Transition Metal‐dinitrogen Complex Embedded Graphene for Nitrogen Reduction Reaction

ChemCatChem ◽  
2019 ◽  
Vol 11 (12) ◽  
pp. 2821-2827 ◽  
Author(s):  
Yulu Yang ◽  
Jiandong Liu ◽  
Zengxi Wei ◽  
Shuangyin Wang ◽  
Jianmin Ma
Keyword(s):  
Transition Metal ◽  
Reduction Reaction ◽  
Nitrogen Reduction ◽  
Dinitrogen Complex

Controlled oxygen vacancy engineering on In2O3−x/CeO2−y nanotubes for highly selective and efficient electrocatalytic nitrogen reduction

2020 ◽  
Vol 7 (19) ◽  
pp. 3609-3619
Author(s):  
Zengyao Wang ◽  
Jianfeng Shen ◽  
Wenzhi Fu ◽  
Jiangwen Liao ◽  
Juncai Dong ◽  
...  
Keyword(s):  
Transition Metal ◽  
Oxygen Vacancy ◽  
Metal Oxides ◽  
Transition Metal Oxides ◽  
Oxygen Vacancies ◽  
Reduction Reaction ◽  
Nitrogen Reduction

Introducing and adjusting the oxygen vacancies (VO) of transition metal oxides has been proposed as a significant and effective way to tackle the sluggish nitrogen reduction reaction (NRR) in the electrocatalysis process.

scholarly journals Transition metal-tetracyanoquinodimethane monolayers as single-atom catalysts for the electrocatalytic nitrogen reduction reaction

2020 ◽  
Vol 1 (5) ◽  
pp. 1285-1292 ◽  
Author(s):  
Yiran Ying ◽  
Ke Fan ◽  
Xin Luo ◽  
Jinli Qiao ◽  
Haitao Huang
Keyword(s):  
Transition Metal ◽  
Reduction Reaction ◽  
Single Atom ◽  
Nitrogen Reduction

Single Sc/Ti atoms supported on TCNQ monolayers have been explored as outstanding electrocatalysts for nitrogen reduction.

Double transition metal atoms anchored on Graphdiyne as promising catalyst for electrochemical nitrogen reduction reaction

2021 ◽  
Vol 77 ◽  
pp. 244-251
Author(s):  
Lakshitha Jasin Arachchige ◽  
Yongjun Xu ◽  
Zhongxu Dai ◽  
Xiao Li Zhang ◽  
Feng Wang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Reduction Reaction ◽  
Nitrogen Reduction ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Double Transition

Single Transition Metal Atom Anchored on VSe2 as Electrocatalyst for Nitrogen Reduction Reaction

2021 ◽  
pp. 152272
Author(s):  
Jiahui Wang ◽  
Zhifen Luo ◽  
Xicheng Zhang ◽  
Xian Zhang ◽  
Junqin Shi ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Atom ◽  
Reduction Reaction ◽  
Transition Metal Atom ◽  
Nitrogen Reduction ◽  
Single Transition

scholarly journals Transition Metal Oxynitrides Catalysts for Electrochemical Reduction of Nitrogen to Ammonia

2021 ◽  
Author(s):  
Damilola Ologunagba ◽  
Shyam Kattel
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Dft Calculations ◽  
Electrochemical Reduction ◽  
Density Functional ◽  
Reduction Reaction ◽  
Ambient Conditions ◽  
Functional Theory ◽  
Nitrogen Reduction ◽  
Bosch Process

Electrochemical nitrogen reduction reaction (ENRR) at ambient conditions is beneficial compared to energy intensive thermochemical Haber-Bosch process for NH3 production. Here, periodic density functional theory (DFT) calculations are carried out...

Density functional theory study of transition metal single-atoms anchored on graphyne as efficient electrocatalysts for the nitrogen reduction reaction

2021 ◽  
Author(s):  
Wei Song ◽  
Kun Xie ◽  
Jinlong Wang ◽  
Yongliang Guo ◽  
Chaozheng He ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Free Energy ◽  
Transition Metal ◽  
Density Functional ◽  
Reduction Reaction ◽  
Density Functional Theory Study ◽  
Free Energies ◽  
Functional Theory ◽  
Nitrogen Reduction ◽  
Single Atoms

(a) Screening results of TM@GY for the NRR based on the free energy changes of the first and last hydrogenation steps (ΔG(*N2 → *N2H) and ΔG(*NH2 → *NH3)), respectively. (b) The free energies for H and N2 adsorption on all the TM@GY.

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