Supramolecular vs Electronic Structure: The Effect of the Tilt Angle of the Active Group in the Performance of a Molecular Diode

2016 ◽  
Vol 138 (18) ◽  
pp. 5769-5772 ◽  
Author(s):  
Peng Song ◽  
Li Yuan ◽  
Max Roemer ◽  
Li Jiang ◽  
Christian A. Nijhuis
Keyword(s):  
Electronic Structure ◽  
Tilt Angle ◽  
Active Group ◽  
Molecular Diode

scholarly journals Electronic Structure of Ferrocene-Substituted Cavitands: A QTAIM and NBO Study

2014 ◽  
Vol 2014 ◽  
pp. 1-5
Author(s):  
Tímea R. Kégl ◽  
László Kollár ◽  
Tamás Kégl
Keyword(s):  
Electronic Structure ◽  
Dft Calculations ◽  
Density Distribution ◽  
Electron Density ◽  
Tilt Angle ◽  
Electron Density Distribution ◽  
Partial Charges ◽  
Methylene Groups

Ferrocene-substituted tetrakis(methyl)resorcin[4]arenes have been investigated by means of DFT calculations employing the gradient-corrected PBEPBE functional. In comparison with ferrocene and simple ansa-ferrocenes containing 2–4 bridging methylene groups, it was found that the tilt angle of the functionalized cyclopentadienyl (Cp) rings strongly influences the electron density distribution of the ferrocenyl moieties. According to NBO analyses, the iron atoms in the cavitands are more positive in comparison to those in ferrocene, whereas they are less positive in ansa-ferrocenes. The partial charges of carbon atoms belonging to Cp rings show some correlation with the tilt angle.

The dislocation structure of a 10° [110] tilt boundary in silicon

1983 ◽  
Vol 41 ◽  
pp. 114-115
Author(s):  
B. Cunningham ◽  
D.G. Ast
Keyword(s):  
Dislocation Structure ◽  
Tilt Angle ◽  
Imaging Technique ◽  
Diamond Lattice ◽  
Tilt Boundary ◽  
Formation Mechanisms ◽  
Diffraction Contrast ◽  
Lattice Fringe ◽  
Tilt Boundaries ◽  
Chemically Vapor Deposited

There have Been a number of studies of low-angle, θ < 4°, [10] tilt boundaries in the diamond lattice. Dislocations with Burgers vectors a/2<110>, a/2<112>, a<111> and a<001> have been reported in melt-grown bicrystals of germanium, and dislocations with Burgers vectors a<001> and a/2<112> have been reported in hot-pressed bicrystals of silicon. Most of the dislocations were found to be dissociated, the dissociation widths being dependent on the tilt angle. Possible dissociation schemes and formation mechanisms for the a<001> and a<111> dislocations from the interaction of lattice dislocations have recently been given.The present study reports on the dislocation structure of a 10° [10] tilt boundary in chemically vapor deposited silicon. The dislocations in the boundary were spaced about 1-3nm apart, making them difficult to resolve by conventional diffraction contrast techniques. The dislocation structure was therefore studied by the lattice-fringe imaging technique.

A High Angle, Double Tilting Cold Stage for the AEI EM7

1974 ◽  
Vol 32 ◽  
pp. 450-451
Author(s):  
P.R. Swann ◽  
A.E. Lloyd
Keyword(s):  
Habit Plane ◽  
Temperature Control ◽  
Tilt Angle ◽  
Cooling System ◽  
Thermal Drift ◽  
High Angle ◽  
Cold Stage ◽  
High Degree ◽  
Better Than

Figure 1 shows the design of a specimen stage used for the in situ observation of phase transformations in the temperature range between ambient and −160°C. The design has the following features a high degree of specimen stability during tilting linear tilt actuation about two orthogonal axes for accurate control of tilt angle read-out high angle tilt range for stereo work and habit plane determination simple, robust construction temperature control of better than ±0.5°C minimum thermal drift and transmission of vibration from the cooling system.

The use of a Bent Grid to Improve the take-Off Angle for Electron Probe Analysis

1976 ◽  
Vol 34 ◽  
pp. 360-361
Author(s):  
Delbert E. Philpott ◽  
David Leaffer
Keyword(s):  
Quantitative Analysis ◽  
Tilt Angle ◽  
Count Rate ◽  
Electron Probe ◽  
Open Area ◽  
Electron Probe Analysis ◽  
Background Ratio ◽  
Probe Analysis

There are certain advantages for electron probe analysis if the sample can be tilted directly towards the detector. The count rate is higher, it optimizes the geometry since only one angle need be taken into account for quantitative analysis and the signal to background ratio is improved. The need for less tilt angle may be an advantage because the grid bars are not moved quite as close to each other, leaving a little more open area for observation. Our present detector (EDAX) and microscope (Philips 300) combination precludes moving the detector behind the microscope where it would point directly at the grid. Therefore, the angle of the specimen was changed in order to optimize the geometry between the specimen and the detector.

Methods for three-dimensional reconstruction of cellular components within a thick section

1986 ◽  
Vol 44 ◽  
pp. 18-21
Author(s):  
J. Frank ◽  
B. F. McEwen ◽  
M. Radermacher ◽  
C. L. Rieder
Keyword(s):  
Tilt Angle ◽  
Tomographic Reconstruction ◽  
3D Structure ◽  
Three Dimensional ◽  
Thick Section ◽  
Three Dimensional Reconstruction ◽  
Axis Ratio ◽  
Dimensional Reconstruction ◽  
Cellular Components

The tomographic reconstruction from multiple projections of cellular components, within a thick section, offers a way of visualizing and quantifying their three-dimensional (3D) structure. However, asymmetric objects require as many views from the widest tilt range as possible; otherwise the reconstruction may be uninterpretable. Even if not for geometric obstructions, the increasing pathway of electrons, as the tilt angle is increased, poses the ultimate upper limitation to the projection range. With the maximum tilt angle being fixed, the only way to improve the faithfulness of the reconstruction is by changing the mode of the tilting from single-axis to conical; a point within the object projected with a tilt angle of 60° and a full 360° azimuthal range is then reconstructed as a slightly elliptic (axis ratio 1.2 : 1) sphere.

EELS Measurement of the Local Electronic Structure of Copper Atoms Segregated to Aluminum Grain Boundaries

1996 ◽  
Vol 54 ◽  
pp. 342-343
Author(s):  
S.J. Splinter ◽  
J. Bruley ◽  
P.E. Batson ◽  
D.A. Smith ◽  
R. Rosenberg
Keyword(s):  
Electronic Structure ◽  
Grain Boundaries ◽  
Boundary Segregation ◽  
Thin Layers ◽  
Nominal Composition ◽  
Spatially Resolved ◽  
Service Lifetime ◽  
Heat Treated ◽  
Probe Size ◽  
Local Electronic Structure

It has long been known that the addition of Cu to Al interconnects improves the resistance to electromigration failure. It is generally accepted that this improvement is the result of Cu segregation to Al grain boundaries. The exact mechanism by which segregated Cu increases service lifetime is not understood, although it has been suggested that the formation of thin layers of θ-CuA12 (or some metastable substoichiometric precursor, θ’ or θ”) at the boundaries may be necessary. This paper reports measurements of the local electronic structure of Cu atoms segregated to Al grain boundaries using spatially resolved EELS in a UHV STEM. It is shown that segregated Cu exists in a chemical environment similar to that of Cu atoms in bulk θ-phase precipitates.Films of 100 nm thickness and nominal composition Al-2.5wt%Cu were deposited by sputtering from alloy targets onto NaCl substrates. The samples were solution heat treated at 748K for 30 min and aged at 523K for 4 h to promote equilibrium grain boundary segregation. EELS measurements were made using a Gatan 666 PEELS spectrometer interfaced to a VG HB501 STEM operating at 100 keV. The probe size was estimated to be 1 nm FWHM. Grain boundaries with the narrowest projected width were chosen for analysis. EDX measurements of Cu segregation were made using a VG HB603 STEM.

Electronic structure studies of conducting polymers by electron energy-loss spectroscopy

1996 ◽  
Vol 54 ◽  
pp. 160-161
Author(s):  
J. Fink
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers ◽  
Conjugated Polymers ◽  
Electron Acceptors ◽  
Electron Donors ◽  
Light Emitting ◽  
One Dimensional ◽  
New Class ◽  
Electrical Conductivities ◽  
Electron Energy Loss

Conducting polymers comprises a new class of materials achieving electrical conductivities which rival those of the best metals. The parent compounds (conjugated polymers) are quasi-one-dimensional semiconductors. These polymers can be doped by electron acceptors or electron donors. The prototype of these materials is polyacetylene (PA). There are various other conjugated polymers such as polyparaphenylene, polyphenylenevinylene, polypoyrrole or polythiophene. The doped systems, i.e. the conducting polymers, have intersting potential technological applications such as replacement of conventional metals in electronic shielding and antistatic equipment, rechargable batteries, and flexible light emitting diodes.Although these systems have been investigated almost 20 years, the electronic structure of the doped metallic systems is not clear and even the reason for the gap in undoped semiconducting systems is under discussion.

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

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