Solution-processed polycrystalline copper tetrabenzoporphyrin thin-film transistors

Ab initio electronic structure calculations of solid, solution-processed metallotetrabenzoporphyrins

“…2 solution-processed MTBP films, 4,[7][8][9] given the relative results presented here the nature of those bands could be expected to affect charge transport as follows. The curvature of the dispersionless, mid-gap bands induced by the Cu 2+ 3d 9 and Ni 2+ 3d 8 orbitals in the 3d x 2 −y 2 configuration indicates m * h in the CuTBP band is large, and an electron excited to the NiTBP band will be expected to have a large m * e compared to the CBM.…”

“…35 The minimal variation from single-molecule to crystalline form indicates that, as shown here, the intermolecular interaction is very weak. 32 In Ni porphyrins, the Ni 2+ atom, with its spin-paired, diamagnetic 3d 8 open-shell, is found to also introduce a LUMO orbital of 3d x 2 −y 2 character. 22,43,52 Krasnikov et al designated the lowest two unoccupied orbitals as LUMO levels, the lowest being the Ni 3d x 2 −y 2 and the second being related to the porphin C and N 2p orbitals.…”

“…Whereas in CuTBP the 3d 9 orbital contributes notably on the valence band side of the bandgap, in NiTBP the Ni 2+ 3d 8 orbital contributes on both sides of the band gap. That is, both the Ni-related mid-gap band, and the band below the VBM comprise contributions by the Ni 3d 8 orbital. Furthermore, while W v is more narrow in NiTBP, the PDOS reveals that the sum densities of states are notably larger in the VBM than for the other MTBPs.…”

“…[2][3][4][5][6] The synthetic process used to create the precursor molecules can be altered to create variations of the TBP molecule that exhibit widely different thin-film morphology and electrical performance; H 2 , Cu, Ni, and Zn core substitutions (TBP, CuTBP, NiTBP, and ZnTBP, respectively) in particular have demonstrated organic field-effect transistors (OFETs) with mobilities (µ FE ) in the range of 0.01-1 cm 2 /V-s. 5,[7][8][9] TBP has also recently been demonstrated as a robust donor material in organic photovoltaics (OPVs). 10,11 The bulk of theoretical examinations on the electronic structures of porphyrins have focused on single molecules, typically deriving their interpretation from the Gouterman four-orbital model.…”

Template Synthesis of Lanthanides Complexes with 5,15-Diphenyltetrabenzoporphyrin

“…Уникальные физико-химиче-ские свойства металлокомплексов тетрабензопорфи-ринов обусловливают перспективность использования этих соединений, например, в тонкопленочной электро-нике, [1][2][3][4][5] медицине [6][7][8] и сенсорике. [9] Особое внимание в настоящее время привлекают мезо-арилзамещенные тетрабензопорфирины.…”