Mechanism of O2 Molecule Adsorption and Subsequent Oxidation of Dimers on Si(001) Surfaces

1993 ◽  
Vol 318 ◽  
Author(s):  
T. Hoshino ◽  
M. Tsuda ◽  
S. Oikawa ◽  
I. Ohdomari
Keyword(s):  
Activation Energy ◽  
Metastable State ◽  
Room Temperature ◽  
Silicon Oxide ◽  
Molecular Orbital Calculations ◽  
Initial Stage ◽  
Defect Sites ◽  
Reconstructed Surface ◽  
Energy Reaction ◽  
No Activation

ABSTRACTThe adsorption reaction of O2 molecule with symmetric dimers on the Si(001)–2×1 reconstructed surface has been investigated by ab initio molecular orbital calculations. Detailed analysis of the lowest energy reaction path has revealed that there exists a metastable state in which O2 molecule adsorbs on silicon dimer without dissociation, the dissociation of O2 molecule requires large activation energy, and a silicon oxide and an isolated oxygen atom are produced after the reaction has been completed. The activation energy required for the conversion from the metastable state to the final products has been estimated to be 60.4 kcal/mol. This result suggests that a symmetric dimer on the Si(001)–2×1 surface is hardly oxidized at room temperature. This conclusion is consistent with the recent STM observations that the initial stage of oxidation starts from the dimer defect sites on the Si(001) surface. On the contrary, it has been found that no activation energy is required for the oxidation reaction by O atom.

IN SITU STM INVESTIGATION OF Ge NANOSTRUCTURES WITH AND WITHOUT Sb ON GRAPHITE

2006 ◽  
Vol 13 (02n03) ◽  
pp. 241-249
Author(s):  
SUNIL SINGH KUSHVAHA ◽  
ZHIJUN YAN ◽  
MAO-JIE XU ◽  
WENDE XIAO ◽  
XUE-SEN WANG
Keyword(s):  
Room Temperature ◽  
Pyrolytic Graphite ◽  
High Vacuum ◽  
Ultra High Vacuum ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Initial Stage ◽  
Defect Sites ◽  
Substrate Defects

Germanium was deposited onto highly oriented pyrolytic graphite (HOPG) with and without antimony in ultra-high vacuum. The surface morphology was analyzed using in situ scanning tunneling microscopy (STM) at room temperature (RT). The film grows exclusively in 3D island mode and was affected significantly by substrate defects. At initial stage, nucleation of cluster occurred at step edges and defect sites. Later, we found various types of Ge nanostructures on HOPG in different deposition conditions and stages, including cluster chains, cluster islands, nanowires, and double layer ramified islands at RT. Compact Ge islands were observed when depositing at a substrate temperature of 450 K or after an annealing at 600 K following RT deposition. In addition, the pre-deposited Sb on graphite enhances the sticking probability and suppresses the surface diffusion of Ge atoms, resulting in a significant increase in Ge cluster island density on HOPG terraces.

scholarly journals A Facile and Efficient Bromination of Multi-Walled Carbon Nanotubes

Materials ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3161
Author(s):  
Sandra Zarska ◽  
Damian Kulawik ◽  
Volodymyr Pavlyuk ◽  
Piotr Tomasik ◽  
Alicja Bachmatiuk ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Room Temperature ◽  
Covalent Attachment ◽  
Closed Vessel ◽  
Dangling Bonds ◽  
Magnetic Stirrer ◽  
Defect Sites ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes ◽  
Covalently Bound

The bromination of multi-walled carbon nanotubes (MWCNT) was performed with vapor bromine in a closed vessel, and they were subjected to intensive stirring with a magnetic stirrer for up to 14 days. The efficiency of bromination was compared depending upon duration. The structure and surface of the crude and purified products were characterized by detailed physicochemical analyses, such as SEM/EDS, TEM, XRD, TGA, Raman, and XPS spectroscopies. The studies confirmed the presence of bromine covalently bound with nanotubes as well as the formation of inclusion MWCNT–Br2 complexes. It was confirmed that Br2 molecules are absorbed on the surface of nanotubes (forming the CNT-Br2 complex), while they can dissociate close to dangling bonds at CNT defect sites with the formation of covalent C−Br bonds. Thus, any covalent attachment of bromine to the graphitic surface achieved around room temperature is likely related to the defects in the MWCNTs. The best results, i.e., the highest amount of attached Br2, were obtained for brominated nanotubes brominated for 10 days, with the content of covalently bound bromine being 0.68 at% (by XPS).

On the use of Ozawa/Flynn/Wall method to determine aging activation energy for elastomers

2021 ◽  
pp. 009524432110203
Author(s):  
Sudhir Bafna
Keyword(s):  
Mechanical Properties ◽  
Activation Energy ◽  
Weight Loss ◽  
Oxygen Consumption ◽  
Dwell Time ◽  
Room Temperature ◽  
Elevated Temperatures ◽  
Degradation Mechanism ◽  
Kinetics Of ◽  
Wall Method

It is often necessary to assess the effect of aging at room temperature over years/decades for hardware containing elastomeric components such as oring seals or shock isolators. In order to determine this effect, accelerated oven aging at elevated temperatures is pursued. When doing so, it is vital that the degradation mechanism still be representative of that prevalent at room temperature. This places an upper limit on the elevated oven temperature, which in turn, increases the dwell time in the oven. As a result, the oven dwell time can run into months, if not years, something that is not realistically feasible due to resource/schedule constraints in industry. Measuring activation energy (Ea) of elastomer aging by test methods such as tensile strength or elongation, compression set, modulus, oxygen consumption, etc. is expensive and time consuming. Use of kinetics of weight loss by ThermoGravimetric Analysis (TGA) using the Ozawa/Flynn/Wall method per ASTM E1641 is an attractive option (especially due to the availability of commercial instrumentation with software to make the required measurements and calculations) and is widely used. There is no fundamental scientific reason why the kinetics of weight loss at elevated temperatures should correlate to the kinetics of loss of mechanical properties over years/decades at room temperature. Ea obtained by high temperature weight loss is almost always significantly higher than that obtained by measurements of mechanical properties or oxygen consumption over extended periods at much lower temperatures. In this paper, data on five different elastomer types (butyl, nitrile, EPDM, polychloroprene and fluorocarbon) are presented to prove that point. Thus, use of Ea determined by weight loss by TGA tends to give unrealistically high values, which in turn, will lead to incorrectly high predictions of storage life at room temperature.

Cathodoluminescence of SiO2/Si System

2009 ◽  
Vol 156-158 ◽  
pp. 487-492 ◽  
Author(s):  
M.V. Zamoryanskaya
Keyword(s):  
Activation Energy ◽  
Electron Beam ◽  
Rise Time ◽  
Silicon Oxide ◽  
Beam Current ◽  
Electron Beam Current ◽  
Electron Traps ◽  
Definition Of ◽  
Luminescent Centers

In this paper the new method for determination of luminescent centers concentration are discussed. While the possibility of electron traps determination and definition of its activation energy are suggested. The cathodoluminescent (CL) method was used. The determination of luminescent centers concentration in silicon oxide is based on the measurements of dependences of CL intensity on electron beam current. The presence and energy of activation of electron traps were studied by measurement of rise time and decay of luminescent band during the stationary irradiation of silica by electron beam.

STRUCTURAL AND ELECTRONIC PROPERTIES OF THE Li/Si(001) SURFACE

1996 ◽  
Vol 03 (03) ◽  
pp. 1487-1494
Author(s):  
J.W. CHUNG
Keyword(s):  
Electronic Properties ◽  
Binding Sites ◽  
Room Temperature ◽  
Structural Models ◽  
Metallic Phase ◽  
Surface Band ◽  
Ordered Structures ◽  
Initial Stage ◽  
Structural And Electronic Properties ◽  
Characteristic Features

Atomic arrangements and electronic properties of the Li-adsorbed Si(001) surface are briefly reviewed. Characteristic features of a series of ordered structures with increasing Li coverage at room temperature are described. Structural models invoking a dimer flipping mechanism are discussed for the first two ordered structures, (2×2)-Li and (2×1)-Li, which are proposed as reconstructions of the silicon substrate. It is shown that the metallic phase found at an initial stage of adsorption is a result of substrate metallization, which explains the presence of an intraband surface plasmon. The features of the surface band structures for the first two ordered structures are discussed in terms of variation of the binding sites with coverage. All the unique features of the Li/Si(001) surface essentially exhibit the size effects of Li.

scholarly journals Synthesis and electrical characterization of Ca2Nd4Ti6O20 ceramics

2016 ◽  
Vol 34 (1) ◽  
pp. 164-168
Author(s):  
Raz Muhammad ◽  
Muhammad Uzair ◽  
M. Javid Iqbal ◽  
M. Jawad Khan ◽  
Yaseen Iqbal ◽  
...  
Keyword(s):  
Activation Energy ◽  
Dielectric Constant ◽  
Room Temperature ◽  
Sol Gel ◽  
Electrical Characterization ◽  
Sintered Sample ◽  
First Time ◽  
Alkoxide Precursors ◽  
Room Temperature Dielectric Constant

AbstractCa2Nd4Ti6O20, a layered perov skite structured material was synthesized via a chemical (citrate sol-gel) route for the first time using nitrates and alkoxide precursors. Phase analysis of a sample sintered at 1625 °C revealed the formation of an orthorhombic (Pbn21) symmetry. The microstructure of the sample after sintering comprised rod-shaped grains of a size of 1.5 to 6.5µm. The room temperature dielectric constant of the sintered sample was 38 at 100 kHz. The remnant polarization (Pr) and the coercive field (Ec) were about 400 μC/cm2 and 8.4 kV/cm, respectively. Impedance spectroscopy revealed that the capacitance (13.7 pF) and activation energy (1.39 eV) of the grain boundary was greater than the capacitance (5.7 pF) and activation energy (1.13 eV) of the grain.

Room Temperature Band-Edge Luminescence from Silicon Grains Prepared by the Recrystallization of Mesoporous Silicon

1996 ◽  
Vol 452 ◽  
Author(s):  
Karen L. Moore ◽  
Leonid Tsybeskov ◽  
Philippe M. Fauchet ◽  
Dennis G. Hall
Keyword(s):  
Room Temperature ◽  
Silicon Oxide ◽  
Crystalline Silicon ◽  
Band Edge ◽  
Applied Bias ◽  
Mesoporous Silicon ◽  
Room Temperature Photoluminescence ◽  
Band Edge Luminescence ◽  
A Current ◽  
Better Than

AbstractRoom-temperature photoluminescence (PL) peaking at 1.1 eV has been found in electrochemically etched mesoporous silicon annealed at 950°C. Low-temperature PL spectra clearly show a fine structure related to phonon-assisted transitions in pure crystalline silicon (c-Si) and the absence of defect-related (e.g.P-line) and impurity-related (e.g.oxygen, boron) transitions. The maximum PL external quantum efficiency (EQE) is found to be better than 0.1% with a weak temperature dependence in the region from 12K to 400K. The PL intensity is a linear function of excitation intensity up to 100 W/cm2. The PL can be suppressed by an external electric field ≥ 105 V/cm. Room temperature electroluminescence (EL) related to the c-Si band-edge is also demonstrated under an applied bias ≤ 1.2 V and with a current density ≈ 20 mA/cm2. A model is proposed in which the radiative recombination originates from recrystallized Si grains within a non-stoichiometric Si-rich silicon oxide (SRSO) matrix.

The mechanism at the initial stage of the room-temperature oxidation of coal

2005 ◽  
Vol 140 (4) ◽  
pp. 332-345 ◽  
Author(s):  
Ting Shi ◽  
Xiaofang Wang ◽  
Jun Deng ◽  
Zhenyi Wen
Keyword(s):  
Room Temperature ◽  
Temperature Oxidation ◽  
Initial Stage

About the Electrical Activation of 1×1020 cm-3 Ion Implanted Al in 4H-SiC at Annealing Temperatures in the Range 1500 - 1950°C

2018 ◽  
Vol 924 ◽  
pp. 333-338 ◽  
Author(s):  
Roberta Nipoti ◽  
Alberto Carnera ◽  
Giovanni Alfieri ◽  
Lukas Kranz
Keyword(s):  
Activation Energy ◽  
Sheet Resistance ◽  
Annealing Time ◽  
Thermal Activation ◽  
Room Temperature ◽  
Annealing Temperature ◽  
Thermal Activation Energy ◽  
Electrical Activation ◽  
Temperature Range ◽  
Annealing Temperatures

The electrical activation of 1×1020cm-3implanted Al in 4H-SiC has been studied in the temperature range 1500 - 1950 °C by the analysis of the sheet resistance of the Al implanted layers, as measured at room temperature. The minimum annealing time for reaching stationary electrical at fixed annealing temperature has been found. The samples with stationary electrical activation have been used to estimate the thermal activation energy for the electrical activation of the implanted Al.

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