Optical properties of a conjugated-polymer-sensitised solar cell: the effect of interfacial structure
Literature Information
A. Bilic, Y. Tachibana, A. Miller, S. P. Russo
Dye-sensitised solar cells (DSSCs) have sparked considerable interest over two decades. Recently, a method of polymer-wire sensitisation was demonstrated; the polymer is suggested to form a hole transport pathway (wire) following initial charge separation. We predict the optical properties of this polymer in various interfacial configurations, including the effects of chain length and attachment to {100} or {101} TiO2 facets. Contrary to most DSSCs, the {100} facet model best describes the experimental spectrum, predicting a relative thickness of 5.7 ± 0.2 μm, although {101} attachment, if implemented, may improve collection efficiency. Long chains are optimal, and stable attachment sites show minimal differences to absorbance in the major solar emission (visible) band. Combinations of {100}, {101}, and pseudo-bulk TiO2 models in three-parameter fits to experiment confirm the relative importance of the {100} facet.
Related Literature
First-principles study of rocksalt early transition-metal carbides as potential catalysts for Li–O2 batteries
Yingying Yang, Yuelin Wang, Man Yao, Xudong Wang, Hao Huang
DOI: 10.1039/C8CP06745G
Tuning the photoreactivity of Z-hexatriene photoswitches by substituents – a non-adiabatic molecular dynamics study
Enrico Tapavicza, Travis Thompson, Kenneth Redd, Dan Kim
DOI: 10.1039/C8CP05181J
Shape dependence of thermodynamics of adsorption on nanoparticles: a theoretical and experimental study
Zi-xiang Cui, Ya-nan Feng, Yong-qiang Xue, Juan Zhang, Rong Zhang, Jie Hao, Jia-yi Liu
DOI: 10.1039/C8CP04895A
Hydrogen bond network structures of protonated short-chain alcohol clusters
Asuka Fujii, Natsuko Sugawara, Po-Jen Hsu, Takuto Shimamori, Ying-Cheng Li, Toru Hamashima, Jer-Lai Kuo
DOI: 10.1039/C7CP08072G
A vacuum ultraviolet photoionization study on the formation of methanimine (CH2NH) and ethylenediamine (NH2CH2CH2NH2) in low temperature interstellar model ices exposed to ionizing radiation
Bing-Jian Sun, Yue-Lin Chen, Agnes H. H. Chang
DOI: 10.1039/C8CP06002A
TEMPO-oxidised cellulose nanofibrils; probing the mechanisms of gelation via small angle X-ray scattering
Julien Schmitt, Vincenzo Calabrese, Marcelo A. da Silva, Saskia Lindhoud, Viveka Alfredsson, Karen J. Edler
DOI: 10.1039/C8CP00355F
Supramolecular multicompartment gels formed by ABC graft copolymers: high toughness and recovery properties
Pengxiang Xu, Jiaping Lin, Liangshun Zhang
DOI: 10.1039/C8CP02062K
Anchoring of carboxyl-functionalized porphyrins on MgO, TiO2, and Co3O4 nanoparticles
Fabian Kollhoff, Johannes Schneider, Gao Li, Sami Barkaoui, Wenjie Shen, Thomas Berger, Oliver Diwald
DOI: 10.1039/C8CP04873H
Ultrafast excited-state dynamics of 2,5-dimethylpyrrole
Zhichao Chen, Zhigang He, Kaijun Yuan, Dongxu Dai, Xueming Yang, Guorong Wu
DOI: 10.1039/C8CP00883C
Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: the case of aluminogermanate PKU-9
Ricardo Grau-Crespo, Dewi W. Lewis, A. Rabdel Ruiz-Salvador
DOI: 10.1039/C8CP01369A
You might also like
How should 2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) be stored?
2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) should be stored in ...
Is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS: 132747-20-7) safe?
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide is generally considered sa...
What industries use (6-Chloropyridazin-3-YL)methanamine (CAS: 871826-15-2)?
(6-Chloropyridazin-3-YL)methanamine finds applications in the pharmaceutical ind...
What are the main uses of 2-Fluoro-3-methylphenol (CAS: 77772-72-6)?
2-Fluoro-3-methylphenol is primarily used in the synthesis of pharmaceuticals, p...
What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?
When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate...
What precautions should be taken when handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4)?
When handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4), it is ...
What regulatory guidelines apply to 4-Ethynylbenzamide (CAS: 90347-86-7)?
4-Ethynylbenzamide (CAS: 90347-86-7) falls under various regulatory guidelines i...
What are the main uses of 3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone (CAS: 186822-57-1)?
3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone is primarily used as an intermediat...
What is (2-Fluoro-6-methoxyphenyl)acetic acid (CAS: 500912-19-6)?
(2-Fluoro-6-methoxyphenyl)acetic acid, also known as 4-fluoro-3-methoxybenzoic a...
What is the market or research trend for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9)?
Market trends for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9) indicat...
Source Journal
Physical Chemistry Chemical Physics

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.













![1H-Imidazo[4,5-c]pyridine-7-carboxylic acid structure 1H-Imidazo[4,5-c]pyridine-7-carboxylic acid structure](https://static.chemtradehub.com/structs/123/1234616-39-7-1344.webp)
![Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate structure Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate structure](https://static.chemtradehub.com/structs/130/1305320-60-8-84b4.webp)