Density functional study on the mechanism for the highly active palladium monolayer supported on titanium carbide for the oxygen reduction reaction

2016 ◽  
Vol 144 (20) ◽  
pp. 204703 ◽  
Author(s):  
Jianjun Mao ◽  
Shasha Li ◽  
Yanxing Zhang ◽  
Xingli Chu ◽  
Zongxian Yang
Keyword(s):  
Titanium Carbide ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Density Functional ◽  
Reduction Reaction ◽  
Functional Study ◽  
Density Functional Study ◽  
Highly Active

A density functional study on the oxygen reduction reaction mechanism on FeN2-doped graphene

2018 ◽  
Vol 42 (9) ◽  
pp. 6873-6879 ◽  
Author(s):  
Yuewen Yang ◽  
Kai Li ◽  
Yanan Meng ◽  
Ying Wang ◽  
Zhijian Wu
Keyword(s):  
Reaction Mechanism ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Density Functional ◽  
Rational Design ◽  
Reduction Reaction ◽  
Functional Study ◽  
Highly Active ◽  
Doped Graphene ◽  
Commercial Applications

The rational design of heteroatom doped graphene as a highly active and non-noble oxygen reduction reaction (ORR) electrocatalyst is significant for the commercial applications of fuel cells.

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).

Metal‐Nitrogen‐Carbon Cluster Decorated Titanium Carbide is a Durable and Inexpensive Oxygen Reduction Reaction Electrocatalyst

ChemSusChem ◽  
2021 ◽  
Author(s):  
Sung Beom Cho ◽  
Cheng He ◽  
Shrihari in Sankarasubramanian ◽  
Arashdeep Singh Thind ◽  
Javier Parrondo ◽  
...  
Keyword(s):  
Titanium Carbide ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Carbon Cluster ◽  
Reduction Reaction

Theoretical Modelling and Facile Synthesis of a Highly Active Boron-Doped Palladium Catalyst for the Oxygen Reduction Reaction

2016 ◽  
Vol 55 (24) ◽  
pp. 6842-6847 ◽  
Author(s):  
Tat Thang Vo Doan ◽  
Jingbo Wang ◽  
Kee Chun Poon ◽  
Desmond C. L. Tan ◽  
Bahareh Khezri ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Palladium Catalyst ◽  
Reduction Reaction ◽  
Theoretical Modelling ◽  
Facile Synthesis ◽  
Highly Active ◽  
Boron Doped

Tunable mesoporous manganese oxide for high performance oxygen reduction and evolution reactions

2016 ◽  
Vol 4 (2) ◽  
pp. 620-631 ◽  
Author(s):  
Islam M. Mosa ◽  
Sourav Biswas ◽  
Abdelhamid M. El-Sawy ◽  
Venkatesh Botu ◽  
Curtis Guild ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Manganese Oxide ◽  
Oxygen Reduction ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
High Performance ◽  
Reduction Reaction ◽  
Noble Metal Catalysts ◽  
Highly Active ◽  
State Of Art

Understanding the origin of manganese oxide activity for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) is a key step towards rationally designing of highly active catalysts capable of competing with the widely used, state-of-art noble metal catalysts.

Hollow PtCo Nanowires with Rough Surfaces as Highly Active Electrocatalysts for Oxygen Reduction Reaction

2021 ◽  
Vol 6 (22) ◽  
pp. 5399-5405
Author(s):  
Jincheng Wang ◽  
Chuang Li ◽  
Wenjun Zhu ◽  
Jipeng Meng ◽  
Changhai Liang
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Rough Surfaces ◽  
Reduction Reaction ◽  
Highly Active
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