The charge regulation of electronic structure and optical properties of graphitic carbon nitride under strain

• DOI: 10.1039/c9ra00396g
• Publication Date: 2019-03-06T12:09:59Z
• Authors: Hengshuai Li; Haiquan Hu; Chenglin Bai; Chunjiang Bao; Feng Guo; Zhenbao Feng; Yongjun Liu
• Keywords: Chemistry; 02 engineering and technology; 0210 nano-technology; 01 natural sciences; 7. Clean energy; 0104 chemical sciences

The electronic structure of the graphitic carbon nitride (g-C6N6) under strain was obtained using the hybrid density functional HSE06 with a larger computational workload.