Highly Sensitive Ultraviolet Light Sensor Based on Photoactive Organic Gate Dielectrics with an Azobenzene Derivative

Lee, Kang Eun; Lee, Jea Uk; Seong, Dong Gi; Um, Moon‐Kwang; Lee, Wonoh

doi:10.1021/acs.jpcc.6b08427

Cited by 38 publications

(31 citation statements)

References 35 publications

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“…This F matrix is similar to the F matrices used in other contracted basis calculations for [53,69], CH 4 [67], CH + 5 [68]. All these F matrices have indices that label eigenfunctions of a Hamiltonian that depends on a subset of the coordinates (here…”

Section: If One Evaluatesvmentioning

confidence: 92%

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

Wang

Carrington

2018

The Journal of Chemical Physics

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We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

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Section: If One Evaluatesvmentioning

confidence: 92%

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

Wang

Carrington

2018

The Journal of Chemical Physics

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“…Following preliminary estimations of Fleurat-Lessard et al [54], this "reef" feature was incorporated into a so-called "hybrid PES" by Babikov et al [38] by introducing a 1D semiempirical correction to the three-dimensional Siebert-Schinke-Bittererova (SSB) [44,45] PES with empirical adjustments to match the experimental dissociation energy. This modified mSSB surface containing a shallow van der Waals (vdW) minimum along the dissociation reaction coordinate around r 1 ∼ 4.5−5.0 a 0 has been used to study the metastable states [38] and also suggested the existence of van der Waals bound states [55][56][57][58]. A detailed review of ozone investigations up to this stage has been presented in the "Status report of the dynamical studies of the ozone isotope effect" by Schinke et al [1] who concluded that the calculated rate constants were about 3-5 times smaller than the measured ones and had a wrong temperature dependence.…”

Section: Introductionmentioning

confidence: 99%

Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in a full-symmetry approach

et al. 2016

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Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of 16 O 3 were determined using a previously-developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently-computed potential energy surface of ozone determined with a spectroscopic accuracy [J. Chem. Phys. 139, 134307 (2013)]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O 3 is discussed in detail. Correspondence between quantum numbers appropriate for short-and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational (J = 0) levels of 16 O 3 and 18 O 3 , both made of bosons with zero nuclear spin, cannot dissociate on the ground state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue 16 O 3 with rotational angular momentum J = 0 and 1 up to the dissociation threshold were also computed. For bound levels, good agreement with experimental energies is found:The RMS deviation between observed and calculated vibrational energies is 1 cm −1 . Rotational constants were determined and used for a simple identification of vibrational modes of calculated levels.

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“…Ultraviolet (UV) photodetectors based on various organic semiconductors have been achieved for broad applications toward environmental monitoring, biological analysis, image sensing, and optical communication 23–27 . In particular, UV photodetectors based on photoresponsive materials are highly attractive owing to their direct optical and electrical engineering of semiconductor layers, which have been applied for the multifunctional optoelectronic devices 28–31 . For optical operation of UV photodetectors, organic photochromic materials exhibit high optical response and tunable photosensitivity, which can be easily harnessed to modulate physicochemical properties by photovoltaic and photoisomerization effects within an individual system.…”

Section: Introductionmentioning

confidence: 99%

Optical and electrical modulation in ultraviolet photodetectors based on organic one‐dimensional photochromic arrays

Geng

Zhao

et al. 2021

SmartMat

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Organic photochromic materials have drawn considerable attention for their potential applications in large‐scale and low‐cost optoelectronics owing to unique tunable physicochemical properties. For organic photodetectors, photochromic materials have realized optical and electrical engineering of semiconductor layers, which incorporate not only tunable performance, but also functionalities to optoelectronic devices. However, the essential challenge is to assemble large‐area photochromic micro‐ and nanostructure arrays with controllable geometry and precise alignment, which restricts the integration of multifunctional optoelectronic devices. Herein, we fabricate organic photochromic one‐dimensional (1D) arrays via a feasible solution process through the confined crystallization of organic molecules. By modulating and controlling the photoisomerization behaviors, these 1D photochromic arrays possess broad spectral tunability, which ensure tunable photoresponse. Furthermore, we investigate the crystallographic transition and electronic performance variation of these 1D photochromic arrays. By adjusting the dwell time of ultraviolet (UV) irradiation, the UV photochromic photodetectors realize tunable and repeatable responsivity from 85.6 to 0.709 mA/W. Our work provides new possibilities for optical and electrical engineering of photochromic microwires towards the integration of multifunctional optoelectronic devices.

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Highly Sensitive Ultraviolet Light Sensor Based on Photoactive Organic Gate Dielectrics with an Azobenzene Derivative

Cited by 38 publications

References 35 publications

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in a full-symmetry approach

Optical and electrical modulation in ultraviolet photodetectors based on organic one‐dimensional photochromic arrays

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