Tianjin Key Laboratory of Structure and Performance for Functional Molecules;
Key Laboratory of Inorganic-Organic Hybrid Functional Materials Chemistry;
Ministry of Education;
College of Chemistry;
Tianjin Normal University;
Tianjin 300387;
China;
Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices;
Hubei University of Arts and Science;
Xiangyang 441053;
China;
ARC Centre of Excellence for Electromaterials Science;
Intelligent Polymer Research Institute;
Australia Institute for Innovative Materials(AIIM);
Innovation Campus;
University of Wollongong;
Wollongong 2519;
Australia;
First-principle calculations; Carbon monochalcogenides; Carrier mobility; Optical absorption; Water splitting;