EFFECTS OF ANCHORING GROUPS ON ORGANIC SENSITIZERS FOR DYE-SENSITIZED
SOLAR CELLS: A FIRST PRINCIPLE STUDY
A series of rigid triphenylamine (TPA) dyes have been designed with the
donor (D)-π-acceptor (A) architecture. To screen the acceptor moities,
we have design that’s A1 and A2. The design sensitizer to evaluate the
parameters such as geometries, electronic structures, and optical
properties, along with dipole moment, polarizability and first-order
hyperpolarizability were calculated using density functional theory
(DFT) and time-dependent DFT (TD-DFT). Photo physical properties like
wavelength of maximum absorption (λmax), oscillator strength (f), light
harvesting efficiency (LHE) and dipole moment ( ) have been analyzed.
Based on the results A2 acceptor moities having good photo physical
properties, so this A2 based dyes having good sensitizer for dye
sensitized solar cells application.