Recent Advances in Phosphorus‐Coordinated Transition Metal Single‐Atom Catalysts for Oxygen Reduction Reaction

ChemNanoMat ◽  
2020 ◽  
Vol 6 (11) ◽  
pp. 1601-1610
Author(s):  
Fengzhi Ning ◽  
Xin Wan ◽  
Xiaofang Liu ◽  
Ronghai Yu ◽  
Jianglan Shui
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Recent Advances

Computational screening of efficient graphene-supported transition metal single atom catalysts toward the oxygen reduction reaction

2020 ◽  
Vol 8 (37) ◽  
pp. 19319-19327 ◽  
Author(s):  
Lei Li ◽  
Rao Huang ◽  
Xinrui Cao ◽  
Yuhua Wen
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Single Atom ◽  
Nitrogen Doped ◽  
Single Atoms ◽  
Computational Screening ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Transition metal single atoms anchored on nitrogen-doped graphene toward the oxygen reduction reaction have been screened.

scholarly journals Recent Advances in Single-Atom Electrocatalysts for Oxygen Reduction Reaction

Research ◽  
2020 ◽  
Vol 2020 ◽  
pp. 1-51 ◽  
Author(s):  
Junxing Han ◽  
Juanjuan Bian ◽  
Chunwen Sun
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Noble Metal ◽  
Active Sites ◽  
Reduction Reaction ◽  
Metal Catalysts ◽  
Single Atom ◽  
Noble Metal Catalysts ◽  
Recent Advances ◽  
Platinum Group

Oxygen reduction reaction (ORR) plays significant roles in electrochemical energy storage and conversion systems as well as clean synthesis of fine chemicals. However, the ORR process shows sluggish kinetics and requires platinum-group noble metal catalysts to accelerate the reaction. The high cost, rare reservation, and unsatisfied durability significantly impede large-scale commercialization of platinum-based catalysts. Single-atom electrocatalysts (SAECs) featuring with well-defined structure, high intrinsic activity, and maximum atom efficiency have emerged as a novel field in electrocatalytic science since it is promising to substitute expensive platinum-group noble metal catalysts. However, finely fabricating SAECs with uniform and highly dense active sites, fully maximizing the utilization efficiency of active sites, and maintaining the atomically isolated sites as single-atom centers under harsh electrocatalytic conditions remain urgent challenges. In this review, we summarized recent advances of SAECs in synthesis, characterization, oxygen reduction reaction (ORR) performance, and applications in ORR-related H2O2 production, metal-air batteries, and low-temperature fuel cells. Relevant progress on tailoring the coordination structure of isolated metal centers by doping other metals or ligands, enriching the concentration of single-atom sites by increasing metal loadings, and engineering the porosity and electronic structure of the support by optimizing the mass and electron transport are also reviewed. Moreover, general strategies to synthesize SAECs with high metal loadings on practical scale are highlighted, the deep learning algorithm for rational design of SAECs is introduced, and theoretical understanding of active-site structures of SAECs is discussed as well. Perspectives on future directions and remaining challenges of SAECs are presented.

Activating Transition Metal Dichalcogenides Monolayers as Efficient Electrocatalysts for Oxygen Reduction Reaction via Single Atom Doping

2021 ◽  
Author(s):  
Shufang Tian ◽  
Qing Tang
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Catalytic Properties ◽  
Transition Metal Dichalcogenides ◽  
Reduction Reaction ◽  
Single Atom ◽  
Metal Dichalcogenides

Recent studies in 2D transition-metal-dichalcogenides (TMDs) for electrocatalytic applications have mainly concentrated on MoS2, while the catalytic properties of the majority of TMDs with other metal compositions remain uncovered. This...

Computational screening for high-activity MoS2 monolayer-based catalysts for the oxygen reduction reaction via substitutional doping with transition metal

2017 ◽  
Vol 5 (20) ◽  
pp. 9842-9851 ◽  
Author(s):  
Zhongxu Wang ◽  
Jingxiang Zhao ◽  
Qinghai Cai ◽  
Fengyu Li
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
High Activity ◽  
High Efficiency ◽  
Reduction Reaction ◽  
Single Atom ◽  
Mos2 Monolayer ◽  
Substitutional Doping ◽  
Computational Screening

By means of DFT computations we have proposed that Cu-doped MoS2 monolayer is a promising single-atom-catalyst with high efficiency for the ORR.

scholarly journals Fabricating high-loading Fe-N4 single-atom catalysts for oxygen reduction reaction by carbon-assisted pyrolysis of metal complexes

2021 ◽  
Vol 42 (5) ◽  
pp. 753-761
Author(s):  
Jun-Sheng Jiang ◽  
He-Lei Wei ◽  
Ai-Dong Tan ◽  
Rui Si ◽  
Wei-De Zhang ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Metal Complexes ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
High Loading ◽  
Single Atom

scholarly journals Probing the activity of transition metal M and heteroatom N4 co-doped in vacancy fullerene (M–N4–C64, M = Fe, Co, and Ni) towards the oxygen reduction reaction by density functional theory

RSC Advances ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 3174-3182
Author(s):  
Siwei Yang ◽  
Chaoyu Zhao ◽  
Ruxin Qu ◽  
Yaxuan Cheng ◽  
Huiling Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Density Functional ◽  
Reduction Reaction ◽  
Functional Theory ◽  
Co Doped

In this study, a novel type oxygen reduction reaction (ORR) electrocatalyst is explored using density functional theory (DFT); the catalyst consists of transition metal M and heteroatom N4 co-doped in vacancy fullerene (M–N4–C64, M = Fe, Co, and Ni).

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