A novel phosphotungstic acid-supported single metal atom catalyst with high activity and selectivity for the synthesis of NH3 from electrochemical N2 reduction: a DFT prediction

2019 ◽  
Vol 7 (34) ◽  
pp. 19838-19845 ◽  
Author(s):  
Liye Gao ◽  
Feiteng Wang ◽  
Ming-an Yu ◽  
Fenfei Wei ◽  
Jiamin Qi ◽  
...  
Keyword(s):  
High Activity ◽  
Metal Atom ◽  
High Selectivity ◽  
Phosphotungstic Acid ◽  
Reduction Reaction ◽  
Nitrogen Reduction

A phosphotungstic acid-supported single metal atom is a potential electrocatalyst for the nitrogen reduction reaction with high activity and high selectivity.

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

High-throughput screening of single metal atom anchored on N-doped boron phosphide for N2 reduction

Nanoscale ◽  
2021 ◽  
Author(s):  
Yibo Chen ◽  
Xinyu Zhang ◽  
Jiaqian Qin ◽  
Riping Liu
Keyword(s):  
Metal Atom ◽  
High Throughput ◽  
High Throughput Screening ◽  
Reduction Reaction ◽  
Ambient Condition ◽  
Nitrogen Reduction ◽  
Bosch Process ◽  
Highly Efficient ◽  
Boron Phosphide

Developing eco-friendly and highly-efficient catalysts for electrochemical nitrogen reduction reaction (NRR) under ambient condition to replace the energy-intensive and environment-polluting Haber-Bosch process is of great significance while remaining a long...

Single Metal Atom Anchored on CN monolayer as an Excellent Electrocatalyst for the Nitrogen Reduction Reaction

2021 ◽  
Author(s):  
Zhaoqin Chu ◽  
Xuxin Kang ◽  
Xiangmei Duan
Keyword(s):  
Metal Atom ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
First Principles Calculations ◽  
Nitrogen Reduction ◽  
Metal Atoms

Based on the first-principles calculations, we have studied the behavior of single-atom catalysts formed by a series of single metal atoms (From Ti to Cu) and CN monolayer in nitrogen...

Theoretical insights on Au‐based bimetallic alloy electrocatalysts for nitrogen reduction reaction with high selectivity and activity

ChemSusChem ◽  
2021 ◽  
Author(s):  
Jun-Lin Shi ◽  
Shi-Qin Xiang ◽  
Dai-Jian Su ◽  
Xiaohong Liu ◽  
Wei Zhang ◽  
...  
Keyword(s):  
High Selectivity ◽  
Reduction Reaction ◽  
Nitrogen Reduction ◽  
Bimetallic Alloy

Nitrogen fixation on a single Mo atom embedded stanene monolayer: a computational study

2020 ◽  
Vol 22 (25) ◽  
pp. 13981-13988 ◽  
Author(s):  
Yao Tan ◽  
Ying Xu ◽  
Zhimin Ao
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
Metal Atom ◽  
First Principles ◽  
Computational Study ◽  
Reduction Reaction ◽  
Transition Metal Atom ◽  
First Principles Calculations ◽  
Nitrogen Reduction ◽  
Effective Catalyst

In this work, we explored the feasibility of transition metal atom embedded stanene as an effective catalyst for the nitrogen reduction reaction (NRR) based on first-principles calculations.

Constructing electron-rich interface over Sb/Nb2CTx-MXene heterojunction for enhanced electrocatalytic nitrogen reduction

2021 ◽  
Author(s):  
Xingchuan Li ◽  
Yaojing Luo ◽  
Qing-qing Li ◽  
Ya-li Guo ◽  
Ke Chu
Keyword(s):  
High Activity ◽  
Reduction Reaction ◽  
Dinitrogen Fixation ◽  
Great Promise ◽  
Sustainable Technology ◽  
Nitrogen Reduction

Electrocatalytic dinitrogen fixation holds great promise as a sustainable technology for future NH3 synthesis, while developing electrocatalysts for the nitrogen reduction reaction (NRR) with high activity and selectivity is highly...

Catalytic Mechanism and Design Principle of Coordinately Unsaturated Single Metal Atom-Doped Covalent Triazine Frameworks with High Activity and Selectivity for CO2 Electroreduction

2021 ◽  
Author(s):  
Lele Gong ◽  
Xiaowei Wang ◽  
Tao Zheng ◽  
Jerry Liu ◽  
Jie Wang ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
High Activity ◽  
Metal Atom ◽  
Design Principle ◽  
High Selectivity ◽  
Catalytic Mechanism ◽  
Direct Conversion ◽  
Greenhouse Emissions ◽  
Co2 Electroreduction ◽  
Carbon Dioxide Co2

Direct conversion of carbon dioxide (CO2) to chemicals or fuels can mitigate greenhouse emissions and reduce dependence on petrochemicals, but experimentally finding an electrocatalyst with high selectivity for desired final...

Vanadium-Doped NiS2 Porous Nanosphere with High Selectivity and Stability for Electroreduction of Nitrogen to Ammonia

2021 ◽  
Author(s):  
Mingzhu Zhao ◽  
Chengying Guo ◽  
Lingfeng Gao ◽  
Xuan Kuang ◽  
Hua Yang ◽  
...  
Keyword(s):  
High Purity ◽  
High Selectivity ◽  
Reduction Reaction ◽  
Nitrogen Reduction ◽  
Bosch Process

In comparison with the traditional Harber-Bosch process, the electrocatalytic nitrogen reduction reaction (NRR) with high purity and sustainability became a popular process to satisfy the demand of ammonia. However, the...

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