Metal Doped Nanostructures as Catalysts of Nitrogen Reduction to Ammonia

被引：0
作者：
Khalid Mujasam Batoo
Suhair Mohammad Husein Kamona
Kadhum Al-Majdi
Fadhil A. Rasen
Usama S. Altimari
Sajjad Hussain
Ayadh Al-khalidi
Adnan Hashim Abdulkadhim
Ashwaq Talib Kareem
Ahmed Alawadi
Ali Alsalamy
Rijuan Ma
机构：
[1] King Saud University,College of Science
[2] Al-Manara College for Medical Sciences,Department of Medical Laboratories Technology
[3] Ashur University College,Department of Biomedical Engineering
[4] Al-Esraa University College,Department of Medical Engineering
[5] AL-Nisour University College,Department of Medical Laboratories Technology
[6] Sejong University,Hybrid Materials Center (HMC)
[7] Sejong University,Department of Nanotechnology and Advanced Materials Engineering
[8] Al-Hadi University College,Department of Medical Engineering
[9] Al-Ayen University,Department of Computer Engineering, Technical Engineering College
[10] National University of Science and Technology,Department of Medical Engineering, College of Pharmacy
[11] The Islamic University,College of Technical Engineering
[12] The Islamic University of Al Diwaniyah,College of Technical Engineering
[13] The Islamic University of Babylon,College of Technical Engineering
[14] Imam Ja’afar Al‐Sadiq University,College of Technical Engineering
[15] Independent Researcher,undefined
来源：
Silicon | 2024年 / 16卷
关键词：
Ammonia; Nanostructures; Nano-catalyst; Nitrogen Reduction; Theoretical Chemistry; Mechanism;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Here, the catalytic activity of Mn-C48, Mn-Si48, Cu-C38, Cu-B19N19, Ni-C44, Ni-B22P22, Fe-C80, Fe-Al40P40 nanocages for N2-RR are investigated. The possible mechanisms of N2-RR on metal adsorbed nanocages are examined. The limiting step in distal, enzymatic and alternating pathways for N2-RR on metal adsorbed nanocages is metal-*NN → Metal-*NNH. The metal-*NN → Metal-*NNH is limiting step for N2-RR on metal adsorbed nanocages by mixed pathway. In distal and enzymatic pathways, the Metal-*NN → Metal-*NNH and Metal-*NNH2 → Metal-*N + NH3 are endothermic steps. In alternating and mixed pathways, the Metal-*NN → Metal-*NNH and Metal-*NH2NH2 → Metal-*NH2NH3 are endothermic steps. The Mn-Si48, Cu-B19N19, Ni-B22P22 and Fe-Al40P40 nanocages have higher catalytic activity than carbon nanocages for N2-RR. The over-potential for N2-RR on Fe-Al40P40 by studied pathways are 0.220, 0.230, 0.223 and 0.238 V. The Mn-Si48, Cu-B19N19, Ni-B22P22 and Fe-Al40P40 nanocages can be proposed as new catalysts for N2-RR to create the NH3 molecule.
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页码：1421 / 1431
页数：10
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