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We have studied H‐bonded structural rearrangement in the S0, S1, and D0 states of neutral and cationic aniline+(H2O)n (n = 0–12) clusters by adopting density functional (DFT) and time‐dependent DFT (TD‐DFT) theory. DFT‐calculated structural rearrangement energies (SRE) increased sharply for n = 1, 2, remained nearly the same until n = 9, and increased again from n = 10 to larger clusters. This indicates that the intramolecular vibrational modes play a central role in the rearrangement energy. On the other hand, DFT‐calculated thermochemical data confirmed that there is no significant change in enthalpy (H), Gibb's free energy (G), and entropy (S) for neutral and ionized clusters. The maximum UV absorption wavelength, λmax red‐shifted gradually with the increase of cluster size with respect to aniline as the hydration reduces the excitation energies. On the other hand, there was no significant change in the highest occupied molecular orbital (HOMO)‐lowest unoccupied molecular orbital (LUMO) energy gap. [ABSTRACT FROM AUTHOR]

Photodissociation spectroscopy of mono‐hydrated aniline dimer (An2W+) cation was performed to determine its most stable structure and the charge resonance (CR) interaction therein. In its photodissociation action spectrum, two local excitation (LE) bands at ∼1.9 eV (656 nm) and >3.0 eV (<420 nm), previously assigned to A2A~2 ← X2B~1 and B2B~1 ← X2B~1 transition, respectively, for aniline dimer (An2+), were also observed for An2W+. On the other hand, the absorption band at ∼1.12 eV (1110 nm) from the CR interaction reported for An2+ disappeared in case of An2W+. Based on this infrared photodissociation action spectra supported by quantum chemical calculations, we suggest that the most stable structure of An2W+ maintains the stacked structure of An2+ but H2O molecule connected to the amino group of aniline molecule via hydrogen bonding plays a role to suppress the CR interaction. [ABSTRACT FROM AUTHOR]

The article examines the combination of layers that affected the photovoltaic performance of solar cells in the prior study to test the correlation between the optical properties and the photovoltaic characteristics of solar cells. Findings suggest that the difference in the density of defect states was due to the combination of layers, which changed the collection efficiency of carriers and the concomitant conversion efficiency of the CuInxGa1-xS2 (CIGS) cells.

The article discusses the observation of polarization of lasing in Zinc oxide (ZnO) nanowires focusing on the hexagonal cross shown by ZnO nanowires and unusual lasing peaks that overlap the transverse mode. Topics include photoluminescence spectrum shown by ZnO nanowires, figures showing ZnO nanowires lying on the substrate, and lasing peaks that are obtained at fine angles.

The article discusses the observation of polarization of lasing in Zinc oxide (ZnO) nanowires focusing on the hexagonal cross shown by ZnO nanowires and unusual lasing peaks that overlap the transverse mode. Topics include photoluminescence spectrum shown by ZnO nanowires, figures showing ZnO nanowires lying on the substrate, and lasing peaks that are obtained at fine angles.