Intrinsic Properties of Two Benzodithiophene-Based Donor–Acceptor Copolymers Used in Organic Solar Cells: A Quantum-Chemical Approach

Tuuva Kastinen; Mika Niskanen; Chad Risko; Oana Cramariuc; Terttu I. Hukka

doi:10.1021/acs.jpca.5b08465

Intrinsic Properties of Two Benzodithiophene-Based Donor–Acceptor Copolymers Used in Organic Solar Cells: A Quantum-Chemical Approach

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b08465 ◽

2016 ◽

Vol 120 (7) ◽

pp. 1051-1064 ◽

Cited By ~ 5

Author(s):

Tuuva Kastinen ◽

Mika Niskanen ◽

Chad Risko ◽

Oana Cramariuc ◽

Terttu I. Hukka

Keyword(s):

Solar Cells ◽

Organic Solar Cells ◽

Quantum Chemical ◽

Intrinsic Properties ◽

Chemical Approach ◽

Donor Acceptor ◽

Quantum Chemical Approach

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Quantum-Chemical Approach to Electronic Coupling: Application to Charge Separation and Charge Recombination Pathways in a Model Molecular Donor−Acceptor System for Organic Solar Cells

The Journal of Physical Chemistry C ◽

10.1021/jp711186j ◽

2008 ◽

Vol 112 (9) ◽

pp. 3429-3433 ◽

Cited By ~ 63

Author(s):

Tsutomu Kawatsu ◽

Veaceslav Coropceanu ◽

Aijun Ye ◽

Jean-Luc Brédas

Keyword(s):

Solar Cells ◽

Organic Solar Cells ◽

Charge Separation ◽

Quantum Chemical ◽

Charge Recombination ◽

Electronic Coupling ◽

Chemical Approach ◽

Donor Acceptor ◽

Quantum Chemical Approach

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Rational design and characterization of high-efficiency planar A–π–D–π–A type electron donors in small molecule organic solar cells: A quantum chemical approach

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2014.02.027 ◽

2014 ◽

Vol 145 (3) ◽

pp. 387-396 ◽

Cited By ~ 11

Author(s):

Dongmei Wang ◽

Weilu Ding ◽

Zhiyuan Geng ◽

Li Wang ◽

Yun Geng ◽

...

Keyword(s):

Solar Cells ◽

Small Molecule ◽

Organic Solar Cells ◽

Quantum Chemical ◽

Rational Design ◽

High Efficiency ◽

Electron Donors ◽

Chemical Approach ◽

Quantum Chemical Approach

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Quantum Chemical Approach of Donor−π–Acceptor Based Arylborane–Arylamine Macrocycles with Outstanding Photovoltaic Properties Toward High-Performance Organic Solar Cells

Energy & Fuels ◽

10.1021/acs.energyfuels.1c02260 ◽

2021 ◽

Author(s):

Saba Zahid ◽

Alvina Rasool ◽

Muhammad Ans ◽

Muhammad Yaseen ◽

Javed Iqbal

Keyword(s):

Solar Cells ◽

Organic Solar Cells ◽

Quantum Chemical ◽

High Performance ◽

Photovoltaic Properties ◽

Chemical Approach ◽

Quantum Chemical Approach

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Evaluation of photovoltaic properties and effective conjugated length of DTTTD-based polymers as donor in BHJ solar cells; quantum chemical approach

Polymer ◽

10.1016/j.polymer.2017.08.044 ◽

2017 ◽

Vol 126 ◽

pp. 162-176 ◽

Cited By ~ 4

Author(s):

Azar Ostovan ◽

Zabiollah Mahdavifar ◽

Mehrdad Bamdad

Keyword(s):

Solar Cells ◽

Quantum Chemical ◽

Photovoltaic Properties ◽

Chemical Approach ◽

Quantum Chemical Approach

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The role of anchoring groups in ruthenium(II)-bipyridine sensitized p-type semiconductor solar cells—a quantum chemical approach

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/1361-6455/abb2d9 ◽

2020 ◽

Vol 53 (23) ◽

pp. 234001

Author(s):

Anik Sen ◽

Stephan Kupfer ◽

Stefanie Gräfe ◽

Axel Groβ

Keyword(s):

Solar Cells ◽

Quantum Chemical ◽

Chemical Approach ◽

Type Semiconductor ◽

Quantum Chemical Approach ◽

Anchoring Groups ◽

P Type

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Simple N-hexylcarbazole based metal free sensitizer for dye sensitized solar cells (DSSC) application – A quantum chemical approach

10.1063/1.5113196 ◽

2019 ◽

Author(s):

V. Mohankumar ◽

P. Pounraj ◽

M. Senthil Pandian ◽

P. Ramasamy

Keyword(s):

Solar Cells ◽

Quantum Chemical ◽

Dye Sensitized Solar Cells ◽

Metal Free ◽

Dye Sensitized ◽

Chemical Approach ◽

Quantum Chemical Approach ◽

Sensitized Solar Cells

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Simultaneous Optimization of Donor/Acceptor Pairs and Device Specifications for Nonfullerene Organic Solar Cells Using a QSPR Model with Morphological Descriptors

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.1c01099 ◽

2021 ◽

pp. 4980-4986

Author(s):

Yaping Wen ◽

Yunhao Liu ◽

Bohan Yan ◽

Théophile Gaudin ◽

Jing Ma ◽

...

Keyword(s):

Solar Cells ◽

Organic Solar Cells ◽

Simultaneous Optimization ◽

Morphological Descriptors ◽

Qspr Model ◽

Donor Acceptor

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Molecular structure, NBO analysis of the hydrogen-bonded interactions, Spectroscopic (FT–IR, FT–Raman), drug likeness and molecular docking of the novel anti COVID-2 molecule (2E)-N-methyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]-hydrazinecarbothioamide (Dimer) - Quantum chemical approach

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2020.119388 ◽

2020 ◽

pp. 119388

Author(s):

S.J. Jenepha Mary ◽

Sayantan Pradhan ◽

C. James

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Quantum Chemical ◽

Nbo Analysis ◽

The Novel ◽

Chemical Approach ◽

Ft Ir ◽

Quantum Chemical Approach ◽

Ft Raman ◽

Hydrogen Bonded

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Inhibitory action of Macaranga peltata leaves extract on the corrosion of mild steel in 0.5 M sulphuric Acid- Quantum chemical approach

Materials Today Proceedings ◽

10.1016/j.matpr.2021.03.446 ◽

2021 ◽

Author(s):

K.K. Athul ◽

P. Thilagavathy ◽

D. Nalini

Keyword(s):

Mild Steel ◽

Sulphuric Acid ◽

Quantum Chemical ◽

Inhibitory Action ◽

Chemical Approach ◽

Quantum Chemical Approach

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Triphenylamine based donor-acceptor-donor type small molecules for organic solar cells

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113176 ◽

2021 ◽

Vol 1198 ◽

pp. 113176

Author(s):

Sadaf Bibi ◽

Rasheed Ahmad Khera ◽

Afifa Farhat ◽

Javed Iqbal

Keyword(s):

Solar Cells ◽

Small Molecules ◽

Organic Solar Cells ◽

Donor Type ◽

Donor Acceptor

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