三核硫化铌和硫化钨簇合物Nb₃Sₙ和W₃Sₙ（n = 0 - 3）上氮活化的比较：一项密度泛函理论研究

Comparison of Nitrogen Activation on Trinuclear Niobium and Tungsten Sulfide Clusters Nb S and W S (n=0-3): A DFT Study.

作者信息

Gurti Joseph Israel, Ding Xun-Lei, Wang Ya Ya, Chen Yan, Li Wei, Wang Xin

机构信息

School of Mathematics and Physics, North China Electric Power University, Beinong Road 2, Changping, Beijing, 102206, P. R. China.

International Education Institute, North China Electric Power University, Beinong Road 2, Changping, Beijing, 102206, P. R. China.

出版信息

Chemphyschem. 2022 Jul 19;23(14):e202200431. doi: 10.1002/cphc.202200431.

DOI:10.1002/cphc.202200431

PMID:35852157

Abstract

The front cover artwork is provided by Prof. Xun-Lei Ding's group at North China Electric Power University (NCEPU). The image shows the cleavage of the triple bond of a dinitrogen molecule on trinuclear metal clusters with sulfide ligands, which is the critical step in nitrogen reduction reactions (NRR). Read the full text of the Research Article at 10.1002/cphc.202200124.

摘要

封面插图由华北电力大学（NCEPU）的丁 Xun-Lei 教授团队提供。该图像展示了具有硫化物配体的三核金属簇上二氮分子三键的裂解，这是氮还原反应（NRR）中的关键步骤。请访问 10.1002/cphc.202200124 阅读该研究论文的全文。