Calculation of the electronic structure and energetic characteristics of hydrocarbon molecules by the CNDO/BW method

1975 ◽  
Vol 18 (1) ◽  
pp. 37-40
Author(s):  
V. P. Shcherbina ◽  
V. S. Cherkasov ◽  
Yu. A. Tishchenko ◽  
V. I. Danilova
2015 ◽  
Vol 44 (7) ◽  
pp. 3128-3135 ◽  
Author(s):  
Jia-Bi Ma ◽  
Jing-Heng Meng ◽  
Sheng-Gui He

The reactivity of the peroxide unit with hydrocarbon molecules on transition metal oxide clusters with a closed-shell electronic structure has been identified for the first time.


Author(s):  
J. J. Kelsch ◽  
A. Holtz

A simple solution to the serious problem of specimen contamination in the electron microscope is presented. This is accomplished by the introduction of clean helium into the vacuum exactly at the specimen position. The local pressure gradient thus established inhibits the migration of hydrocarbon molecules to the specimen surface. The high ionization potential of He permits the use of relatively large volumes of the gas, without interfering with gun stability. The contamination rate is reduced on metal samples by a factor of 10.


Author(s):  
A. Tanaka ◽  
M. Yamaguchi ◽  
T. Hirano

The plasma polymerization replica method and its apparatus have been devised by Tanaka (1-3). We have published several reports on its application: surface replicas of biological and inorganic specimens, replicas of freeze-fractured tissues and metal-extraction replicas with immunocytochemical markers.The apparatus for plasma polymerization consists of a high voltage power supply, a vacuum chamber containing a hydrocarbon gas (naphthalene, methane, ethylene), and electrodes of an anode disk and a cathode of the specimen base. The surface replication by plasma polymerization in negative glow phase on the cathode was carried out by gassing at 0.05-0.1 Torr and glow discharging at 1.5-3 kV D.C. Ionized hydrocarbon molecules diffused into complex surface configurations and deposited as a three-dimensionally polymerized film of 1050 nm in thickness.The resulting film on the complex surface had uniform thickness and showed no granular texture. Since the film was chemically inert, resistant to heat and mecanically strong, it could be treated with almost any organic or inorganic solvents.


Author(s):  
G. Lehmpfuhl ◽  
P. J. Smith

Specimens being observed with electron-beam instruments are subject to contamination, which is due to polymerization of hydrocarbon molecules by the beam. This effect becomes more important as the size of the beam is reduced. In convergent-beam studies with a beam diameter of 100 Å, contamination was observed to grow on samples at very high rates. Within a few seconds needles began forming under the beam on both the top and the underside of the sample, at growth rates of 400-500 Å/s, severely limiting the time available for observation. Such contamination could cause serious difficulty in examining a sample with the new scanning transmission electron microscopes, in which the beam is focused to a few angstroms.We have been able to reduce the rate of contamination buildup by a combination of methods: placing an anticontamination cold trap in the sample region, preheating the sample before observation, and irradiating the sample with a large beam before observing it with a small beam.


Author(s):  
J.T. Fourie

Contamination in electron microscopes can be a serious problem in STEM or in situations where a number of high resolution micrographs are required of the same area in TEM. In modern instruments the environment around the specimen can be made free of the hydrocarbon molecules, which are responsible for contamination, by means of either ultra-high vacuum or cryo-pumping techniques. However, these techniques are not effective against hydrocarbon molecules adsorbed on the specimen surface before or during its introduction into the microscope. The present paper is concerned with a theory of how certain physical parameters can influence the surface diffusion of these adsorbed molecules into the electron beam where they are deposited in the form of long chain carbon compounds by interaction with the primary electrons.


Author(s):  
S.J. Splinter ◽  
J. Bruley ◽  
P.E. Batson ◽  
D.A. Smith ◽  
R. Rosenberg

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.


Author(s):  
J. Fink

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.


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