期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 17, 期 7, 页码 4909-4918出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cp04838e
关键词
-
资金
- Icelandic Research Fund
- Nordic Energy Research by way of the Nordic Initiative for Solar Fuel Development
- Icelandic Student Innovation Fund
- Research Fund of the University of Iceland
Commercial design of a sustainable route for on-site production of ammonia represents a potential economic and environmental breakthrough. In an analogous process to the naturally occurring enzymatic mechanism, synthesis of ammonia could be achieved in an electrochemical cell, in which electricity would be used to reduce atmospheric nitrogen and water into ammonia at ambient conditions. To date, such a process has not been realized due to slow kinetics and low faradaic efficiencies. Although progress has been made in this regard, at present there exists no device that can produce ammonia efficiently from air and water at room temperature and ambient pressure. In this work, a scheme is presented in which electronic structure calculations are used to screen for catalysts that are stable, active and selective towards N-2 electro-reduction to ammonia, while at the same time suppressing the competing H-2 evolution reaction. The scheme is applied to transition metal nitride catalysts. The most promising candidates are the (100) facets of the rocksalt structures of VN and ZrN, which show promise of producing ammonia in high yield at low onset potentials.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据