Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design

CATEGORY: RATIONAL CATALYST DESIGN
Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design

Type	Journal Article
Author	Younes Abghoui
Author	Anna L. Garden
URL	http://pubs.rsc.org/en/content/articlelanding/2015/cp/c4cp04838e
Volume	17
Issue	7
Pages	4909-4918
Publication	Physical Chemistry Chemical Physics
Date	2015-02-04
Abstract	Commercial design of a sustainable route for on-site production of ammonia offers a potential economic and environmental breakthrough. In an analogous process to the naturally occurring enzymatic mechanism, synthesis of ammonia can be achieved in an electrochemical cell, in which electricity can be used to reduce atmospheric nitrogen and water into ammonia at ambient conditions. The process has not been realized due to slow kinetics and low faradaic efficiencies. While progress has been made, there still exists no device that can produce ammonia efficiently from air and water at room temperature and ambient pressure. Authors describe a method in which electronic structure calculations are used to screen for catalysts that are stable, active and selective towards N2 electro-reduction to ammonia, while at the same time suppressing the competing H2 evolution reaction. They apply the scheme to transition metal nitride catalysts.