Singlet Exciton Fission for Solar Cell Applications Energy Aspects of Interchromophore Coupling

Date

2010-11-01

Author

Greyson, Eric C.
Stepp, Brian R.
Chen, Xudong
Schwerin, Andrew F.
Paci, Irina
Smith, Millicent B.
Akdağ, Akın
Johnson, Justin C.
Nozik, Arthur J.
Michl, Josef
Ratner, Mark A.

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

139
views

0
downloads

Singlet exciton fission, a process that converts one singlet exciton to a pair of triplet excitons has the potential to enhance the efficiency of both bulk heterojunction and dye-sensitized solar cells and is understood in crystals but not well understood in molecules Previous studies have identified promising building blocks for singlet fission in molecular systems but little work has investigated how these individual chromophores should be combined to maximize triplet yield We consider the effects of chemically connecting two chromophores to create a coupled chromophore pair and compute how various structural choices alter the thermodynamic and kinetic parameters likely to control singlet fission yield We use density functional theory to compute the electron transfer matrix element and the thermodynamics of fission for several promising chromophore pairs and find a trade-off between the desire to maximize this element and the desire to keep the singlet fission process exoergic We identify promising molecular systems for singlet fission and suggest future experiments

Subject Keywords

Pi-electron states, Tetracene crystals, Magnetic-field, Triplet excitons, Fusion, Fluorescence, Anthracene, Temperature, Excitations, Generation

URI

https://hdl.handle.net/11511/52385

Journal

JOURNAL OF PHYSICAL CHEMISTRY B

DOI

https://doi.org/10.1021/jp909002d

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

Angle of graph energy - A spectral measure of resemblance of isomeric molecules Gutman, I; Türker, Burhan Lemi (2003-11-01) A method, elaborated earlier by one of the present authors, for measuring the structural resemblance of isomeric alternant conjugated hydrocarbons, based on a graph-spectral quantity theta, called the angle of total pi-electron energy approach has been extended now to arbitrary molecules. Some general properties of theta have been established.
Sorption of As(V) from waters using chitosan and chitosan-immobilized sodium silicate prior to atomic spectrometric determination Boyacı, Ezel; Shahwan, Talal (2010-01-15) A natural biosorbent containing amine functional groups, chitosan, and a novel sorbent, chitosan-immobilized sodium silicate, were prepared and utilized for the selective sorption of As(V) from waters prior to its determination by atomic spectrometric techniques, namely, hydride generation atomic absorption spectrometry (HGAAS) and inductively coupled plasma mass spectrometry (ICP-MS). Chitosan was synthesized from chitin and sodium silicate was used as the immobilization matrix due to its straightforward s...
ELECTROINITIATED POLYMERIZATION OF ACROLEIN BY DIRECT AND INDIRECT ELECTRON-TRANSFER VIA CONTROLLED POTENTIAL ELECTROLYSIS Toppare, Levent Kamil; Akbulut, Ural (Informa UK Limited, 1990-01-01) Electroinitiated polymerization of acrolein has been achieved by controlled potential electrolysis at the reduction peak potential of the monomer for direct electron transfer. Kinetics and type of mechanism of the polymerization have been investigated. the structure of the polymer has also been examined by IR spectroscopy. in a separate experiment, a small amount of CCI4 was added to a polymerization system. Since the reduction peak potential of CCI4 appears at a more anodic region than that of acrolein on ...
Phase transition of chemically synthesized FePt nanoparticles under high pressure ŞİMŞEK, TELEM; Karci, Ozgur; ÖZCAN, ŞADAN (The Scientific and Technological Research Council of Turkey, 2018-01-01) We present the results of a study related to phase transformation of chemically synthesized FePt nanoparticles under high pressure from face-centered cubic into face-centered tetragonal structure. As-synthesized nanoparticles are around 4.5 nm and show superparamagnetic behavior at 300 K. After annealing under 60 bar pressure of hydrogen at 400 degrees C for 2 h, nanoparticles exhibit strong ferromagnetic behavior with 5391 Oe coercivity. Results show that high-pressure annealing lowers the decomposition te...
Eigensolution, expectation values and thermodynamic properties of the screened Kratzer potential Ikot, A. N.; Okorie, U. S.; Sever, Ramazan; Rampho, G. J. (Springer Science and Business Media LLC, 2019-08-12) Within the framework of non-relativistic quantum mechanics via the Nikiforov-Uvarov (NU) method, we obtained the energy eigenvalues and the corresponding normalized eigenfunctions of a newly proposed screened Kratzer potential for lithium hydride (LiH) and hydrogen chloride (HCl) diatomic molecules. With the help of the Hellman-Feynman theorem, the expressions for the expectation values of the square of inverse of position, r(-2), inverse of position, r(-1), kinetic energy, T, and square of momentum, p(2), ...

Citation Formats

E. C. Greyson et al., “Singlet Exciton Fission for Solar Cell Applications Energy Aspects of Interchromophore Coupling,” JOURNAL OF PHYSICAL CHEMISTRY B, pp. 14223–14232, 2010, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/52385.