Theoretical and experimental study on narrowing the band gap of carbon nitride photocatalyst by coupling a wide gap molecule

• Published in: Chemical physics letters 2012-10, Vol.550, p.175-180
• Main Authors: Guo, Yong, Yang, Juncheng, Chu, Sheng, Kong, Fei, Luo, Leilei, Wang, Ying, Zou, Zhigang
• Format: Article
• Language: English
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2012.09.019

Experimental and theoretical methods have been combined to investigate why PMDA can extend light absorption of wide band gap carbon nitride polymer. Based on VBXPS results and detailed orbital analysis, it is most likely that LUMO of PMDA acts as doping state between CB and VB of wide band gap carbon nitride polymer and extends light absorption by using its LUMO to accept the electron from VB. In addition, the interaction between PMDA and wide band gap carbon nitride polymer influence the energies of CB and VB. [Display omitted] ► Wide gap anhydride can sensitize wide band gap carbon nitride polymer (CNP). ► Sensitization is realized using LUMO of anhydride to accept electrons of VB in CNP. ► The interaction between anhydride and CNP also influences VB and CB energies of CNP. Experimental and theoretical methods have been combined to investigate why 1,2,4,5-benzene tetracarboxylic dianhydride (PMDA) can extend light absorption of wide band gap carbon nitride polymer. Based on VBXPS results and detailed orbital analysis, it is most likely that LUMO of PMDA acts as doping state between CB and VB of wide band gap carbon nitride polymer and extends light absorption by using its LUMO to accept the electron from VB. In addition, the interaction between PMDA and wide band gap carbon nitride polymer influence the energies of CB and VB.