过电位
电催化剂
析氧
氨生产
电化学
缩放比例
生化工程
生产(经济)
纳米技术
化学
材料科学
催化作用
电极
经济
有机化学
物理化学
数学
工程类
几何学
宏观经济学
作者
Joseph H. Montoya,Charlie Tsai,Aleksandra Vojvodić,Jens K. Nørskov
出处
期刊:Chemsuschem
[Wiley]
日期:2015-06-10
卷期号:8 (13): 2180-2186
被引量:1043
标识
DOI:10.1002/cssc.201500322
摘要
The electrochemical production of NH3 under ambient conditions represents an attractive prospect for sustainable agriculture, but electrocatalysts that selectively reduce N2 to NH3 remain elusive. In this work, we present insights from DFT calculations that describe limitations on the low-temperature electrocatalytic production of NH3 from N2 . In particular, we highlight the linear scaling relations of the adsorption energies of intermediates that can be used to model the overpotential requirements in this process. By using a two-variable description of the theoretical overpotential, we identify fundamental limitations on N2 reduction analogous to those present in processes such as oxygen evolution. Using these trends, we propose new strategies for catalyst design that may help guide the search for an electrocatalyst that can achieve selective N2 reduction.
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