期刊论文

Zhang, Lizhi;Ozin, Geoffrey A.

英文

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

0002-7863

2020

142

41

17403-17412

10.1021/jacs.0c06118

Support for work in China came from National Natural Science Funds for Distinguished Young Scholars (21425728), National Key Research and Development Program of China (2016YFA0203002), National Science Foundation of China (51472100, 21872061), China Scholarship Council (CSC), and Excellent Doctoral Dissertation Cultivation Grant from Central China Normal University (2019YBZZ026). We also thank the National Supercomputer Center in Shenzhen for providing high-performance computation. Support for the work in Canada came from the Natural Sciences and Engineering Council of Canada (NSERC). Assistance in editing this manuscript was provided by Paul N. Duchesne, who acknowledges financial support from the NSERC Postdoctoral Fellowships program.

本校为第一且通讯机构

Optimizing kinetic barriers of ammonia synthesis to reduce the energy intensity has recently attracted significant research interest. The motivation for the research is to discover means by which activation barriers of N-2 dissociation and NHz (z = 1-2, surface intermediates) destabilization can be reduced simultaneously, that is, breaking the "scaling relationship". However, by far only a single success has been reported in 2016 based on the discovery of a strong-weak N-bonding pair: transition metals (nitrides)-LiH. Described herein is a second example that is counterintuitively founded upon...