Density functional investigation and some optical experiments on dye-sensitized quantum dots
Literature Information
Kalpna Jain, Sreejith Kaniyankandy, Shyam Kishor, Ida Josefsson, Hirendra N. Ghosh, Khundrakpam S. Singh, Sumit Mookerjee, Michael Odelius, Lavanya M. Ramaniah
Dye-sensitized quantum dots (QDs) are promising candidates for dye-sensitized solar cells (DSSCs). Here, we report steady state (absorption and photoluminescence) optical measurements on several sizes of CdS QDs ligated with Coumarin 343 dye (C-343) and two different solvents, viz., chloroform and toluene. We further report detailed first principles density functional theory and time-dependent density functional theory studies of the geometric, electronic and optical (absorption and emission) properties of three different sized capped QDs, ligated with C-343 dye. The absorption spectrum shows a QD-size-independent peak, and another peak which shifts to blue with decrease in QD size. The first peak is found to arise from the dye molecule and the second one from the QD. Charge transfer using natural transition orbitals (NTOs) is found to occur from dye-to-QDs and is solvent-dependent. In the emission spectra, the luminescence intensity of the dye is quenched by the addition of the QD indicating a strong interaction between the QD and the dye.
Related Literature
On the role of singlet versus triplet excited states in the uncaging of ortho-nitrobenzyl caged compounds
Jan-Michael Mewes, Andreas Dreuw
DOI: 10.1039/C3CP44338H
Recovering degraded quasi-solid-state dye-sensitized solar cells by applying electrical pulses
Xi Zhang, Xuezhen Huang
DOI: 10.1039/C3CP51071A
An oxygen pumping anode for electrowinning aluminium
Changqing Liu, Xiaobo Ji, Pingmin Zhang, Qiyuan Chen, Craig E. Banks
DOI: 10.1039/C3CP44171G
Synthesis of low-cost, rubbery amphiphilic comb-like copolymers and their use in the templated synthesis of mesoporous TiO2 films for solid-state dye-sensitized solar cells
Dong Jun Kim, Sang Jin Kim, Dong Kyu Roh, Jong Hak Kim
DOI: 10.1039/C3CP44308F
Small-angle water reorientations in KOH doped hexagonal ice and clathrate hydrates
B. Geil
DOI: 10.1039/C3CP00139C
Spectroscopic and theoretical investigations of adenosine 5′-diphosphate and adenosine 5′-triphosphate dianions in the gas phase
Paul E. Crider, Matthias Vonderach, Patrick Weis
DOI: 10.1039/C2CP43808A
Experimental visualization of the Bi–O covalency in ferroelectric bismuth ferrite (BiFeO3) by synchrotron X-ray powder diffraction analysis
Kotaro Fujii, Hiroki Kato, Kazuki Omoto, Jun Chen, Xianran Xing
DOI: 10.1039/C3CP50236H
Ultrafast photoinduced dynamics of halogenated cyclopentadienes: observation of geminate charge-transfer complexes in solution
T. J. A. Wolf, R. Radloff, P. Lang, A. Stolow, A.-N. Unterreiner
DOI: 10.1039/C3CP44295K
Rovibrational states of ClHCl− isotopologues up to high J: a joint theoretical and spectroscopic investigation
Peter Sebald, Rainer Oswald, Peter Botschwina, Kentarou Kawaguchi
DOI: 10.1039/C3CP44236E
You might also like
What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?
N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...
What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?
When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...
What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?
Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...
What is the market or research trend for oxocopper (CAS: 12053-18-8)?
The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...
What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?
The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...
What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?
2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...
What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?
2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...
How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?
(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...
What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?
3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...
How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?
Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...
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.










![5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione structure 5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione structure](https://static.chemtradehub.com/structs/251/251903-00-1-9cb1.webp)



![1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one structure 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one structure](https://static.chemtradehub.com/structs/603/60373-71-9-7dfb.webp)