Search results for "STATES"
showing 10 items of 1532 documents
A combined theoretical and experimental determination of the electronic spectrum of acetone
1996
A combined ab initio and experimental investigation has been performed of the main features of the electronic spectrum of acetone. Vertical transition energies have been calculated from the ground to the ny→π∗, π→π∗, σ→π∗, and the n=3 Rydberg states. In addition, the 1A1 energy surfaces have been studied as functions of the CO bond length. The 1A1 3p and 3d states were found to be heavily perturbed by the π→π∗ state. Resonant multiphoton ionization and polarization‐selected photoacoustic spectra of acetone have been measured and observed transitions were assigned on internal criteria. The calculated vertical transition energies to the ny→π∗ and all Rydberg states were found to be in agreeme…
Ab initio study on the low-lying excited states of retinal
1997
Ab initio results for the electronic spectrum of all-trans-retinal and its truncated model 3-methyl-all-trans (10-s-cis)-2,4,6,8,10-undecapentaen-1-al are presented. The study includes geometry determination of the ground state. Vertical excitation energies have been computed using multiconfigurational second-order perturbation theory through the CASPT2 formalism. The lowest singlet excited state in gas phase is predicted to be of nπ∗ character. The lowest triplet state corresponds, however, to a ππ∗ state. The most intense feature of the spectrum is due to the strongly dipole-allowed ππ∗ transition, in accordance with the observed maximum in the one-photon spectra. The vertical excitation …
Amorphous semiconductor-electrolyte junction
1987
Abstract The photoelectrochemical behaviour of amorphous anodic films on niobium (a-Nb 2 O 5 ) grown in a wide range of thicknesses (20 ⩽ d ox ⩽ 25 nm) is presented. The influence of the wavelength, light intensity and film thickness on the photocharacteristics of the a-Nb 2 O 5 /electrolyte junction is investigated. Expressions for the photocurrent curves under steady-state conditions are derived by assuming a variable efficiency of photocarrier generation and different distributions of the electrical potential inside the amorphous films. The influence of the light intensity on the photocharacteristics and the existence of a sub-band-gap photoresponse are explained by assuming a finite den…
Nonadiabatic orientation, toroidal current, and induced magnetic field in BeO molecules.
2008
It is predicted that oriented BeO molecules would give rise to unprecedentedly strong, unidirectional electric ring current and an associated magnetic field upon excitation by a right or left circularly polarized laser pulse into the first excited degenerate singlet state. The strong toroidal electric ring current of this state is dominated by the ring current of the 1π± orbital about the molecular axis. Our predictions are based on the analysis of the orbital composition of the states involved and are substantiated by high level electronic structure calculations and wavepacket simulations of the laser-driven orientation and excitation dynamics. Luis.Serrano@uv.es
A theoretical study of the lowest electronic states of azobenzene: the role of torsion coordinate in the cis-trans photoisomerization
2003
In the present paper we report the results of a multiconigurational computational study on potential- energy curves of azobenzene along the NN twisting to clarify the role of this coordinate in the decay of the S2(pp*) and S1(np*) states. We have found that there is a singlet state, S3 at the trans geometry, on the basis of the doubly excited coniguration n 2 p* 2 , that has a deep minimum at about 90 of twisting, where it is the lowest excited singlet state. The existence of this state provides an explanation for the short lifetime of S2(pp*) and for the wavelength-dependence of azobenzene photochem- istry. We have characterized the S1(np*) state by calcu- lating its vibrational frequencie…
Optical transitions and excitonic recombination in InAs/InP self-assembled quantum wires
2001
InAs self-assembled quantum wire structures have been grown on InP substrates and studied by means of photoluminescence and polarized-light absorption measurements. According to our calculations, the observed optical transitions in each sample are consistent with wires of different heights, namely from 6 to 13 monolayers. The nonradiative mechanism limiting the emission intensity at room temperature is related to thermal escape of carriers out of the wires.
Recombination processes in unintentionally doped GaTe single crystals
2002
Emission spectra of GaTe single crystals in the range of 1.90–1.38 eV have been analyzed at different temperatures and excitation intensities by photoluminescence, photoluminescence excitation, and selective photoluminescence. A decrease in band gap energy with an increase in temperature was obtained from the redshift of the free exciton recombination peak. The energy of longitudinal optical phonons was found to be 14±1 meV. A value of 1.796±0.001 eV for the band gap at 10 K was determined, and the bound exciton energy was found to be 18±0.3 meV. The activation energy of the thermal quenching of the main recombination peaks and of the ones relating to the ionization energy of impurities and…
Carbon Nanodots: A Review—From the Current Understanding of the Fundamental Photophysics to the Full Control of the Optical Response
2018
Carbon dots (CDs) are an emerging family of nanosystems displaying a range of fascinating properties. Broadly speaking, they can be described as small, surface-functionalized carbonaceous nanoparticles characterized by an intense and tunable fluorescence, a marked sensitivity to the environment and a range of interesting photochemical properties. CDs are currently the subject of very intense research, motivated by their possible applications in many fields, including bioimaging, solar energy harvesting, nanosensing, light-emitting devices and photocatalyis. This review covers the latest advancements in the field of CDs, with a focus on the fundamental understanding of their key photophysica…
Growth and optical characterization of indirect-gap AlxGa1−xAs alloys
1999
Nonintentionally doped AlxGa1−xAs layers with 0.38 x 0.84 were grown on (100) GaAs substrates by liquid phase epitaxy (LPE) under near-equilibrium conditions. The crystalline quality of the samples was studied by photoluminescence at 2 K and room temperature Raman spectroscopy. The peculiar behavior in the photoluminescence intensities of the indirect bound exciton line and the donor–acceptor pair transition is explained from the evolution of the silicon donor binding energy according to the aluminum composition. It was also possible to observe the excitonic transition corresponding to the AlxGa1−xAs/GaAs interface, despite the disorder and other factors which are normally involved when gro…
Roadmap on STIRAP applications
2019
STIRAP (stimulated Raman adiabatic passage) is a powerful laser-based method, usually involving two photons, for efficient and selective transfer of populations between quantum states. A particularly interesting feature is the fact that the coupling between the initial and the final quantum states is via an intermediate state, even though the lifetime of the latter can be much shorter than the interaction time with the laser radiation. Nevertheless, spontaneous emission from the intermediate state is prevented by quantum interference. Maintaining the coherence between the initial and final state throughout the transfer process is crucial. STIRAP was initially developed with applications in …