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†

Kaijin Kang,‡^a Fei Liang,

‡^b Xianghe Meng,

‡^bc Jian Tang,^a Tixian Zeng,^d Mingjun Xia,

*^bc Zheshuai Lin,

^b Wenlong Yin

*^a and Kang Bin^a

Author affiliations

* Corresponding authors

^a Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900, China
E-mail: wlyin@caep.cn

^b Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
E-mail: xiamingjun@mail.ipc.ac.cn

^c Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China

^d Physics and Space Science College, China West Normal University, Nanchong 637002, China

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 P [3 with combining macron] m1 space group and feature an infinite Image ID:d0cc04547k-t1.gif 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.

This article is part of the themed collection: Chemical Communications HOT Articles

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Article information

DOI: https://doi.org/10.1039/D0CC04547K
Article type: Communication
Submitted: 01 Jul 2020
Accepted: 09 Sep 2020
First published: 09 Sep 2020

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Chem. Commun., 2020,56, 12534-12537

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

K. Kang, F. Liang, X. Meng, J. Tang, T. Zeng, M. Xia, Z. Lin, W. Yin and K. Bin, Chem. Commun., 2020, 56, 12534 DOI: 10.1039/D0CC04547K

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