Study of structural, optical properties and electronic structure of PTCDI-C5 organic nanostructure

Kurban M., Gunduz B.

CHEMICAL PHYSICS LETTERS, cilt.691, ss.14-21, 2018 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 691
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1016/j.cplett.2017.10.053
  • Dergi Adı: CHEMICAL PHYSICS LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.14-21
  • Anahtar Kelimeler: Organic nanostructures, Optical properties, Electrical conductivity, Electronic structure, Density-functional theory, Refractive index, THIN-FILM TRANSISTORS, PERYLENE DIIMIDES, SUBSTITUTED GROUPS, SOLAR-CELLS, DENSITY, SEMICONDUCTORS, FLUORESCENT, PHOTOCONDUCTIVITY, DERIVATIVES, EXPLOSIVES
  • Ankara Üniversitesi Adresli: Hayır

Özet

This work reports the change in the structural, electronic, spectroscopic and optical properties of N,N'-Dipentyl-3,4,9,10-perylenedicarboximide (PTCDI-C5) small molecule via experimental and theoretical techniques. Experimental and simple models were taken into consideration to calculate the refractive index (n) of PTCDI-C5 from its energy gap (E-g) data. Electrical conductance was recorded. UV, FT-IR and FT-Raman spectra characteristics and the electronic properties of PTCDI-C5 were also recorded time-dependent (TD) DFT approach based on optimized structure with different solvent environments. The results herein obtained reveal that PTCDI-C5 material is suitable for UV and chemical sensors due to its good optoelectronic paramaters. (C) 2017 Elsevier B.V. All rights reserved.