Search results for "Toe"
showing 10 items of 3824 documents
A supramolecular heteropolyoxopalladate {Pd15} cluster host encapsulating a {Pd2} dinuclear guest: [Pd(II)2⊂{H7Pd(II)15O10(PO4)10}](9-).
2011
A high-nuclearity polyoxopalladate compound, [Pd(II)(2)⊂{H(7)Pd(II)(15)O(10)(PO(4))(10)}](9-) {Pd(II)(17)}, comprising a {Pd(15)} host occupied by a {Pd(2)} guest and the parent pristine "empty" [H(7)Pd(II)(15)O(10)(P(V)O(4))(10)](13-) {Pd(15)} cluster have both been prepared and characterized by single-crystal X-ray crystallography, (31)P NMR, CSI-MS, and XPS. The encapsulated {Pd(2)} has a short Pd(II)-Pd(II) distance within the {Pd(15)} host. Solution studies indicate that the empty host and filled guest complex are in equilibrium with each other, and UV titrations revealed a binding constant of ca. 10(3) for the guest Pd(II) ions, with a binding stoichiometry of almost 2.
The surface electronic structure of stoichiometric and defective LiF surfaces studied with MIES and UPS in combination with ab-initio calculations
1997
Abstract UPS (He I) and metastable impact electron spectroscopy (MIES) spectra of the LiF(100) single crystal surface and stoichiometric LiF films are presented. The spectra are interpreted on the basis of ab-initio electronic structure calculations. Defective surfaces, produced by electron dosing, were studied in the same manner. The MIES spectra reveal that the electron dosing produces metallic patches on the surface, but no uniform Li adlayer. The calculation show that the F-center contribution to the electron emission is very close in energy to that from the metallic patches; thus, the two contributions cannot be distinguished by the present experimental techniques.
Atomic and electronic structure of the corundum (0001) surface: comparison with surface spectroscopies
1997
Abstract The electronic structure and geometry of the Al-terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 A, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS He I) and metastable impact electron spectra (MIES) is given using the calculated total density of states of the slab and the projections to the atoms, atomic orbitals, and He 1s floating atomic orbital at different positions above the surface. Calculated projected densities…
Real-space observation of xenon adsorption and desorption kinetics on graphite (0001) by photoemission electron microscopy
2003
Abstract The growth and desorption of Xe monolayers on the basal plane of graphite has been investigated by real-space imaging using photoemission electron microscopy. Adsorption kinetics was studied at different substrate temperatures (39–65 K), corresponding to different growth modes. Coexisting phases showed up as different grey values in the image. Typical domain sizes of the 2D solid phases around 60 K are of the order of one to several μm. The domains exhibit an elongated shape with their long axis oriented preferentially parallel to step edges of the substrate. With increasing coverage the brightness of the domains increases, the 2D gas-phase regions shrink and finally disappear at h…
Pyrenyl substituted 1,8-naphthalimide as a new material for weak efficiency-roll-off red OLEDs: a theoretical and experimental study
2018
Based on the theoretical calculations of excited states and semiconducting properties, a new 1,8-naphthalimide derivative having an electron-donating 1-pyrenyl group at the C-4 position was designed and synthesized. This derivative exhibited an excellent thermal stability and bipolar charge carrier transport ability. It was successfully utilized as a host in red phosphorescent organic light-emitting diodes showing an efficient energy transfer from the host to the phosphorescent emitter. The derivative may be a single material electroplex-forming host for PhOLEDs. The best fabricated red emitting device demonstrated maximum current, power, and external quantum efficiencies of 10.8 cd A−1, 7 …
Nanoelectron spectroscopy for chemical analysis: a novel energy filter for imaging x-ray photoemission spectroscopy
2005
An ovel instrument for imaging ESCA is described. It is based on a tandem arrangement of two hemispherical energy analysers used as an imaging energy filter. The main spherical aberration (α 2 -term) of the analyser is corrected by the antisymmetry of the tandem configuration. The kinetic energy range useable for imaging extends up to 1.6 keV; this is compatible with Mg and Al Kα laboratory x-ray sources. First experiments on the chemical surface composition of a Cu0.98Bi0.02 polycrystal, a GaAs/AlGaAs heterostructure and Ag crystallites on Si(111) have been performed using synchrotron radiation. The results reveal an energy resolutio no f190 meV and a lateral resolution (edge resolution) o…
Ab initio modeling of excitonic and charge-transfer states in organic semiconductors: the PTB1/PCBM low band gap system.
2013
A detailed quantum chemical simulation of the excitonic and charge-transfer (CT) states of a bulk heterojunction model containing poly(thieno[3,4-b]thiophene benzodithiophene) (PTB1)/[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) is reported. The largest molecular model contains two stacked PTB1 trimer chains interacting with C60 positioned on top of and lateral to the (PTB1)3 stack. The calculations were performed using the algebraic diagrammatic construction method to second order (ADC(2)). One main result of the calculations is that the CT states are located below the bright inter-chain excitonic state, directly accessible via internal conversion processes. The other important aspects…
Direct observation of the electroadsorptive effect on ultrathin films for microsensor and catalytic-surface control.
2013
Microchemical sensors and catalytic reactors make use of gases during adsorption in specific ways on selected materials. Fine-tuning is normally achieved by morphological control and material doping. The latter relates surface properties to the electronic structure of the bulk, and this suggests the possibility of electronic control. Although unusual for catalytic surfaces, such phenomena are sometimes reported for microsensors, but with little understanding of the underlying mechanisms. Herein, direct observation of the electroadsorptive effect by a combination of X-ray photoelectron spectroscopy and conductivity analysis on nanometre-thick semiconductor films on buried control electrodes …
Time-of-flight photoemission electron microscopy – a new way to chemical surface analysis
2001
Abstract The time structure of synchrotron radiation at BESSY I (Berlin) was utilised to operate a photoemission electron microscope in the time-of-flight mode. The electrons that are emitted from the sample surface with different energies are dispersed in a drift tube subsequent to the imaging optics. Two ways of fast image detection have been explored, a fast gated intensified CCD camera (800 ps gate time) and a special counting electronics in combination with a 3D (x,y,t)-resolving delay line detector ( time resolution ps). The latter device has a lateral resolution of about 50 μm in the image plane being equivalent to 1000 pixels along the image diagonal. An energy resolution of 400 meV…
Fe 2p photoemission magnetic dichroism with linearly polarized synchrotron radiation and with unpolarized A1 Kα radiation
1997
We report on the measurements and analysis of Fe 2p magnetic dichroism in the angular distribution of the photoelectrons from remanently magnetized Fe(100)surfaces with unpolarized, monochromatized A1 Kα X-rays of 1486 eV energy (MDAD)and with linearly polarized synchrotron radiation of energy 800 eV (LMDAD). The two experiments verify the atomic photoionization model of (L)MDAD including the dichroism effect between field-averaged experiments of different chirality.