Deciphering NH3 Adsorption Kinetics in Ternary Ni–Cu–Fe Oxyhydroxide toward Efficient Ammonia Oxidation Reaction. Issue 7 (27th January 2021)

• Record Type: Journal Article
• Authors: Zhu, Mingke; Yang, Yi; Xi, Shibo; Diao, Caozheng; Yu, Zhigen; Lee, Wee Siang Vincent; Xue, Junmin
• Is Part Of: Small. Volume 17:Issue 7(2021)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2021-01-27
• Subjects: ammonia -- DFT simulation -- electrooxidation -- Ni–Cu–Fe ternary electrode; Nanotechnology -- Periodicals; Nanoparticles -- Periodicals; Microtechnology -- Periodicals; 620.5
• DOI: 10.1002/smll.202005616
• Languages: English
• ISSNs: 1613-6810

Abstract

Abstract: Developing efficient catalysts for the ammonia oxidation reaction (AOR) is crucial for NH3 utilization as a large‐scale energy carrier. This work reports a promising Ni–Cu–Fe–OOH material for ammonia oxidation, and density functional theory is used to investigate the AOR mechanism. It is revealed that the oxygen‐atoms bonded with the metal‐atom on the surface of electrode play an important role in AOR. By codoping Cu and Fe, the electron distribution around the oxygen‐atom is affected, which helps to promote the occurrence of ammonia oxidation. The Ni–Cu–Fe–OOH material delivers one of the highest ammonia removal efficiency to date of ≈90% after 12 h. In addition, ≈55% of the initial ammonia is successfully degraded after 24 h in high ammonia concentration. Thus, this work reveals the mechanism of AOR that can provide new ideas to tailor more powerful and updated catalysts in the future. Abstract : The paper reports a Ni–Cu–Fe–OOH ternary electrode material for efficient ammonia electrooxidation. The density functional theory calculations determine the mechanism and path of ammonia decomposition, and show that the electron density around OO–Ni is affected by dopants. A 90% NH3 removal efficiency is achieved using Ni–Cu–Fe–OOH ternary electrode. The electrode material can operate under harsh conditions.