Effect of acene length on electronic properties in 5-, 6-, and 7-ringed heteroacenes.
نویسندگان
چکیده
Interest in organic semiconductors is motivated by their promise to offer a viable route to fabricating low-cost electronic devices on arbitrary substrates, and by the versatility of their chemical structures and physical properties, accomplished by means of molecular engineering. [ 1–3 ] Molecular modifi cations can yield soluble semiconductors that allow reduced complexity device fabrication using methods such as spin-coating, ink-jet printing, roll-to-roll processing and spray-deposition. [ 4–7 ]
منابع مشابه
Theoretical Study of stereoelectronic effects of Boron Nitride Nanotubes in interaction with 7-hydroxy phenothiyazine 3-one sulphure dye by electron density functional theory
In this study interaction of phenothiazine sulfur dye with (5, 5) armchair open-end boron nitride nanotubes (BNNTs) in interaction (with a length of 7 Å) was investigated. The impacts of the estereoelectronic effect associated with donor-acceptor electron delocalizations, dipole-dipole interactions and total steric exchange energies on the structural and electronic properties and reactivity of ...
متن کاملTheoretical Study of stereoelectronic effects of Boron Nitride Nanotubes in interaction with 7-hydroxy phenothiyazine 3-one sulphure dye by electron density functional theory
In this study interaction of phenothiazine sulfur dye with (5, 5) armchair open-end boron nitride nanotubes (BNNTs) in interaction (with a length of 7 Å) was investigated. The impacts of the estereoelectronic effect associated with donor-acceptor electron delocalizations, dipole-dipole interactions and total steric exchange energies on the structural and electronic properties and reactivity of ...
متن کاملQuantum mechanical study of electronic and structural properties of methyl benzoate in interaction with boron nitride (BN) nanotube
To determine the non-bonded interaction between methyl benzoate and boron nitridenanotube, we focused on an armchair single-wall boron nitride nanotube (9,9) With length 5 angstroms.The geometry of molecules was optimized using B3LYP method with 6-31g* basis set. Also reactivityand stability of methyl benzoate and boron nitride nanotube (9,9) was checked. Then NBO, FREQ,...
متن کاملTheoretical insights of magnetizability and solvent effect on the electronic properties of CoB8- molecule
Equilibrium geometry, electronic structures, and vibrational modes of CoB8- were investigated in the PBEPBE/6-311+G(d,p) level of theory. The nucleus independent chemical shift (NICS) analysis and magnetizability values were used for studying of aromaticity in CoB8-. The effects of different solvents on the structure and frontier orbital energies were calculated using the polarizable continuum ...
متن کاملComputational study of substituent effect on the electronic properties of ferrocylidene acetophenones complexes
In this study, the substituent effect on the electronic, spectroscopic properties and thermodynamic parameters of neutral and oxidized states of ferrocylidene acetophenone complexes was investigated by adopting the hybrid meta exchange-correlation functional of M06-2X. The frontier orbitals and the highest occupied molecular orbitals–lowest unoccupied molecular orbitals gaps of the substituted ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Advanced materials
دوره 23 32 شماره
صفحات -
تاریخ انتشار 2011