Search results for "orbit"
showing 10 items of 1104 documents
Zvaigžņotā Debess: 2018, Vasara (240)
2018
Jauna hipotēze par I tipa pārnovu izcelšanos ; No 108 minūtēm līdz 96 dienām ; Maiņzvaigznes (astronomija skolā) ; O.Dumbrājs. Nēteres teorēmai 100 gadu ; K.Švarcs. Jauni novērojumi tālā un tuvā kvazārā ; I.P. Īsumā: ALMA un VLT iegūst liecību par zvaigžņu veidošanos tikai 250 miljonus gadu pēc Lielā Sprādziena ; I.Pundure. Lagūnas miglājs – zvaigžņu bērnistaba Habla skatījumā ; I.Pundure. ALMA un APEX atklāj veidojošos galaktiku megasaplūšanu agrīnajā Visumā ; K.Salmiņš. LU Astronomijas institūts pirmais veicis nanopavadoņa S-NET lāzermērījumus ; J.Jaunbergs. Zeme atpakaļskata spogulī ; J.Jaunbergs. Sniegotā Helēne un mazais Polideiks ; R.Misa. Latvijas uzņēmums Eventech piedalīsies Luna-2…
Photoswitchable Micro-Supercapacitor Based on a Diarylethene-Graphene Composite Film
2017
Stimuli-responsive micro-supercapacitors (MSCs) controlled by external stimuli can enable a wide range of applications for future on-chip energy storage. Here, we report on a photoswitchable MSC based on a diarylethene-graphene composite film. The microdevice delivers an outstanding and reversible capacitance modulation of up to 20%, demonstrating a prototype photoswitchable MSC. Terahertz spectroscopy indicates that the photoswitching of the capacitance is enabled by the reversible tuning of interfacial charge injection into diarylethene molecular orbitals, as a consequence of charge transfer at the diarylethene-graphene interface upon light modulation.
Titania nanotubes modeled from 3- and 6-layered (101) anatase sheets: Line group symmetry and comparative ab initio LCAO calculations
2010
Abstract The formalism of line groups for one-periodic (1D) nanostructures with rotohelical symmetry has been applied for construction of TiO 2 nanotubes (NTs). They are formed by rolling up the stoichiometric two-periodic (2D) sheets cut from the energetically stable (1 0 1) anatase surface, which contains either six (O–Ti–O_O–Ti–O) or three (O–Ti–O) layers. After optimization of geometry the former keeps the centered rectangular symmetry of initial slab while the latter is spontaneously reconstructed to the hexagonal fluorite-type (1 1 1) sheet. We have considered the four sets of TiO 2 NTs with optimized 6- and 3-layered structures, which possess the two pairs of either anatase (− n , n …
Ab initio simulations on N and S co-doped titania nanotubes for photocatalytic applications
2015
In this paper we present the results of quantum chemical modeling for energetically stable anatase (001) TiO2 nanotubes, undoped, doped, and codoped with N and S atoms. We calculate the electronic structure of one-dimensional (1D) nanotubes and zero-dimensional (0D) atomic fragments cut out from these nanotubes, employing hybrid density functional theory with a partial incorporation of an exact, nonlocal Hartree–Fock exchange within the formalism of the linear combination of atomic orbitals, as implemented in both CRYSTAL and NWChem total energy codes. Structural optimization of 1D nanotubes has been performed using CRYSTAL09 code, while the cut-out 0D fragments have been modelled using the…
First principles modeling of 3d-metal doped three-layer fluorite-structured TiO2 (4,4) nanotube to be used for photocatalytic hydrogen production
2017
This study has been supported by the EC ERA.Net RUS Plus project No. 237 WATERSPLIT, Russian Basic Research Foundation No. 16-53-76019, and additionally by the IMIS2 Program (Latvia). The authors are also indebted to R. A. Evarestov and O. Lisovski for stimulating discussions as well as to A. Chesnokov for technical assistance.
Symmetry and Models of Double-Wall BN and TiO2 Nanotubes with Hexagonal Morphology
2011
The line symmetry groups for one-periodic (1D) nanostructures with rotohelical symmetry have been applied for symmetry analysis of double-wall boron nitride and titania nano- tubes (DW BN and TiO2 NTs) formed by rolling up the stoichiometric two-periodic (2D) slabs of hexagonal structure with the same or opposite orientation of translation and chiral vectors. We have considered the two sets of commensurate DW BN and TiO2 NTs with either armchair- or zigzag-type chiralities, i.e., (n1,n1)@(n2,n2 )o r (n1,0)@(n2,0), respectively. To establish theequilibriuminterwalldistancescorrespondingtotheminimaof energy, we have varied chiral indices n1 and n2 of the constituent single-wall (SW) nanotubes…
Strongly Red-Emissive Molecular Ruby [Cr(bpmp)2]3+ Surpasses [Ru(bpy)3]2+
2021
Gaining chemical control over the thermodynamics and kinetics of photoexcited states is paramount to an efficient and sustainable utilization of photoactive transition metal complexes in a plethora of technologies. In contrast to energies of charge transfer states described by spatially separated orbitals, the energies of spin-flip states cannot straightforwardly be predicted as Pauli repulsion and the nephelauxetic effect play key roles. Guided by multireference quantum chemical calculations, we report a novel highly luminescent spin-flip emitter with a quantum chemically predicted blue-shifted luminescence. The spin-flip emission band of the chromium complex [Cr(bpmp)2]3+ (bpmp = 2,6-bis(…
Pt(II) nitrile complexes: New insights on old complexes from a combined experimental and theoretical study
2017
Abstract The spectroscopic characterization of cis - and trans -[PtCl 2 (NCR) 2 ] (R = CH 3 , Ph, CH 2 Ph) was reported in solid state and solution phase. Moreover, the X-ray structures of cis -[PtCl 2 (NCCH 3 ) 2 ], cis - and trans -[PtCl 2 (NCPh) 2 ] were redetermined at low temperature. FT-IR and NMR showed a blue-shift and a slight shielding of the νCN and δ ( 13 C CN ) values, respectively, in a counterintuitive way with respect to the well known improved reactivity towards nucleophiles of nitriles ligands coordinated to platinum(II), when compared to their free forms. These spectroscopic behaviors were also confirmed by theoretical experiments at DFT level. Moreover, DFT approach show…
Spiking patterns emerging from wave instabilities in a one-dimensional neural lattice.
2003
The dynamics of a one-dimensional lattice (chain) of electrically coupled neurons modeled by the FitzHugh-Nagumo excitable system with modified nonlinearity is investigated. We have found that for certain conditions the lattice exhibits a countable set of pulselike wave solutions. The analysis of homoclinic and heteroclinic bifurcations is given. Corresponding bifurcation sets have the shapes of spirals twisting to the same center. The appearance of chaotic spiking patterns emerging from wave instabilities is discussed.
Numerical analysis of dynamical systems : unstable periodic orbits, hidden transient chaotic sets, hidden attractors, and finite-time Lyapunov dimens…
2019
In this article, on the example of the known low-order dynamical models, namely Lorenz, Rössler and Vallis systems, the difficulties of reliable numerical analysis of chaotic dynamical systems are discussed. For the Lorenz system, the problems of existence of hidden chaotic attractors and hidden transient chaotic sets and their numerical investigation are considered. The problems of the numerical characterization of a chaotic attractor by calculating finite-time time Lyapunov exponents and finite-time Lyapunov dimension along one trajectory are demonstrated using the example of computing unstable periodic orbits in the Rössler system. Using the example of the Vallis system describing the El…