Opto-Electrical Properties of Composite Materials Based on Two Benzotrithiophene Copolymers and Fullerene Derivatives

Two donor–acceptor copolymers based on a benzotrithiophene acceptor unit and an electron-donor segment of 4,8-didodecyloxybenzo[1,2-b;4,5-b′]dithiophene were investigated in the view of photovoltaic application. We provided the complete synthesis procedure supported with NMR spectra of the monomers obtained. The resulting copolymers, labeled P1 and P2 in this work, exhibit strong absorption in the visible region with a similar band gap of about 2.2 eV. In spite of the chemical similarity of both copolymers, the photovoltaic and carrier transport properties of the P1- and P2-based devices demonstrated a noticeable difference. Applying an optimization procedure, a power conversion efficiency of 4.6% has been achieved for the P2/PC71BM solar cells.

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Ambipolar carrier transport properties in a built-in donor–acceptor discogen

Organic Electronics ◽

10.1016/j.orgel.2013.04.044 ◽

2013 ◽

Vol 14 (8) ◽

pp. 2065-2070 ◽

Cited By ~ 5

Author(s):

Li-Yin Chen ◽

Fei-Hsiung Chien ◽

Yen-Wei Liu ◽

Wenjun Zheng ◽

Cheng-Yan Chiang ◽

...

Keyword(s):

Transport Properties ◽

Carrier Transport ◽

Donor Acceptor ◽

Carrier Transport Properties

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The theoretical investigation of the opto-electronic properties of designed molecules having 2-(2-Methylene-3-oxo-indane-1-ylidene)malononitrile as end-capped acceptors

Zeitschrift für Physikalische Chemie ◽

10.1515/zpch-2019-1523 ◽

2020 ◽

Vol 235 (6) ◽

pp. 785-804

Author(s):

Amina Tariq ◽

Hina Ramzan ◽

Syed Waqas Ahmad ◽

Ijaz Ahmad Bhatti ◽

Maryam Ajmal ◽

...

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Visible Region ◽

Potential Surfaces ◽

Functional Theory ◽

Photovoltaic Application ◽

High Ionization ◽

Donor Acceptor ◽

Electron Transportation ◽

Reorganization Energies

Abstract Five acceptor-donor-acceptor molecules having different core units with 2-(2-Methylene-3-oxo-indane-1-ylidene)malononitrile as end capped terminal acceptor unit were designed. The ground state geometries and electronic properties were calculated by using density functional theory (DFT) at MPW1PW91/6-31G(d,p) level of theory. The absorption spectra were computed by using time dependent DFT at MPW1PW91/6-31G(d,p) level of theory. The designed molecules have broad absorption range in visible region. M3 shows relatively lower band gap so that having high light harvesting efficiency (LHE). The molecules consider as better hole blocking materials in term of high ionization potentials. The reorganization energies calculation of M1, M2 and M4 manifests that these molecules are the optimal candidate for electron transportation. High value of Voc has been observed for molecules which would favorably contribute in power conversion efficiency. M1, M2, M4 and M5 are more stable in terms of absolute hardness and electrostatic potential surfaces. All molecules show good opto-electronic properties in the aspect of their use in photovoltaic application.

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Alkoxy functionalized benzothiadiazole based donor–acceptor conjugated copolymers for organic field-effect transistors

Journal of Materials Chemistry C ◽

10.1039/d1tc00079a ◽

2021 ◽

Author(s):

Marc Comí ◽

Dhananjaya Patra ◽

Rui Yang ◽

Zhihui Chen ◽

Alexandra Harbuzaru ◽

...

Keyword(s):

Charge Carrier ◽

Transport Properties ◽

Field Effect ◽

Carrier Transport ◽

Field Effect Transistors ◽

Charge Carrier Transport ◽

Organic Field Effect Transistors ◽

Donor Acceptor ◽

Optoelectronic Applications ◽

Carrier Transport Properties

Benzothiadiazole (BT) and its derivatives have been widely used as strong acceptors for enhancing π-stacking and improving the charge carrier transport properties in optoelectronic applications.

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Spatially separated donor-acceptor design of host materials for independent control of photophysical properties and carrier transport properties

Synthetic Metals ◽

10.1016/j.synthmet.2015.11.034 ◽

2016 ◽

Vol 215 ◽

pp. 121-126

Author(s):

Inho Lee ◽

Sang Kyu Jeon ◽

Jun Yeob Lee

Keyword(s):

Transport Properties ◽

Carrier Transport ◽

Photophysical Properties ◽

Independent Control ◽

Host Materials ◽

Donor Acceptor ◽

Carrier Transport Properties

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The theoretical investigation of the opto-electronic properties of designed molecules having 2-(2-Methylene-3-oxo-indane-1-ylidene)malononitrile as end-capped acceptors

Zeitschrift für Physikalische Chemie ◽

10.1515/zpc-2019-1523 ◽

2020 ◽

Vol 0 (0) ◽

Author(s):

Amina Tariq ◽

Hina Ramzan ◽

Syed Waqas Ahmad ◽

Ijaz Ahmad Bhatti ◽

Maryam Ajmal ◽

...

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Visible Region ◽

Potential Surfaces ◽

Functional Theory ◽

Photovoltaic Application ◽

High Ionization ◽

Donor Acceptor ◽

Electron Transportation ◽

Reorganization Energies

AbstractFive acceptor-donor-acceptor molecules having different core units with 2-(2-Methylene-3-oxo-indane-1-ylidene)malononitrile as end capped terminal acceptor unit were designed. The ground state geometries and electronic properties were calculated by using density functional theory (DFT) at MPW1PW91/6-31G(d,p) level of theory. The absorption spectra were computed by using time dependent DFT at MPW1PW91/6-31G(d,p) level of theory. The designed molecules have broad absorption range in visible region. M3 shows relatively lower band gap so that having high light harvesting efficiency (LHE). The molecules consider as better hole blocking materials in term of high ionization potentials. The reorganization energies calculation of M1, M2 and M4 manifests that these molecules are the optimal candidate for electron transportation. High value of Voc has been observed for molecules which would favorably contribute in power conversion efficiency. M1, M2, M4 and M5 are more stable in terms of absolute hardness and electrostatic potential surfaces. All molecules show good opto-electronic properties in the aspect of their use in photovoltaic application.

Download Full-text