scholarly journals The Role of Structured Carbon in Downsized Transition Metal-Based Electrocatalysts toward a Green Nitrogen Fixation

Catalysts ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1529
Author(s):  
Marcello Ferrara ◽  
Michele Melchionna ◽  
Paolo Fornasiero ◽  
Manuela Bevilacqua

Electrocatalytic Nitrogen Reduction Reaction (NRR) to ammonia is one of the most recent trends of research in heterogeneous catalysis for sustainability. The stark challenges posed by the NRR arise from many factors, beyond the strongly unfavored thermodynamics. The design of efficient heterogeneous electrocatalysts must rely on a suitable interplay of different components, so that the majority of research is focusing on development of nanohybrids or nanocomposites that synergistically harness the NRR sequence. Nanostructured carbon is one of the most versatile and powerful conductive supports that can be combined with metal species in an opportune manner, so as to guide the correct proceeding of the reaction and boost the catalytic activity.

2020 ◽  
Vol 22 (25) ◽  
pp. 13981-13988 ◽  
Author(s):  
Yao Tan ◽  
Ying Xu ◽  
Zhimin Ao

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.


Catalysts ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 974
Author(s):  
Bing Han ◽  
Haihong Meng ◽  
Fengyu Li ◽  
Jingxiang Zhao

Under the current double challenge of energy and the environment, an effective nitrogen reduction reaction (NRR) has become a very urgent need. However, the largest production of ammonia gas today is carried out by the Haber–Bosch process, which has many disadvantages, among which energy consumption and air pollution are typical. As the best alternative procedure, electrochemistry has received extensive attention. In this paper, a catalyst loaded with Fe3 clusters on the two-dimensional material C2N (Fe3@C2N) is proposed to achieve effective electrochemical NRR, and our first-principles calculations reveal that the stable Fe3@C2N exhibits excellent catalytic performance for electrochemical nitrogen fixation with a limiting potential of 0.57 eV, while also suppressing the major competing hydrogen evolution reaction. Our findings will open a new door for the development of non-precious single-cluster catalysts for effective nitrogen reduction reactions.


2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.


Author(s):  
Xiaolin Wang ◽  
Li-Ming Yang

We for the first time report the discovery of a series of highly efficient electrocatalysts, i.e., transition metal anchored N/O-codoped graphene, for nitrogen fixation via high-throughput screening combined with first-principles...


Author(s):  
Xu Hu ◽  
Sai Yao ◽  
Letian Chen ◽  
Xu Zhang ◽  
Menggai Jiao ◽  
...  

Electrochemical CO2 reduction reaction (CO2RR) is a very important approach to realize sustainable development. Single-atom catalysts show advantages in both homogeneous and heterogeneous catalysis, and considerable progress has been made...


2020 ◽  
Vol 7 (19) ◽  
pp. 3609-3619
Author(s):  
Zengyao Wang ◽  
Jianfeng Shen ◽  
Wenzhi Fu ◽  
Jiangwen Liao ◽  
Juncai Dong ◽  
...  

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.


2020 ◽  
Vol 1 (5) ◽  
pp. 1285-1292 ◽  
Author(s):  
Yiran Ying ◽  
Ke Fan ◽  
Xin Luo ◽  
Jinli Qiao ◽  
Haitao Huang

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


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