Investigations on the charge transfer mechanism at donor/acceptor interfaces in the quest for descriptors of organic solar cell performance

Literature Information

Publication Date 2018-04-04
DOI 10.1039/C8CP01253A
Impact Factor 3.676
Authors

Kenji Mishima, Hiroki Matsunaga


View Original

Abstract

Herein, we theoretically and experimentally investigated the mechanisms of charge separation processes of organic thin-film solar cells. PTB7, PTB1, and PTBF2 have been chosen as donors and PC71BM has been chosen as an acceptor considering that effective charge generation depends on the difference between the material combinations. Experimental results of transient absorption spectroscopy show that the hot process is a key step for determining external quantum efficiency (EQE) in these systems. From the quantum chemistry calculations, it has been found that EQE tends to increase as the transferred charge, charge transfer distance, and variation of dipole moments between the ground and excited states of the donor/acceptor complexes increase; this indicates that these physical quantities are a good descriptor to assess the donor–acceptor charge transfer quality contributing to the solar cell performance. We propose that designing donor/acceptor interfaces with large values of charge transfer distance and variation of dipole moments of the donor/acceptor complexes is a prerequisite for developing high-efficiency polymer/PCBM solar cells.

Related Literature

Front cover

Cover

DOI: 10.1039/C1CP90124A

Structures, spectroscopic properties and redox potentials of quaterpyridyl Ru(ii) photosensitizer and its derivatives for solar energy cell: a density functional study

Qing-Jiang Pan, Yuan-Ru Guo, Li Li, Samuel O. Odoh, Hong-Gang Fu, Hong-Xing Zhang

2011-07-07 Paper

DOI: 10.1039/C1CP00030F

Light-induced isomerization dynamics of a cyanine dye in the modulus-controlled regime

Ah-Young Jee, Seohyun Park, Minyung Lee

2011-07-18 Paper

DOI: 10.1039/C1CP20835G

Ionic liquids and oligomer electrolytes based on the B(CN)4− anion; ion association, physical and electrochemical properties

Johan Scheers, Jagath Pitawala, Frederic Thebault, Jae-Kwang Kim, Jou-Hyeon Ahn, Aleksandar Matic, Per Jacobsson

2011-07-21 Paper

DOI: 10.1039/C1CP21062A

Synthesis of Ge-imogolite: influence of the hydrolysis ratio on the structure of the nanotubes

L. Olivi, C. Dominici, F. Ziarelli

2011-07-12 Paper

DOI: 10.1039/C1CP20346K

Photoinduced work function changes by isomerization of a densely packed azobenzene-based SAM on Au: a joint experimental and theoretical study

N. Crivillers, A. Liscio, F. Di Stasio, C. Van Dyck, S. Osella, D. Cornil, S. Mian, G. M. Lazzerini, O. Fenwick, E. Orgiu, F. Reinders, S. Braun, M. Fahlman, J. Cornil, V. Palermo, F. Cacialli, P. Samorì

2011-06-22 Paper

DOI: 10.1039/C1CP20851A

Electron-beam evaporated silicon as a top contact for molecular electronic device fabrication

Rajesh Kumar, Haijun Yan, Adam Johan Bergren

2011-06-23 Paper

DOI: 10.1039/C1CP20755E

Self-doping of molecular quantum-dot cellular automata: mixed valence zwitterions

Yuhui Lu, Craig Lent

2011-07-14 Paper

DOI: 10.1039/C1CP21332F

A theoretical study of pure and mixed caesium clusters and cluster ions, CslHmO 0/+n, l ≤ 5: geometry, energetics and photofragmentation

Sebastian Krapf, Maria Schill, Sebastian Krötz, Thorsten Koslowski

2011-07-14 Paper

DOI: 10.1039/C1CP21274E

Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study

Yufang Liu, Kai Jiang, Deheng Shi, Jinfeng Sun

2011-07-25 Paper

DOI: 10.1039/C1CP20729F

You might also like

155412-88-71-(3-Aminophenyl)-3-...
Compound Q&A

How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?

Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...

19132-12-81-(D-Ribofuranosyl)-...
Compound Q&A

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?

2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...

2007919-81-32-Methyl-2-propanyl ...
Compound Q&A

What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?

N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...

245056-66-0N-(4-Chloro-2-pyridi...
Compound Q&A

What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?

5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...

321-14-25-Chloro-2-hydroxybe...
Compound Q&A

What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?

When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...

1717-00-61,1-Dichloro-1-fluor...
Compound Q&A

What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?

Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...

281655-32-1Fmoc-(2S,3R)-3-pheny...
Compound Q&A

What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?

4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...

1363381-01-44-Amino-5-bromo-2-py...
1007881-98-2(S)-tert-butyl 2-((2...
Compound Q&A

What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?

When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...

688363-73-78-bromo-2,2-dimethyl...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.