DFT Investigation of Substitution Effects on the Electronic Properties of Perylene Bisimides Derivatives
2014 ◽
Vol 513-517
◽
pp. 347-350
Keyword(s):
Perylene Bisimides Derivatives (PBIs) are typical semiconductor materials. The electronic structures of PBIs were successfully investigated by density functions theory (DFT). The computational results were in the good accordance with the experimental UV-vis spectra. Additionally, the electronic structure and the variational UV-vis absorption spectra of PBIs were explained.
2012 ◽
Vol 532-533
◽
pp. 97-100
Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations
2014 ◽
Vol 52
(12)
◽
pp. 1025-1029
Keyword(s):
X Ray
◽
2019 ◽
Vol 7
(33)
◽
pp. 19531-19538
◽
Keyword(s):
Keyword(s):
1979 ◽
Vol 20
(3)
◽
pp. 485-486
◽