The band structures of 2D binary HT-polymers computed at the HSE06 level of theory are given in Figures and reveal that all three 2D polymers are semiconductors with a direct band gap of 2.12 eV, 1.98 eV and 2.28 eV for 2D CTPAB, OTPAB and MTPAB, respectively, smaller than that of the corresponding unary counterparts (Table ). Both the conduction band minimum (CBM) and valence band maximum (VBM) of 2D binary HT-polymers are located at the K point.