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Title: Modulation of Electronic and Self-Assembly Properties of a Donor-Acceptor-Donor-Based Molecular Materials via Atomistic Approach
Authors: Dhar, Joydeep
Swathi, K.
Karothu, Durga Prasad
Narayan, K. S.
Patil, Satish
Keywords: Nanoscience & Nanotechnology
Materials Science
electronic property
Field-Effect Transistors
Heterojunction Solar-Cells
Conjugated Polymers
High Hole
Issue Date: 2015
Publisher: American Chemical Society
Citation: ACS Applied Materials & Interfaces
Dhar, J.; Swathi, K.; Karothu, D. P.; Narayan, K. S.; Patil, S., Modulation of Electronic and Self-Assembly Properties of a Donor-Acceptor-Donor-Based Molecular Materials via Atomistic Approach. ACS Applied Materials & Interfaces 2015, 7 (1), 670-681.
Abstract: The performance of molecular materials in optoelectronic devices critically depends upon their electronic properties and solid-state structure. In this report, we have synthesized sulfur and selenium based (T4BT and T4BSe) donor-acceptor-donor (D-A-D) organic derivatives in order to understand the structure-property correlation in organic semiconductors by selectively tuning the chalcogen atom. The photophysical properties exhibit a significant alteration upon varying a single atom in the molecular structure. A joint theoretical and experimental investigation suggests that replacing sulfur with selenium significantly reduces the band gap and molar absorption coefficient because of lower electronegativity and ionization potential of selenium. Single-crystal X-ray diffraction analysis showed differences in their solid-state packing and intermolecular interactions. Subsequently, difference in the solid-state packing results variation in self-assembly. Micorstructural changes within these materials are correlated to their electrical resistance variation, investigated by conducting probe atomic force microscopy (CP-AFM) measurements. These results provide useful guidelines to understand the fundamental properties of D-A-D materials prepared by atomistic modulation.
Description: Restricted access
ISSN: 1944-8244
Appears in Collections:Research Articles (Narayan K. S.)

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