Bridged triarylboranes,‐silanes,‐amines, and‐phosphines as minimalistic heteroatom‐containing polycyclic aromatic hydrocarbons: Progress and challenges

TA Schaub, K Padberg, M Kivala - Journal of Physical Organic …, 2020 - Wiley Online Library
Minimalistic heteroaromatic scaffolds result from the introduction of various ortho‐bridging
moieties into triarylboranes,‐silanes,‐amines, and‐phosphines. This molecular design …

The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells

I Shafiq, M Khalid, M Muneer, MA Asghar… - Materials Chemistry and …, 2023 - Elsevier
To meet the energy demands, fullerene-free organic systems have been emerging as
efficient photovoltaic materials. Therefore, we have tailored benzodithiophene-based A-π-D …

The role of the donor group and electron-accepting substitutions inserted in π-linkers in tuning the optoelectronic properties of D–π–A dye-sensitized solar cells: a DFT …

H Roohi, N Mohtamadifar - RSC advances, 2022 - pubs.rsc.org
The design of low-cost and high-efficiency sensitizers is one of the most important factors in
the expansion of dye-sensitized solar cells (DSSCs). To obtain effective sensitizer dyes for …

Rigid fused π-spacers in D–π–A type molecules for dye-sensitized solar cells: a computational investigation

P Li, Z Wang, C Song, H Zhang - Journal of Materials Chemistry C, 2017 - pubs.rsc.org
A class of D–π–A dyes with rigid fused π-bridges comprising electron rich and deficient
segments has been investigated by means of quantum chemical calculations. To gain a …

Introducing chenodeoxycholic acid coadsorbent and strong electron-withdrawing group in indoline dyes to design high-performance solar cells: a remarkable …

L Mao, S Dun, H Ren, J Jiang, X Guo… - Journal of Materials …, 2021 - pubs.rsc.org
The addition of coadsorbents and the introduction of electron-withdrawing groups in dye
sensitizers are considered feasible strategies for improving the power conversion efficiency …

Efficient tuning of benzocarbazole based small donor molecules with D-π-A-π-D configuration for high-efficiency solar cells via π-bridge manipulation: A DFT/TD-DFT …

H Etabti, A Fitri, AT Benjelloun, M Benzakour… - Computational and …, 2022 - Elsevier
Nine new donor molecules BCi (i= 1–9) of type D-π-A-π-D are explored to study their
application to improve the efficiency of OSCs. These designed molecules contain a central …

Promising architectures modifying the D-π-A architecture of 2, 3-dipentyldithieno [3, 2-f: 2′, 3′-h] quinoxaline-based dye as efficient sensitizers in dye-sensitized …

N Wazzan, A Irfan - Materials Science in Semiconductor Processing, 2020 - Elsevier
Abstract As reported,(E)-2-cyano-3-(2, 3-dipentyl-9-(7-(4-(p-tolyl)-1, 2, 3, 3a, 4, 8b-
hexahydrocyclopenta [b] indol-7-yl) benzo [c](Cui and et al., 2019; He and et al., 2017; Feng …

Enriching the electronic populations of D-π-A type ON-OFF solar switches with sp2 hybridization: A TD-DFT possibility to create pull-push effect

AU Hassan, SH Sumrra, Y Li, G Mustafa, W Zafar… - Computational and …, 2023 - Elsevier
The ability of specific molecular acceptors in photovoltaic devices is determined by their
structure and chemical composition. Multiscale computations are important to protect …

Promising pyridinium ylide based anchors towards high-efficiency dyes for dye-sensitized solar cells applications: Insights from theoretical investigations

TF Lu, W Li, J Chen, J Tang, FQ Bai, HX Zhang - Electrochimica Acta, 2018 - Elsevier
We theoretically examine a series of anchors for dye-sensitized solar cells application, with
particular attention was paid to the potential of novel pyridinium ylide based anchors. The …

UV-selective organic absorbers for the cosensitization of greenhouse-integrated dye-sensitized solar cells: synthesis and computational study

RB Alnoman, E Nabil, S Parveen, M Hagar… - RSC advances, 2022 - pubs.rsc.org
Molecular cosensitization is favorable for manipulating solar radiation through the judicious
choice of cosensitizers having complementary absorption spectra. For greenhouse …