Two-Dimensional Semiconducting ZrNX (X= Cl, Br, I) with a Janus Structure for Solar Energy Utilization

Recently, two-dimensional (2D) Zr-based halides have brought an intensive interest for applications in multifunctional energy conversion. Herein, the single-layer ZrNX (ZrNCl, ZrNBr, and ZrNI) and Janus ones (Zr2N2ClBr, Zr2N2ClI, and Zr2N2BrI) are proposed using first-principles calculations. The si...

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Veröffentlicht in:	Journal of physical chemistry. C 2023-11, Vol.127 (45), p.22105-22111
Hauptverfasser:	Huang, Xingyong, Wan, Mingjie, Liu, Futi, Song, Hai-zhi, Yang, Ming
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Spectroscopy and Dynamics of Nano, Hybrid, and Low-Dimensional Materials
Online-Zugang:	Volltext
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