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Synthesis of Selenium Based DII‐A‐DI‐A‐DII Type Small Molecular e‐Donors Employing Stille Coupling and Their Thermal, Electrochemical and Photovoltaic Properties
Author(s) -
Appalanaidu Ejjurothu,
Busireddy Manohar Reddy,
Srikanth Katta Eswar,
Reddy B. V. Subba,
Rao Vaidya Jayathirtha,
Thomas Renjith
Publication year - 2020
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.202003216
Subject(s) - stille reaction , selenium , electrochemistry , photovoltaic system , materials science , coupling (piping) , thermal , chemistry , electrode , physics , metallurgy , polymer , electrical engineering , engineering , composite material , thermodynamics
High power conversion efficiency (PCE) organic solar cells (OSC) with planar D II ‐A‐D I ‐A‐D II structured organic molecule with alkylthiophene‐bezodithiophene (SBDT) a midway donor unit D I with varied number of fluorine atoms like benzoselenadiazole ( SBTSe and SFBTSe ) a acceptor unit and alkyl‐bithiophene a end group and donor unit D II , SFBTSe and SBTSe , were designed and synthesized for the appliance as donor moieties in OSC. It showed an intense absorption in visible expanse (582, 577 nm) and frontier orbital levels of HOMO (−5.49 and−5.50 eV), and LUMO level of (−3.57 and−3.59 eV), for SBTSe and SFBTSe respectively. The acceptor units were assigned using the results obtained from experiments and DFT/TD‐DFT simulations. This study reveals that all the acceptors are not identical in influencing the energy levels. Besides acceptors, molecular framework also plays a significant role in this regard. In addition, we have found that the acceptor's performance depends on its electron withdrawing ability. This manuscript provides a better understanding about the acceptor‘s property relationship and vital insights on the design of novel terminal acceptor units with greater number of hetero‐functionalities to developing the PCE of the OSC.