Instability model of the NaZr2(PO4)3 Structure

2002 ◽  
Vol 713 ◽  
Author(s):  
Albert Troole ◽  
Sergey Stefanovsky
Keyword(s):  
Coordination Polyhedron ◽  
Local Symmetry ◽  
Paramagnetic Species ◽  
Local Distortion ◽  
Rank Tensor ◽  
Ion Probe ◽  
Charge Compensator ◽  
Paramagnetic Probes ◽  
Polyhedron Model ◽  
Nzp Structure

ABSTRACTIncorporation of paramagnetic species in NaZr2(PO4)3 (NZP) single crystal made possible to investigate local distortion of the NZP structure from EPR data. Cr3+ and Fe3+ ions were used as paramagnetic probes. We mapped invariant sum of cubic component of the fourth rank tensor of crystal field, the indicative surface of the B04 element of this tensor as well as 2nd, 3rd, and 4th orders axles of the cubic component of the same tensor. From these data the coordination polyhedron of the ion-probe has been modeled and direction to charge compensator has been determined. Based on the coordination polyhedron model obtained it has been shown how would the local symmetry be lowered from C3 (initial symmetry of the Zr-polyhedron) to C1 (Zr substitute ion-probe). A comparison of dynamics of the structure occurring at lowering the symmetry with allowed dynamics of the NZP structure (Roy -Alamo-Agrawal model) makes easily explainable why the dynamics observed results in an instability of the NZP structure and breaking the symmetry from R 3c to C2/c.

ELNES of Iron Compounds

1990 ◽  
Vol 48 (2) ◽  
pp. 28-29
Author(s):  
Hiroki Kurata ◽  
Kazuhiro Nagai ◽  
Seiji Isoda ◽  
Takashi Kobayashi
Keyword(s):  
Energy Loss ◽  
Metal Ions ◽  
Energy Resolution ◽  
Transition Metal Oxides ◽  
Local Symmetry ◽  
Iron Compounds ◽  
Fine Structures ◽  
Electron Energy Loss ◽  
Fe Ions ◽  
Electron Energy Loss Spectra

Electron energy loss spectra of transition metal oxides, which show various fine structures in inner shell edges, have been extensively studied. These structures and their positions are related to the oxidation state of metal ions. In this sence an influence of anions coordinated with the metal ions is very interesting. In the present work, we have investigated the energy loss near-edge structures (ELNES) of some iron compounds, i.e. oxides, chlorides, fluorides and potassium cyanides. In these compounds, Fe ions (Fe2+ or Fe3+) are octahedrally surrounded by six ligand anions and this means that the local symmetry around each iron is almost isotropic.EELS spectra were obtained using a JEM-2000FX with a Gatan Model-666 PEELS. The energy resolution was about leV which was mainly due to the energy spread of LaB6 -filament. The threshole energies of each edges were measured using a voltage scan module which was calibrated by setting the Ni L3 peak in NiO to an energy value of 853 eV.

Fluidized Catalytic Cracking Catalyst Microstructure as Determined by A Scanning Ion Microprobe

1990 ◽  
Vol 48 (2) ◽  
pp. 302-303
Author(s):  
J.K. Lampert ◽  
G.S. Koermer ◽  
J.M. Macaoy ◽  
J.M. Chabala ◽  
R. Levi-Setti
Keyword(s):  
Catalytic Cracking ◽  
Secondary Ion Mass Spectrometry ◽  
Fuel Oil ◽  
Ion Microprobe ◽  
Fluidized Catalytic Cracking ◽  
Ion Probe ◽  
Silica Alumina ◽  
Resolution Imaging ◽  
The University ◽  
High Spatial Resolution Imaging

We have used high spatial resolution imaging secondary ion mass spectrometry (SIMS) to differentiate mineralogical phases and to investigate chemical segregations in fluidized catalytic cracking (FCC) catalyst particles. The oil industry relies on heterogeneous catalysis using these catalysts to convert heavy hydrocarbon fractions into high quality gasoline and fuel oil components. Catalyst performance is strongly influenced by catalyst microstructure and composition, with different chemical reactions occurring at specific types of sites within the particle. The zeolitic portions of the particle, where the majority of the oil conversion occurs, can be clearly distinguished from the surrounding silica-alumina matrix in analytical SIMS images.The University of Chicago scanning ion microprobe (SIM) employed in this study has been described previously. For these analyses, the instrument was operated with a 40 keV, 10 pA Ga+ primary ion probe focused to a 30 nm FWHM spot. Elemental SIMS maps were obtained from 10×10 μm2 areas in times not exceeding 524s.

The limits of strain and lattice parameter measurements by CBED

1989 ◽  
Vol 47 ◽  
pp. 518-519
Author(s):  
Hamish L. Fraser
Keyword(s):  
Electron Beam ◽  
Mirror Symmetry ◽  
Local Symmetry ◽  
Lattice Parameter ◽  
Growth Direction ◽  
Surface Relaxation ◽  
Strained Layer ◽  
Axis Parallel ◽  
Local Lattice ◽  
Strained Layer Superlattice

The topic of strain and lattice parameter measurements using CBED is discussed by reference to several examples. In this paper, only one of these examples is referenced because of the limitation of length. In this technique, scattering in the higher order Laue zones is used to determine local lattice parameters. Work (e.g. 1) has concentrated on a model strained-layer superlattice, namely Si/Gex-Si1-x. In bulk samples, the strain is expected to be tetragonal in nature with the unique axis parallel to [100], the growth direction. When CBED patterns are recorded from the alloy epi-layers, the symmetries exhibited by the patterns are not tetragonal, but are in fact distorted from this to lower symmetries. The spatial variation of the distortion close to a strained-layer interface has been assessed. This is most readily noted by consideration of Fig. 1(a-c), which show enlargements of CBED patterns for various locations and compositions of Ge. Thus, Fig. 1(a) was obtained with the electron beam positioned in the center of a 5Ge epilayer and the distortion is consistent with an orthorhombic distortion. When the beam is situated at about 150 nm from the interface, the same part of the CBED pattern is shown in Fig. 1(b); clearly, the symmetry exhibited by the mirror planes in Fig. 1 is broken. Finally, when the electron beam is positioned in the center of a 10Ge epilayer, the CBED pattern yields the result shown in Fig. 1(c). In this case, the break in the mirror symmetry is independent of distance form the heterointerface, as might be expected from the increase in the mismatch between 5 and 10%Ge, i.e. 0.2 to 0.4%, respectively. From computer simulation, Fig.2, the apparent monocline distortion corresponding to the 5Ge epilayer is quantified as a100 = 0.5443 nm, a010 = 0.5429 nm and a001 = 0.5440 nm (all ± 0.0001 nm), and α = β = 90°, γ = 89.96 ± 0.02°. These local symmetry changes are most likely due to surface relaxation phenomena.

LOCAL SYMMETRY AT THE 3d METAL SITE AND CHEMICAL ORDER IN AMORPHOUS AND CRYSTALLINE Ni1-xBx

1985 ◽  
Vol 46 (C8) ◽  
pp. C8-217-C8-221 ◽  
Author(s):  
M. Maurer ◽  
A. Mehdaoui ◽  
J. M. Friedt
Keyword(s):  
Local Symmetry ◽  
Chemical Order ◽  
Metal Site

Plasma Treatment Effect on the Paramagnetic Species of Barley Seed Radical's Intensity: An EPR study

2020 ◽  
Author(s):  
Pankaj Attri ◽  
Anan Teruki ◽  
Ryo Arita ◽  
Takamasa Okumura ◽  
Hayate Tanaka ◽  
...  
Keyword(s):  
Plasma Treatment ◽  
Treatment Effect ◽  
Barley Seed ◽  
Paramagnetic Species

Restriction of Access to Dark State: A New Mechanistic Model for Heteroatom-Containing AIE Systems

2019 ◽  
Author(s):  
Yujie Tu ◽  
Junkai Liu ◽  
Haoke Zhang ◽  
Qian Peng ◽  
Jacky W. Y. Lam ◽  
...  
Keyword(s):  
Excited States ◽  
Radiative Decay ◽  
Molecular Design ◽  
Mechanistic Model ◽  
Zinc Ion ◽  
Easy Access ◽  
Triplet States ◽  
Dark State ◽  
Ion Probe ◽  
Π State

Aggregation-induced emission (AIE) is an unusual photophysical phenomenon and provides an effective and advantageous strategy for the design of highly emissive materials in versatile applications such as sensing, imaging, and theragnosis. "Restriction of intramolecular motion" is the well-recognized working mechanism of AIE and have guided the molecular design of most AIE materials. However, it sometimes fails to be workable to some heteroatom-containing systems. Herein, in this work, we take more than one excited state into account and specify a mechanism –"restriction of access to dark state (RADS)" – to explain the AIE effect of heteroatom-containing molecules. An anthracene-based zinc ion probe named APA is chosen as the model compound, whose weak fluorescence in solution is ascribed to the easy access from the bright (π,π*) state to the closelying dark (n,π*) state caused by the strong vibronic coupling of the two excited states. By either metal complexation or aggregation, the dark state is less accessible due to the restriction of the molecular motion leading to the dark state and elevation of the dark state energy, thus the emission of the bright state is restored. RADS is found to be powerful in elucidating the photophysics of AIE materials with excited states which favor non-radiative decay, including overlap-forbidden states such as (n,π*) and CT states, spin-forbidden triplet states, which commonly exist in heteroatom-containing molecules.

Photolytic and thermal annealing of radical anions gamma-irradiated monocarboxylic acids

1979 ◽  
Vol 44 (12) ◽  
pp. 3632-3643 ◽  
Author(s):  
Karel Mach ◽  
Igor Janovský ◽  
Karel Vacek
Keyword(s):  
Thermal Annealing ◽  
Pivalic Acid ◽  
Esr Spectra ◽  
Paramagnetic Species ◽  
Radical Anions ◽  
Γ Irradiation ◽  
Before And After ◽  
Optical Bleaching ◽  
The Difference ◽  
Gamma Irradiated

Total yields of paramagnetic species, their optical bleaching and thermal annealing in acetic, propionic, a-butyric, isobutyric, and pivalic acid γ-irradiated at 77 K were followed by ESR spectroscopy. Radical anions, always found after irradiation, disappear during optical bleaching without formation of any paramagnetic product. During thermal annealing they are converted almost quantitatively into the α-radicals of the respective acid, with the exception of pivalic acid. Amounts of radical anions were estimated from the difference of integrated ESR spectra taken before and after optical bleaching. The results show that approximately equal amounts of the reduction and oxidation paramagnetic products of the γ-irradiation can be detected.

Investigation of the measurement characteristics of a multiple-ion-probe method for a propagating methane–oxygen–nitrogen flame

2020 ◽  
Vol 211 ◽  
pp. 112-123
Author(s):  
Tomoaki Yatsufusa ◽  
Keigo Kii ◽  
Naoya Miura ◽  
Hiroki Yamamoto ◽  
Akira Kawasaki ◽  
...  
Keyword(s):  
Probe Method ◽  
Ion Probe
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