Chengzhang Wu

Abstract Despite the development of Mg-based hydrogen storage alloys over decades, undesired particle growth and poorly controlled interfacial connectivity have remained unsolved, significantly degrading their hydrogen storage capability. These challenges majorly arise from the uniformly dispersed multiple phases of alloys.

Chuangwei Liu†, Qinye Li‡, Chengzhang Wu§, Jie Zhang† , Yonggang Jin∥, Douglas R.

Boron has been explored as p-block catalysts for nitrogen reduction reaction (NRR) by density functional theory. Unlike transition metals, on which the active centers need empty d orbitals to accept the lone-pair electrons of the nitrogen molecule, the sp3 hybrid orbital of the boron atom can form B-to-N π-back bonding. This results in the population of the N–N π* orbital and the concomitant decrease of the N–N bond order.