“…Based on d‐band center theory and machine learning algorithms, the CO 2 reduction properties can be predicted in many cases. [ 130,131 ] However, developing new descriptors to accurately predict the CO 2 reduction properties with relatively low computational cost is still demanded. Gusarov et al.…”

Section: Machine Learning In Screening Co2 Reduction Electrocatalystsmentioning

confidence: 99%

Machine Learning in Screening High Performance Electrocatalysts for CO₂ Reduction

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Converting CO2 into carbon‐based fuels is promising for relieving the greenhouse gas effect and the energy crisis. However, the selectivity and efficiency of current electrocatalysts for CO2 reductions are still not satisfactory. In this paper, the development of machine learning methods in screening CO2 reduction electrocatalysts over the recent years is reviewed. Through high‐throughput calculation of some key descriptors such as adsorption energies, d‐band center, and coordination number by well‐constructed machine learning models, the catalytic activity, optimal composition, active sites, and CO2 reduction reaction pathway over various possible materials can be predicted and understood. Machine learning is now realized as a fast and low‐cost method to effectively explore high performance electrocatalysts for CO2 reduction.

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Regulating the coordination structure of metal single atoms for efficient electrocatalytic CO₂ reduction

Abstract: Electrochemical CO2 reduction reaction (CO2RR) to eliminate the excess CO2 and produce fuels/chemicals under mild conditions provides a sustainable way to maintain the carbon balance and alleviate the energy shortage....

Cited by 221 publications

References 138 publications

Silver Single‐Atom Catalyst for Efficient Electrochemical CO₂ Reduction Synthesized from Thermal Transformation and Surface Reconstruction

Silver Single‐Atom Catalyst for Efficient Electrochemical CO₂ Reduction Synthesized from Thermal Transformation and Surface Reconstruction

Highly efficient oxygen evolution and stable water splitting by coupling NiFe LDH with metal phosphides

Machine Learning in Screening High Performance Electrocatalysts for CO₂ Reduction

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Regulating the coordination structure of metal single atoms for efficient electrocatalytic CO2 reduction

Abstract: Electrochemical CO2 reduction reaction (CO2RR) to eliminate the excess CO2 and produce fuels/chemicals under mild conditions provides a sustainable way to maintain the carbon balance and alleviate the energy shortage....

Cited by 221 publications

References 138 publications

Silver Single‐Atom Catalyst for Efficient Electrochemical CO2 Reduction Synthesized from Thermal Transformation and Surface Reconstruction

Silver Single‐Atom Catalyst for Efficient Electrochemical CO2 Reduction Synthesized from Thermal Transformation and Surface Reconstruction

Highly efficient oxygen evolution and stable water splitting by coupling NiFe LDH with metal phosphides

Machine Learning in Screening High Performance Electrocatalysts for CO2 Reduction

Contact Info

Product

Resources

About

Regulating the coordination structure of metal single atoms for efficient electrocatalytic CO₂ reduction

Silver Single‐Atom Catalyst for Efficient Electrochemical CO₂ Reduction Synthesized from Thermal Transformation and Surface Reconstruction

Silver Single‐Atom Catalyst for Efficient Electrochemical CO₂ Reduction Synthesized from Thermal Transformation and Surface Reconstruction

Machine Learning in Screening High Performance Electrocatalysts for CO₂ Reduction