K4Cu3(C3N3O3)2X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p-p and d-p conjugated π-bonds

Kaijin Kang; Fei Liang; Xianghe Meng; Jian Tang; Tixian Zeng; Mingjun Xia; Zheshuai Lin; Wenlong Yin; Kang Bin

doi:10.1039/d0cc04547k

K₄Cu₃(C₃N₃O₃)₂X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p-p and d-p conjugated π-bonds

Chem Commun (Camb). 2020 Oct 25;56(83):12534-12537. doi: 10.1039/d0cc04547k. Epub 2020 Sep 18.

Authors

Kaijin Kang¹, Fei Liang, Xianghe Meng, Jian Tang, Tixian Zeng, Mingjun Xia, Zheshuai Lin, Wenlong Yin, Kang Bin

Affiliation

¹ Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900, China. wlyin@caep.cn.

PMID: 32945827
DOI: 10.1039/d0cc04547k

Abstract

2D materials are gaining more and more interest owing to their promising applications in future electronic industry. Here, two new quasi-2D metal cyanurates, K₄Cu₃(C₃N₃O₃)₂X (X = Cl, Br), were grown and characterized for the first time. They belong to the trigonal P3[combining macron]m1 space group and feature an infinite layer, constructed by p-p conjugation in the (C₃N₃O₃) planar six-membered-rings and d-p conjugation in the N-Cu-N linear chains. Moreover, they are indirect semiconductors with suitable bandgaps of 3.5 eV, locating between g-C₃N₄ and h-BN. The electronic states and anisotropic optical responses were also studied through theoretical calculations.