Theoretical studies to investigate the effect of different cores and two different topologies on the optical and charge transfer properties of donor materials for organic solar cells

2016 ◽  
Vol 40 (4) ◽  
pp. 3693-3704 ◽  
Author(s):  
Shamsa Bibi ◽  
Jingping Zhang
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Organic Solar Cells ◽  
Three Dimensional ◽  
Theoretical Studies ◽  
Absorption Bands ◽  
Broad Absorption ◽  
The Core ◽  
Reorganization Energies ◽  
Transfer Properties

Three dimensional conjugated three- and four-armed molecules with core-D–π–A and core-A–π–D topologies were designed and studied by DFT, revealing that molecules with the core-A–π–D topology and N or C cores would result low reorganization energies and broad absorption bands for organic solar cells.

Theoretical studies of heteroatom-doping in TiO2 to enhance the electron injection in dye-sensitized solar cells

RSC Advances ◽  
2015 ◽  
Vol 5 (97) ◽  
pp. 79868-79873 ◽  
Author(s):  
Li Hao ◽  
Fu-Quan Bai ◽  
Chui-Peng Kong ◽  
Shamsa Bibi ◽  
Hong-Xing Zhang
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Dye Sensitized Solar Cells ◽  
Theoretical Studies ◽  
Heteroatom Doping ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Transfer Properties

Density functional calculations have been explored to analyze the structural, electronic and charge transfer properties of a doped TiO2 substrate and catechol–TiO2 interfaces for dye-sensitized solar cells.

An A–D–A′–D–A type small molecule acceptor with a broad absorption spectrum for organic solar cells

2018 ◽  
Vol 54 (3) ◽  
pp. 303-306 ◽  
Author(s):  
Junhui Miao ◽  
Bin Meng ◽  
Jun Liu ◽  
Lixiang Wang
Keyword(s):  
Absorption Spectrum ◽  
Solar Cells ◽  
Charge Transfer ◽  
Absorption Spectra ◽  
Small Molecule ◽  
Organic Solar Cells ◽  
Intramolecular Charge Transfer ◽  
Transfer Effect ◽  
Broad Absorption

The use of an A–D–A′–D–A strategy to develop small molecule acceptors with broad absorption spectra through suppressing the intramolecular charge transfer effect is studied.

ITIC Derivative Acceptors for Ternary Organic Solar Cells: Fine-Tuning of Absorption Bands, LUMO Energy Levels, and Cascade Charge Transfer

2021 ◽  
Author(s):  
Seungyun Baik ◽  
Dong Won Kim ◽  
Hyun−Sik Kang ◽  
Seung Hwa Hong ◽  
Sungjin Park ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Solar Cell ◽  
Organic Solar Cells ◽  
Organic Solar Cell ◽  
Energy Levels ◽  
Fine Tuning ◽  
Absorption Bands ◽  
Lumo Energy ◽  
Acceptor Molecules

For effective supplementary acceptor molecules (A2) in ternary organic solar cell (TOSC) devices, a series of ITIC derivatives was designed and synthesized by incorporating symmetrically or asymmetrically functional termini of...

Boron-Nitrogen Doped Dihydroindeno[1,2-b]fluorene Derivatives as Acceptors in Organic Solar Cells

2019 ◽  
Author(s):  
Matthew Morgan ◽  
Maryam Nazari ◽  
Thomas Pickl ◽  
J. Mikko Rautiainen ◽  
Heikki M. Tuononen ◽  
...  
Keyword(s):  
Solar Cells ◽  
Solar Cell ◽  
Organic Solar Cells ◽  
Organic Solar Cell ◽  
Broad Absorption ◽  
Nitrogen Doped ◽  
Large Depth ◽  
End Products ◽  
Boron Nitrogen ◽  
The Way

The electrophilic borylation of 2,5-diarylpyrazines results in the formation of boron-nitrogen doped dihydroindeno[1,2-<i>b</i>]fluorene which can be synthesized via mildly air-sensitive techniques and the end products handled readily under atmosphereic conditions. Through transmetallation via diarylzinc reagents a series of derivatives were sythesized which show broad absorption profiles that highlight the versatility of this backbone to be used in organic solar cell devices. These compounds can be synthesized in large yields, in alow number of steps and functionalized at many stages along the way providing a large depth of possibilities. Exploratory device paramaters were studied and show PCE of 2%.

scholarly journals A SERS Study of Charge Transfer Process in Au Nanorod–MBA@Cu2O Assemblies: Effect of Length to Diameter Ratio of Au Nanorods

Nanomaterials ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 867
Author(s):  
Lin Guo ◽  
Zhu Mao ◽  
Sila Jin ◽  
Lin Zhu ◽  
Junqi Zhao ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Shell Structure ◽  
Shell Structures ◽  
Core Shell ◽  
Absorption Bands ◽  
Au Nanorods ◽  
The Core ◽  
Band Position ◽  
Surface Enhanced Raman ◽  
Core Shell Structure

Surface-enhanced Raman scattering (SERS) is a powerful tool in charge transfer (CT) process research. By analyzing the relative intensity of the characteristic bands in the bridging molecules, one can obtain detailed information about the CT between two materials. Herein, we synthesized a series of Au nanorods (NRs) with different length-to-diameter ratios (L/Ds) and used these Au NRs to prepare a series of core–shell structures with the same Cu2O thicknesses to form Au NR–4-mercaptobenzoic acid (MBA)@Cu2O core–shell structures. Surface plasmon resonance (SPR) absorption bands were adjusted by tuning the L/Ds of Au NR cores in these assemblies. SERS spectra of the core-shell structure were obtained under 633 and 785 nm laser excitations, and on the basis of the differences in the relative band strengths of these SERS spectra detected with the as-synthesized assemblies, we calculated the CT degree of the core–shell structure. We explored whether the Cu2O conduction band and valence band position and the SPR absorption band position together affect the CT process in the core–shell structure. In this work, we found that the specific surface area of the Au NRs could influence the CT process in Au NR–MBA@Cu2O core–shell structures, which has rarely been discussed before.

Uphill and downhill charge generation from charge transfer to charge separated states in organic solar cells

2021 ◽  
Author(s):  
Shahidul Alam ◽  
Vojtech Nádaždy ◽  
Tomáš Váry ◽  
Christian Friebe ◽  
Rico Meitzner ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Solar Cells ◽  
Charge Transfer ◽  
Energy Level ◽  
Density Of States ◽  
Organic Solar Cells ◽  
Joint Density ◽  
Charge Generation ◽  
Donor Acceptor

Energy level alignments at the organic donor–acceptor interface cannot be predicted from cyclic voltammetry. Onsets for joint density of states and charge generation, reveal cases of energy uphill and – newly observed – downhill charge generation.

Theoretical design of three-dimensional non-fullerene acceptor materials based on an arylenediimide unit towards high efficiency organic solar cells

2017 ◽  
Vol 41 (10) ◽  
pp. 3857-3864 ◽  
Author(s):  
Qing-Qing Pan ◽  
Shuang-Bao Li ◽  
Yong Wu ◽  
Ji Zhang ◽  
Hai-Bin Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
High Performance ◽  
High Efficiency ◽  
Three Dimensional ◽  
Tddft Calculations ◽  
Theoretical Design ◽  
Organic Acceptor ◽  
Dft And Tddft Calculations

DFT and TDDFT calculations were performed to search for high-performance non-fullerene organic acceptor materials in organic solar cells.

Benzotriazacycle Cored Perylene Diimide Non-fullerene Acceptors for High-performance Organic Solar Cells

2021 ◽  
Vol 01 ◽  
Author(s):  
Min Deng ◽  
Zhenkai Ji ◽  
Xiaopeng Xu ◽  
Liyang Yu ◽  
Qiang Peng
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
High Performance ◽  
Energy Levels ◽  
Three Dimensional ◽  
Molecular Structures ◽  
Perylene Diimide ◽  
Photon Absorption ◽  
Optoelectronic Property ◽  
Design Synthesis

Background: Perylene diimide (PDI) is among the most investigated non-fullerene electron acceptor for organic solar cells (OSCs). Constructing PDI derivatives into three-dimensional propeller-like molecular structures is not only one of the viable routes to suppress the over aggregation tendency of the PDI chromophores, but also raises possibilities to tune and optimize the optoelectronic property of the molecules. Objective: In this work, we reported the design, synthesis, and characterization of three electron-accepting materials, namely BOZ-PDI, BTZ-PDI, and BIZ-PDI, each with three PDI arms linked to benzotrioxazole, benzotrithiazole, and benzotriimidazole based center cores, respectively. Method: The introduction of electron-withdrawing center cores with heteroatoms does not significantly complicate the synthesis of the acceptor molecules but drastically influences the energy levels of the propeller-like PDI derivatives. Result: The highest power conversion efficiency was obtained with benzoxazole-based BOZ-PDI reaching 7.70% for its higher photon absorption and charge transport ability. Conclusion: This work explores the utilization of electron-withdrawing cores with heteroatoms in the propeller-like PDI derivatives, which provides a handy tool to construct high-performance non-fullerene acceptor materials.

Sign in / Sign up

Export Citation Format

Share Document