Applications

Ferraro, John R.

doi:10.1016/b978-0-12-253990-9.50008-2

Cited by 52 publications

(72 citation statements)

References 97 publications

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“…20,21 It is interesting to notice that there is no reported Raman spectrum of PC 70 BM molecules. PC 70 BM is technically important as it can increase the light absorption in visible energy range and it has been used to fabricate some of the most efficient organic solar cells up to date.…”

mentioning

confidence: 99%

In-situ monitoring of molecular vibrations of two organic semiconductors in photovoltaic blends and their impact on thin film morphology

Zhang

Hollis

Suh

et al. 2013

Applied Physics Letters

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We report in-situ simultaneous monitoring of molecular vibrations of two components in organic photovoltaic blends using resonant Raman spectroscopy. Blend films were composed of a low bandgap copolymer thieno[3,2-b]thiophene-diketopyrrolopyrrole (DPPTTT) and (6,6)-phenyl-C71-butyric acid ester (PC 70BM). Changes in Raman spectra associated with crystallization processes of each component and their impact on thin film morphology were studied during thermal annealing and cooling processes. Transition temperatures to crystalline phases in blends were measured at ∼150 °C and ∼170 °C for DPPTTT and PC 70BM, respectively. Such phase changes lead to modifications in local chemical composition reducing relative Raman peak intensities (IPC70BM/IDPPTTT) from ∼0.4 in PC 70BM-rich domains to ∼0.15 in homogeneous areas

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mentioning

confidence: 99%

In-situ monitoring of molecular vibrations of two organic semiconductors in photovoltaic blends and their impact on thin film morphology

Zhang

Hollis

Suh

et al. 2013

Applied Physics Letters

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“…It is well known 18 that Raman spectroscopy is very sensitive to the electronic state of carbon, and in pure carbon, phase peaks at 1330 cm −1 (D band) and at 1600 cm −1 (G band) are often used to recognize the presence of sp 3 -and sp 2 -bonded carbon atoms, respectively. 19 We prepared the sample of sintered polycrystalline diamond by sintering diamond powder with an average 0.1 μm particles (Alfa Inc., purity 99.999%).…”

Section: Methodsmentioning

confidence: 99%

Missing-atom structure of diamondΣ5 (001) twist grain boundary

et al. 2011

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We carried out a combined experimental and theoretical study of grain boundaries in polycrystalline diamond, aimed at achieving the conditions in which grain boundaries are equilibrated. Raman spectra of compacted at high-pressure and high-temperature diamond powders allow us to identify signals from sp 2 -bonded atoms, in addition to a strong peak at 1332 cm −1 , corresponding to sp 3 -bonded carbon. To verify our interpretation of the experiment, 5 (001) twist grain boundaries of polycrystalline diamond were studied by means of molecular dynamics simulations using the technique proposed by von Alfthan et al. [Phys. Rev. Lett. 96, 055505 (2006)]. We find that grain-boundary (GB) configurations, from which one atom is removed, have significantly lower energy compared to those obtained with conventional techniques. These calculated GBs are highly ordered, a few monolayers thick, in agreement with experimental observations, and are primarily sp 2 bonded. This paper underlines the importance of varying the number of atoms within GBs in molecular dynamics simulations to correctly predict the GB ground-state structure.

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“…The selection rule of n = 1, 3 for a mixed quartic-quadratic oscillator appears to contradict the empirical selection rule of n = 1 (for IR) and n = 2 (for Raman), which is given in a standard textbook on Raman spectroscopy. 21 Presumably, it has been possible to observe features associated with n = 2 transitions in Raman spectra of mixed quartic-quadratic oscillators, on account of an appreciable degree of electrical anharmonicity, i.e. a non-negligible third term in Equation (3).…”

Section: Selection Rule For a Mixed Quartic-quadratic Oscillatormentioning

confidence: 99%

<title>Mixed quartic-harmonic oscillators: a study of the ring puckering vibration of a cyclic amino acid dimer</title>

et al. 2001

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A band at ca. 150 cm -1 in the far infrared spectrum of diketopiperazine (DKP) is assigned to a ring puckering vibration. The multiplet structure reported for this band in the low temperature (77 K) far IR spectrum can be interpreted if the vibration is assumed to have quartic character. By means of RayleighSchrödinger perturbation theory, a new vibrational selection rule, n = 1, 3, has been derived for mixed quartic-quadratic vibrations in the near harmonic region for the case of zero electrical anharmonicity. Assignments of the multiplet components have been made in the light of this vibrational selection rule. A two-parameter potential energy function of the ring puckering coordinate has been derived for the DKP molecule. This has enabled a value of ca. 355 cm -1 to be estimated for the energy barrier to interconversion of enantiomeric boat forms of DKP. The 0-1 transition has been estimated to have a wavenumber value of 0.033 cm -1 (1 GHz) in excellent agreement with the value of 1 GHz obtained from a gas phase microwave spectroscopic study.

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Applications

Cited by 52 publications

References 97 publications

In-situ monitoring of molecular vibrations of two organic semiconductors in photovoltaic blends and their impact on thin film morphology

In-situ monitoring of molecular vibrations of two organic semiconductors in photovoltaic blends and their impact on thin film morphology

Missing-atom structure of diamondΣ5 (001) twist grain boundary

<title>Mixed quartic-harmonic oscillators: a study of the ring puckering vibration of a cyclic amino acid dimer</title>

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