Taming the challenges of activity and selectivity in catalysts for electrochemical N2 fixation via single metal atom supported on WS2

2022 ◽  
Vol 571 ◽  
pp. 151357
Author(s):  
Yibo Chen ◽  
Xinyu Zhang ◽  
Jiaqian Qin ◽  
Riping Liu
Keyword(s):  
2018 ◽  
Vol 6 (38) ◽  
pp. 18599-18604 ◽  
Author(s):  
Xu Zhang ◽  
An Chen ◽  
Zihe Zhang ◽  
Zhen Zhou

By first-principles computations, we investigated the electrocatalysis of transition metal atom-anchored C2N monolayers (TMx@C2N, x = 1 or 2) for N2 fixation and proposed that Mo2@C2N is a promising electrocatalyst for the reduction of N2 to NH3.


Agronomie ◽  
2001 ◽  
Vol 21 (6-7) ◽  
pp. 653-657 ◽  
Author(s):  
Thomas R. Sinclair ◽  
Larry C. Purcell ◽  
Vincent Vadez ◽  
Rachid Serraj
Keyword(s):  

Doklady BGUIR ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 87-95
Author(s):  
M. S. Baranava ◽  
P. A. Praskurava

The search for fundamental physical laws which lead to stable high-temperature ferromagnetism is an urgent task. In addition to the already synthesized two-dimensional materials, there remains a wide list of possible structures, the stability of which is predicted theoretically. The article suggests the results of studying the electronic properties of MAX3 (M = Cr, Fe, A = Ge, Si, X = S, Se, Te) transition metals based compounds with nanostructured magnetism. The research was carried out using quantum mechanical simulation in specialized VASP software and calculations within the Heisenberg model. The ground magnetic states of twodimensional MAX3 and the corresponding energy band structures are determined. We found that among the systems under study, CrGeTe3 is a semiconductor nanosized ferromagnet. In addition, one is a semiconductor with a bandgap of 0.35 eV. Other materials are antiferromagnetic. The magnetic moment in MAX3 is localized on the transition metal atoms: in particular, the main one on the d-orbital of the transition metal atom (and only a small part on the p-orbital of the chalcogen). For CrGeTe3, the exchange interaction integral is calculated. The mechanisms of the formation of magnetic order was established. According to the obtained exchange interaction integrals, a strong ferromagnetic order is formed in the semiconductor plane. The distribution of the projection density of electronic states indicates hybridization between the d-orbital of the transition metal atom and the p-orbital of the chalcogen. The study revealed that the exchange interaction by the mechanism of superexchange is more probabilistic.


Crop Science ◽  
1985 ◽  
Vol 25 (4) ◽  
pp. 660-663 ◽  
Author(s):  
E. L. Pulver ◽  
E. A. Kueneman ◽  
V. Ranga‐Rao
Keyword(s):  

2021 ◽  
Vol 143 (35) ◽  
pp. 14169-14177
Author(s):  
Changchun Ye ◽  
Juzhe Liu ◽  
Qinghua Zhang ◽  
Xiaojing Jin ◽  
Yun Zhao ◽  
...  

2021 ◽  
Vol 149 ◽  
pp. 112008
Author(s):  
Khalil Ahmad ◽  
Habib-ur-Rehman Shah ◽  
Muhammad Ashfaq ◽  
Syed Shoaib Ahmad Shah ◽  
Ejaz Hussain ◽  
...  

2021 ◽  
Vol 22 (11) ◽  
pp. 5628
Author(s):  
Valquíria Campos Alencar ◽  
Juliana de Fátima dos Santos Silva ◽  
Renata Ozelami Vilas Boas ◽  
Vinícius Manganaro Farnézio ◽  
Yara N. L. F. de Maria ◽  
...  

Autoinducer 2 (or AI-2) is one of the molecules used by bacteria to trigger the Quorum Sensing (QS) response, which activates expression of genes involved in a series of alternative mechanisms, when cells reach high population densities (including bioluminescence, motility, biofilm formation, stress resistance, and production of public goods, or pathogenicity factors, among others). Contrary to most autoinducers, AI-2 can induce QS responses in both Gram-negative and Gram-positive bacteria, and has been suggested to constitute a trans-specific system of bacterial communication, capable of affecting even bacteria that cannot produce this autoinducer. In this work, we demonstrate that the ethanologenic Gram-negative bacterium Zymomonas mobilis (a non-AI-2 producer) responds to exogenous AI-2 by modulating expression of genes involved in mechanisms typically associated with QS in other bacteria, such as motility, DNA repair, and nitrogen fixation. Interestingly, the metabolism of AI-2-induced Z. mobilis cells seems to favor ethanol production over biomass accumulation, probably as an adaptation to the high-energy demand of N2 fixation. This opens the possibility of employing AI-2 during the industrial production of second-generation ethanol, as a way to boost N2 fixation by these bacteria, which could reduce costs associated with the use of nitrogen-based fertilizers, without compromising ethanol production in industrial plants.


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