Theoretical designing of symmetrical non-fullerene acceptor molecules by end-capped modification for promising photovoltaic properties of organic solar cells
M Ishtiaq, M Waqas, H Zubair, RF Mehmood… - Journal of Molecular …, 2023 - Elsevier
Non-fullerene small molecules must absorb in a broader wavelength range for achieving
high efficiencies. This work presents seven indacenodithiophene core-based acceptor …
high efficiencies. This work presents seven indacenodithiophene core-based acceptor …
Effect of tailoring π-linkers with extended conjugation on the SJ-IC molecule for achieving high V OC and improved charge mobility towards enhanced photovoltaic …
The problem of low efficiency of organic solar cells can be solved by improving the charge
mobility and open circuit voltage of these cells. The current research aims to present the role …
mobility and open circuit voltage of these cells. The current research aims to present the role …
Exploring the impact of electron acceptor tuning in D-π-A′-π-A photosensitizers on the photovoltaic performance of acridine-based DSSCs: A DFT/TDDFT …
Nine novel organic molecules with D-π-A′-π-A motifs, designated as (Ac-TQ sT-CA) and
(Ac-TB xT-CA), were proposed as potential photosensitizers for use in dye-sensitized solar …
(Ac-TB xT-CA), were proposed as potential photosensitizers for use in dye-sensitized solar …
Novel Two-Dimensional MA2N4 Materials for Photovoltaic and Spintronic Applications
We have systematically investigated a family of newly proposed two-dimensional MA2N4
materials (M= Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W; A= Si, Ge) using first-principles calculation. We …
materials (M= Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W; A= Si, Ge) using first-principles calculation. We …
DFT molecular modeling studies of D-π-A-π-D type cyclopentadithiophene-diketopyrrolopyrrole based small molecules donor materials for organic photovoltaic cells
R Zaier, S Ayachi - Optik, 2021 - Elsevier
A novel six D-π-A-π-D type compounds containing small molecules from
cyclopentadithiophene (CPDT) and diketopyrrolopyrrole building (DPP) units were …
cyclopentadithiophene (CPDT) and diketopyrrolopyrrole building (DPP) units were …
Recent progress toward high-performance dye-sensitized solar cells: a review
F Arkan, F Pakravesh, F Barati Darband… - Journal of the Iranian …, 2024 - Springer
In this study, various types of dye molecules, including natural, organic, and metal-free
organic dyes, designed for application in dye-sensitized solar cells (DSSCs), were …
organic dyes, designed for application in dye-sensitized solar cells (DSSCs), were …
[HTML][HTML] Theoretical study of new conjugated compounds with a low bandgap for bulk heterojunction solar cells: DFT and TD-DFT study
M Raftani, T Abram, N Bennani, M Bouachrine - Results in Chemistry, 2020 - Elsevier
Bulk heterojunction solar cells have attracted scientific and economic interest in recent
years, and have just been one of the future photovoltaic technologies to produce energy at …
years, and have just been one of the future photovoltaic technologies to produce energy at …
DFT, DFTB and TD-DFT theoretical investigations of π-conjugated molecules based on thieno [2, 3-b] indole for dye-sensitized solar cell applications
In this study, the electrochemical, photovoltaic and absorption properties of the new
designed organic sensitizers dyes: Dye-1, Dye-2, Dye-3 and Dye-4 based on Dye-R, of D-π …
designed organic sensitizers dyes: Dye-1, Dye-2, Dye-3 and Dye-4 based on Dye-R, of D-π …
Modeling of the photophysical and photovoltaic properties of an active layer based on the organic composite poly (2‐methoxy‐5‐(2‐ethyl‐hexyloxy)‐1, 4‐phenylene …
M Ltayef, M Mbarek, MM Almoneef… - International Journal of …, 2023 - Wiley Online Library
In this work, two different composite architectures have been investigated. These materials
are formed by the block and ramified MEHPPV‐P3HT copolymers mixing with the PCBM …
are formed by the block and ramified MEHPPV‐P3HT copolymers mixing with the PCBM …
Theoretical Expedition for Enhancing Photovoltaic Performance: DFT Investigation of Benzo[c][1,2,5] thiadiazole-Based Scaffolds for Organic Solar Cells
M Khalid, M Sagir, M Zahid, SFA Morais… - Industrial & …, 2024 - ACS Publications
Currently, the development of efficient photovoltaic materials is accelerated by the use of
fullerene-free small molecular acceptors. Therefore, we designed and studied the …
fullerene-free small molecular acceptors. Therefore, we designed and studied the …