催化作用
缩放比例
离解(化学)
热力学
过渡金属
氨生产
吸附
化学
材料科学
化学物理
物理化学
有机化学
物理
数学
几何学
作者
Aleksandra Vojvodić,Andrew J. Medford,Felix Studt,Frank Abild‐Pedersen,Tuhin Suvra Khan,Thomas Bligaard,Jens K. Nørskov
标识
DOI:10.1016/j.cplett.2014.03.003
摘要
The Haber–Bosch process for ammonia synthesis has been suggested to be the most important invention of the 20th century, and called the ‘Bellwether reaction in heterogeneous catalysis’. We examine the catalyst requirements for a new low-pressure, low-temperature synthesis process. We show that the absence of such a process for conventional transition metal catalysts can be understood as a consequence of a scaling relation between the activation energy for N2 dissociation and N adsorption energy found at the surface of these materials. A better catalyst cannot obey this scaling relation. We define the ideal scaling relation characterizing the most active catalyst possible, and show that it is theoretically possible to have a low pressure, low-temperature Haber–Bosch process. The challenge is to find new classes of catalyst materials with properties approaching the ideal, and we discuss the possibility that transition metal compounds have such properties.
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