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.

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.

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

Binary transition metal nitrides with enhanced activity and durability for the oxygen reduction reaction

2015 ◽  
Vol 3 (32) ◽  
pp. 16801-16809 ◽  
Author(s):  
Xinlong Tian ◽  
Junming Luo ◽  
Haoxiong Nan ◽  
Zhiyong Fu ◽  
Jianhuang Zeng ◽  
...  
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
High Activity ◽  
Reduction Reaction ◽  
Alkaline Media ◽  
Metal Nitrides ◽  
Transition Metal Nitrides ◽  
Enhanced Activity

Binary transition metal nitrides demonstrate high activity and stability/durability for the oxygen reduction reaction in both acid and alkaline media.

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...

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