Topic
Pentacene
About: Pentacene is a research topic. Over the lifetime, 5051 publications have been published within this topic receiving 161481 citations. The topic is also known as: 2,3:6,7-dibenzanthracene & benzo[b]naphthacene.
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TL;DR: The synthesis and characterization of a series of alkoxy-substituted silylethynylated pentacene derivatives, which are easily prepared, soluble in common organic solvents, and stable both as solids and in solution.
112 citations
TL;DR: In this paper, the spectral photoresponse of Al/pentacene Schottky junction photodiodes and optical absorption spectra of pentacene films thermally evaporated on glass were measured.
Abstract: We have measured the spectral photoresponse of Al/pentacene Schottky junction photodiodes and optical absorption spectra of pentacene films thermally evaporated on glass. The photoelectric response exhibited the genuine highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) transition at 1.97 eV and interband absorption peaks at 2.3 and 2.5 eV. These peaks are also identified in the optical absorption spectra, but they are dominated by additional strong exciton peaks at 1.82 and 2.1 eV. By comparing these complementary measurements, we determine the HOMO–LUMO gap energy of 1.97 eV and the fundamental exciton binding energy of 0.15 eV for thin solid pentacene.
112 citations
TL;DR: In this article, the authors present a process which uses a dry organic encapsulant (parylene) as a boundary layer between an organic semiconductor (pentacene) and photolithographic chemicals.
Abstract: Organic semiconductors have demonstrated excellent electrical performance, in some cases rivaling inorganic systems in use today. These materials, which are processed at or near room temperature, have attracted considerable interest because they would enable the creation of active circuitry on organic substrates leading to a new generation of displays, rf identification systems, and smartcards. Many of these materials are intolerant to wet processing, however. This has led to a major processing limitation: the lack of a subtractive photolithographic patterning process to define active regions of the semiconductor. This article presents a process which uses a dry organic encapsulant (parylene) as a boundary layer between an organic semiconductor (pentacene) and photolithographic chemicals. Traditional photolithography may then be performed to use a dry etch to pattern the material stack. This process, which is fully subtractive, opens the path to the use of these materials in a wide range of applications.
112 citations
TL;DR: In this article, the orientational dependence of charge carrier mobilities in organic semiconductor crystals and the correlation with the crystal structure are investigated by means of quantum chemical first principles calculations combined with a model using hopping rates from Marcus theory.
Abstract: The orientational dependence of charge carrier mobilities in organic semiconductor crystals and the correlation with the crystal structure are investigated by means of quantum chemical first principles calculations combined with a model using hopping rates from Marcus theory. A master equation approach is presented which is numerically more efficient than the Monte Carlo method frequently applied in this context. Furthermore, it is shown that the widely used approach to calculate the mobility via the diffusion constant along with rate equations is not appropriate in many important cases. The calculations are compared with experimental data, showing good qualitative agreement for pentacene and rubrene. In addition, charge transport properties of core-fluorinated perylene bisimides are investigated.
112 citations
TL;DR: TPA-AC3 with an anthracene moiety is expected to be a promising dye with desirable energetic and spectroscopic parameters in the DSSC field, which is consistent with recent experimental work.
Abstract: A series of metal-free acene-modified triphenylamine dyes (benzene to pentacene, denoted as TPA-AC1 to TPA-AC5) are investigated as organic sensitizers for application in dye-sensitized solar cells (DSSCs). A combination of density functional theory (DFT), density functional tight-binding (DFTB), and time-dependent DFT (TDDFT) approaches is employed. The effects of acene units on the spectra and electrochemical properties of the acene-modified TPA organic dyes are demonstrated. The dye/(TiO2)46 anatase nanoparticle systems are also simulated to show the electronic structures at the interface. The results show that from TPA-AC1 to TPA-AC5 with increasing sizes of the acenes, the absorption and fluorescence spectra are systematically broadened and red-shifted, but the oscillator strength and electron injection properties are reduced. The molecular orbital contributions show increasing localization on the bridging acene units from TPA-AC1 to TPA-AC5. From the theoretical examination of some key parameters including free enthalpy related to the electron injection, light-harvesting efficiency, and the shift of semiconductor conduction band, TPA-AC3 with an anthracene moiety demonstrates a balance of the above crucial factors. TPA-AC3 is expected to be a promising dye with desirable energetic and spectroscopic parameters in the DSSC field, which is consistent with recent experimental work. This study is expected to deepen our understanding of TPA-based organic dyes and assist the molecular design of new metal-free dyes for the further optimization of DSSCs.
112 citations