Halogenation of the Side Chains in Donor‐Acceptor Based Small Molecules for Photovoltaic Applications: Energetics and Charge‐Transfer Properties from DFT/TDDFT Studies

2021 ◽  
Vol 6 (21) ◽  
pp. 5254-5265
Author(s):  
Mohd Shavez ◽  
Anuj Kumar Ray ◽  
Aditya N. Panda
Keyword(s):  
Charge Transfer ◽  
Small Molecules ◽  
Side Chains ◽  
Photovoltaic Applications ◽  
Donor Acceptor ◽  
Transfer Properties

scholarly journals Probing charge transfer characteristics in a donor–acceptor metal–organic framework by Raman spectroelectrochemistry and pressure-dependence studies

2018 ◽  
Vol 20 (40) ◽  
pp. 25772-25779 ◽  
Author(s):  
Pavel M. Usov ◽  
Chanel F. Leong ◽  
Bun Chan ◽  
Mikihiro Hayashi ◽  
Hiroshi Kitagawa ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Pressure Dependence ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Transfer Characteristics ◽  
Donor Acceptor ◽  
Metal Organic ◽  
Transfer Properties ◽  
Organic Framework

Donor–Acceptor Metal–Organic Frameworks display redox and pressure dependent charge transfer properties.

Charge transfer properties of a donor–acceptor dyad based on an expanded acridinium cation

RSC Advances ◽  
2013 ◽  
Vol 3 (15) ◽  
pp. 4995 ◽  
Author(s):  
Andrew C. Benniston ◽  
Xiaoyan He ◽  
Helge Lemmetyinen ◽  
Nikolai V. Tkachenko
Keyword(s):  
Charge Transfer ◽  
Donor Acceptor ◽  
Transfer Properties

Assessing electronic properties of desymmetrized heterocyclic patterns: towards tuning small molecules for photovoltaic applications

MRS Advances ◽  
2020 ◽  
Vol 5 (61) ◽  
pp. 3171-3184
Author(s):  
Oscar González-Antonio ◽  
Rebeca Yépez ◽  
María Magdalena Vázquez-Alvarado ◽  
Blas Flores-Pérez ◽  
Norberto Farfán ◽  
...  
Keyword(s):  
Small Molecules ◽  
Heterocyclic Compounds ◽  
Computational Analysis ◽  
Organic Molecules ◽  
Spectroscopic Properties ◽  
Small Organic Molecules ◽  
Photovoltaic Materials ◽  
Photovoltaic Applications ◽  
Donor Acceptor ◽  
Homo Lumo

AbstractA series of highly attainable desymmetrized heterocyclic compounds with Donor-Acceptor-Donor-Acceptor-X (D-A-D-X) architectures were synthesized. The structures, where X corresponds to a heteroaromatic portion (pyridine, ferrocene, thiadiazolopyridine), were designed through computational analysis. Molecular geometries for all compounds were studied and parameters of charge transfer were computed in order to analyse the behaviour in each architecture. Spectroscopic properties (maximum absorption wavelengths, extinction coefficients and HOMO-LUMO gaps) were predicted and measured experimentally. UV-Vis absorption profiles and values of HOMO-LUMO optical gaps (in the vicinity of 2.0 eV), together with the computational results, are properties that position the obtained systems, as potential candidates for developing efficient photovoltaic materials based on synthetically accessible small organic molecules.

Acceptor–donor–acceptor-based small molecules with varied crystallinity: processing additive-induced nanofibril in blend film for photovoltaic applications

Nanoscale ◽  
2013 ◽  
Vol 5 (20) ◽  
pp. 9536 ◽  
Author(s):  
Chao Li ◽  
Yujin Chen ◽  
Yue Zhao ◽  
Huifang Wang ◽  
Wei Zhang ◽  
...  
Keyword(s):  
Small Molecules ◽  
Blend Film ◽  
Photovoltaic Applications ◽  
Donor Acceptor

Structure-Dependent Charge Transfer in Molecular Perylene-Based Donor/Acceptor Systems and Role of Side Chains

2020 ◽  
Vol 124 (21) ◽  
pp. 11639-11651
Author(s):  
Valentina Belova ◽  
Alexander Hinderhofer ◽  
Clemens Zeiser ◽  
Timo Storzer ◽  
Jakub Rozbořil ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Side Chains ◽  
Donor Acceptor
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