journal article·2024-05

A Metal Coordination Number Determined Catalytic Performance in Manganese Borides for Ambient Electrolysis of Nitrogen to Ammonia

Muhammad Asim Mushtaq, Anuj Kumar, Wei Liu, Qianqian Ji, Yonggui Deng, Ghulam Yasin, Ali Saad, Waseem Raza, Jie Zhao, Saira Ajmal, Yanyan Wu, Muhammad Ahmad, Najeeb ur Rehman Lashari, Yan Wang, Tingshuai Li, Shengjun Sun, Dongdong Zheng, Yongsong Luo, Xingke Cai, Xuping Sun

Advanced Materials· Volume 36· Issue 21
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Abstract

Abstract A new strategy that can effectively increase the nitrogen reduction reaction performance of catalysts is proposed and verified by tuning the coordination number of metal atoms. It is found that the intrinsic activity of Mn atoms in the manganese borides (MnBx) increases in tandem with their coordination number with B atoms. Electron‐deficient boron atoms are capable of accepting electrons from Mn atoms, which enhances the adsorption of N2 on the Mn catalytic sites (*) and the hydrogenation of N2 to form *NNH intermediates. Furthermore, the increase in coordination number reduces the charge density of Mn atoms at the Fermi level, which facilitates the desorption of ammonia from the catalyst surface. Notably, the MnB4 compound with a Mn coordination number of up to 12 exhibits a high ammonia yield rate (74.9 ± 2.1 µg h−1 mgcat−1) and Faradaic efficiency (38.5 ± 2.7%) at −0.3 V versus reversible hydrogen electrode (RHE) in a 0.1 m Li2SO4 electrolyte, exceeding those reported for other boron‐related catalysts.
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Research context

OpenAlex topics: Ammonia Synthesis and Nitrogen Reduction · Hydrogen Storage and Materials · Muon and positron interactions and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

College of Civil and Transportation Engineering Shenzhen University Shenzhen Guangdong 518060 China

Institute for Advanced Study Shenzhen University Shenzhen Guangdong 518060 China

Nano‐Technology Research Laboratory Department of Chemistry GLA University Mathura Uttar Pradesh 281406 India

Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China Chengdu Sichuan 610054 China

College of Chemistry Chemical Engineering and Materials Science Shandong Normal University Jinan Shandong 250014 China

Funding

National Natural Science Foundation of China · Basic and Applied Basic Research Foundation of Guangdong Province · Science, Technology and Innovation Commission of Shenzhen Municipality

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