Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction

Xiao, Beibei; Liu, Houyi; Yang, Lei; Song, Erhong; Jiang, Xiaobao; Jiang, Qing

doi:10.1021/acsaem.9b01457

Cited by 26 publications

(6 citation statements)

References 65 publications

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“…The search for environmentally friendly and efficient energy-conversion and storage systems, such as proton-exchange membrane fuel cells and metal–air cells, is a hot spot of current research. , However, the low efficiency caused by intrinsic sluggish kinetics of the oxygen reduction reaction (ORR) on the cathode is a huge obstacle to the commercialization of such devices . Although Pt-based metal catalysts are usually considered as the most efficient catalysts to speed up the reaction kinetics, whereas their scarcity, excessive cost, and inferior stability have tremendously hindered the scale-up applications. , Hence, it is highly desirable to design and explore highly efficient and low-cost alternatives toward ORR, especially non-noble-metal electrocatalysts.…”

Section: Introductionmentioning

confidence: 99%

Fe/Fe₃C-NC Nanosheet/Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction Reaction

Huang

et al. 2020

ACS Appl. Nano Mater.

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The construction of active and durable electrocatalysts based on a high abundance of elements toward oxygen reduction reaction (ORR) is critical for proton-exchange membrane fuel cells and metal–air batteries. Here, a composite nanostructure composed of Fe/Fe3C-NC nanosheets and carbon nanotubes (G-Fe/Fe3C-NC/CNTs) was designed by simply annealing a glucose-chelated Fe-coordinated metal–organic frameworks. The introduction of glucose can not only effectively prevent the collapse of the initial two-dimensional (2D) leaflike zeolitic imidazolate frameworks (ZIFs) during the carbonization process but also boost the growth of carbon nanotubes (CNTs). Benefiting from efficient Fe/Fe3C and Fe–N x moieties, high specific surface area, and electron-conducting highways provided by the unique composite structure, the obtained G-Fe/Fe3C-NC/CNTs electrocatalysts achieved an impressive ORR activity with a higher positive onset potential of 1.02 V and half-wave potential of 0.87 V over the commercial Pt/C. Significantly, it also exhibits outstanding stability after 6000 cyclic voltammogram (CV) cycles with nearly negligible decay in half-wave potential, which makes it one of the promising Pt-free catalysts for ORR.

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Section: Introductionmentioning

confidence: 99%

Fe/Fe₃C-NC Nanosheet/Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction Reaction

Huang

et al. 2020

ACS Appl. Nano Mater.

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“…The d-band center (ε d ) has been widely used to describe the binding strength of different species on the catalyst surface. , Therefore, ε d values of Mn atom on the pristine and B-site metal-doped LMO catalyst surfaces are calculated to evaluate the oxidation performance (Figure a). A higher ε d value of metal atoms means a more outstanding performance of the corresponding catalyst.…”

Section: Results and Discussionmentioning

confidence: 99%

HCOOH Electrosynthesis via Coelectrolytic Processes of CO₂ Reduction and CH₃OH Oxidation

2022

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Electrochemical coconversion of CO 2 at the cathode and CH 3 OH at the anode to produce HCOOH provides a sustainable route for low-cost HCOOH production and efficient utilization of CO 2 . Catalysts play an important role in electrochemical reactions. However, there are still few efficient matched catalysts for CH 3 OH oxidation to HCOOH and CO 2 reduction to HCOOH (CO 2 RR-to-HCOOH). Herein, metal-doped LaMnO 3 (Ag-LMO, Sn-LMO, and Sr-LMO) for CH 3 OH oxidation to produce HCOOH at the anode and Cu−M (M = Pd, Pb, Bi, Sn, and In) bimetal catalysts for CO 2 RR-to-HCOOH at the cathode are exploited. The results indicate that metal-doped LaMnO 3 could directly facilitate CH 3 OH oxidation by reducing the overpotential. The B-site metal-doped effect is better than the A-site metaldoped effect on CH 3 OH oxidation. B-site metal-doped Ag-LMO exhibits a better CH 3 OH oxidation performance, which can reduce the ΔG PLS by 43.08% compared to LMO. Pb@Cu shows an excellent catalytic activity for CO 2 reduction to HCOOH. The overpotential is 0.08 V for CO 2 reduction to HCOOH. This study shed light on the application of Cu-based bimetal materials and La−Mn perovskites in the electrocatalytic field.

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“…All DFT calculations are carried out using DFT, as implemented in DMol3 code. 29,30 528 kinds of M 1 M 2 @Cu TMCs are chosen in this work, where M 1 and M 2 represent the metaldoped atoms. 31,32 The thickness of the vacuum space is set to 15 Å to simulate the electrocatalyst surface.…”

Section: Computational Details and Experimental Methodsmentioning

confidence: 99%

Machine Learning-Assisted Screening of Cu-Based Trimetallic Catalysts for Electrochemical Conversion of CO₂ to CO

Xiong,

Liu,

Yang

et al. 2023

Energy Fuels

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The electrochemical reduction of carbon dioxide to useful chemicals and fuels is a new strategy to utilize large amounts of carbon dioxide. However, the lack of efficient catalysts has hindered the development of this technology. Herein, a machine learning (ML)-assisted screening model is developed to explore efficient trimetallic electrocatalysts for the CO 2 reduction reaction by combining with density functional theory (DFT) and electrochemical experiments. The group of doped elements in the periodic table is the most important descriptor of Cu-based trimetallic electrocatalysts and the support vector regression algorithm has the best predictive performance. Based on ML predictions, the overpotential of PdPt@Cu is successfully predicted to be 0.11 V, and it shows the best electrocatalytic performance for the CO 2 reduction reaction (CO 2 RR). DFT calculation results show that CO 2 → COOH* is the potential-limiting step of CO 2 RR-to-CO for PdPt@Cu and its overpotential is 0.09 V, which is consistent with the ML-predicted results. The electrochemical experiments show that the Faraday efficiency of CO is 82.12% at −0.8 V vs RHE for PdPt@Cu. After 12 h of electrolysis in the H-cell, the catalyst still maintains good catalytic performance. This work provides an efficient method for screening catalysts.

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Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction

Cited by 26 publications

References 65 publications

Fe/Fe₃C-NC Nanosheet/Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction Reaction

Fe/Fe₃C-NC Nanosheet/Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction Reaction

HCOOH Electrosynthesis via Coelectrolytic Processes of CO₂ Reduction and CH₃OH Oxidation

Machine Learning-Assisted Screening of Cu-Based Trimetallic Catalysts for Electrochemical Conversion of CO₂ to CO

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Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction

Cited by 26 publications

References 65 publications

Fe/Fe3C-NC Nanosheet/Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction Reaction

Fe/Fe3C-NC Nanosheet/Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction Reaction

HCOOH Electrosynthesis via Coelectrolytic Processes of CO2 Reduction and CH3OH Oxidation

Machine Learning-Assisted Screening of Cu-Based Trimetallic Catalysts for Electrochemical Conversion of CO2 to CO

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Product

Resources

About

Fe/Fe₃C-NC Nanosheet/Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction Reaction

Fe/Fe₃C-NC Nanosheet/Carbon Nanotube Composite Electrocatalysts for Oxygen Reduction Reaction

HCOOH Electrosynthesis via Coelectrolytic Processes of CO₂ Reduction and CH₃OH Oxidation

Machine Learning-Assisted Screening of Cu-Based Trimetallic Catalysts for Electrochemical Conversion of CO₂ to CO