scholarly journals Thermal stability of water polyhedra with square faces

2021 ◽  
Author(s):  
Sergey V. Gudkovskikh ◽  
Mikhail Kirov
Keyword(s):  
Surface Defects ◽  
Water Clusters ◽  
Cluster Center ◽  
Hydrogen Atoms ◽  
Two Factors ◽  
Different Temperatures ◽  
Proton Disorder ◽  
The Stability ◽  
Stability Of Water ◽  
Amoeba Force Field

Abstract The ability to form numerous crystalline modifications of ice and gas hydrate frameworks is a characteristic feature of water. In fact, this structural variety is much wider due to the proton disorder. Configurations with different arrangements of hydrogen atoms (protons) in hydrogen bonds are not equivalent in their properties. Polyhedral water clusters are convenient objects for studying the effect of proton disorder on the properties of ice-like systems. It was previously established that the stability of water polyhedra is determined by the competition of two factors. The geometric factor gives preference to tetrahedrally coordinated structures with a large number of pentagonal faces. The topological factor takes into account the number of energetically most favorable types of H-bonds. This number increases with the number of square faces. It was found that tetrahedrally coordinated structures are not the most stable. However, these calculations were performed without taking thermal effects into account [Kirov M. V., J. Phys. Chem. A, 2020, 124, 4463−4470]. The purpose of the present article is to study the structural stability of various water polyhedra at different temperatures. In the course of modeling, using the Amoeba force field, the advantage of configurations with a large number of square faces is demonstrated. The structure and energetics of surface defects are studied. Several very stable structures of unusual shape were found, including polyhedra which contain 4-coordinated molecules and polyhedra whose O–H groups are directed to the cluster center. The comparative analysis of cluster stability includes the temperature intervals of melting-like transitions.

Microstructure of sputter deposited Ni-Sb ohmic contacts on GaAs

1989 ◽  
Vol 47 ◽  
pp. 450-451
Author(s):  
S. Yegnasubramanian ◽  
V.C. Kannan ◽  
R. Dutto ◽  
P.J. Sakach
Keyword(s):  
High Performance ◽  
Ohmic Contacts ◽  
Surface Defects ◽  
Pure Metal ◽  
Device Fabrication ◽  
Native Oxide ◽  
Metal Thin Films ◽  
Recent Developments ◽  
Different Temperatures ◽  
Sputter Deposited

Recent developments in the fabrication of high performance GaAs devices impose crucial requirements of low resistance ohmic contacts with excellent contact properties such as, thermal stability, contact resistivity, contact depth, Schottky barrier height etc. The nature of the interface plays an important role in the stability of the contacts due to problems associated with interdiffusion and compound formation at the interface during device fabrication. Contacts of pure metal thin films on GaAs are not desirable due to the presence of the native oxide and surface defects at the interface. Nickel has been used as a contact metal on GaAs and has been found to be reactive at low temperatures. Formation Of Ni2 GaAs at 200 - 350C is reported and is found to grow epitaxially on (001) and on (111) GaAs, but is shown to be unstable at 450C. This paper reports the investigations carried out to understand the microstructure, nature of the interface and composition of sputter deposited and annealed (at different temperatures) Ni-Sb ohmic contacts on GaAs by TEM. Attempts were made to correlate the electrical properties of the films such as the sheet resistance and contact resistance, with the microstructure. The observations are corroborated by Scanning Auger Microprobe (SAM) investigations.

H NMR Evidence for a Change in The Local Hydrogen Environment of Sites Associated with the Staebler-Wronski Effect in a-Si:H

2002 ◽  
Vol 715 ◽  
Author(s):  
T. Su ◽  
Robin Plachy ◽  
P. C. Taylor ◽  
S. Stone ◽  
G. Ganguly ◽  
...  
Keyword(s):  
Line Shape ◽  
Defect Density ◽  
Hydrogen Atoms ◽  
Hydrogen Environment ◽  
H Nmr ◽  
Line Shapes ◽  
Different Temperatures ◽  
Staebler Wronski Effect

AbstractWe study the H NMR line shapes of a sample of a-Si:H under several conditions: 1) as grown, 2) light-soaked for 600 hours, and 3) light-soaked followed by annealing at different temperatures. At T = 7 K, the NMR line shape of the sample after light soaking exhibits an additional doublet compared to that of the sample as-grown. This doublet is an indication of a closely separated hydrogen pair. The distance between the two hydrogen atoms is estimated to be about (2.3 ± 0.2) Å. The concentration of these hydrogen sites is estimated to be between 1017 and 1018 cm-3 consistent with ESR measurements of the defect density after light soaking. This doublet disappears after the sample is annealed at 200°C for 4 hours.

Effect of particle concentration on the stability of water-based SiO2 nanofluid

2021 ◽  
Vol 379 ◽  
pp. 457-465
Author(s):  
Tiancheng Zhang ◽  
Quanle Zou ◽  
Zhiheng Cheng ◽  
Zihan Chen ◽  
Ying Liu ◽  
...  
Keyword(s):  
Particle Concentration ◽  
Water Based ◽  
The Stability ◽  
Stability Of Water

scholarly journals Effect of Growth Temperature on the Characteristics of CsPbI3-Quantum Dots Doped Perovskite Film

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4439
Author(s):  
Shui-Yang Lien ◽  
Yu-Hao Chen ◽  
Wen-Ray Chen ◽  
Chuan-Hsi Liu ◽  
Chien-Jung Huang
Keyword(s):  
Thin Films ◽  
Thermal Stability ◽  
Quantum Dots ◽  
Quantum Dot ◽  
Growth Temperature ◽  
Electron Mobility ◽  
Surface Defects ◽  
Different Temperatures ◽  
Pb Doping ◽  
Pristine Film

In this study, adding CsPbI3 quantum dots to organic perovskite methylamine lead triiodide (CH3NH3PbI3) to form a doped perovskite film filmed by different temperatures was found to effectively reduce the formation of unsaturated metal Pb. Doping a small amount of CsPbI3 quantum dots could enhance thermal stability and improve surface defects. The electron mobility of the doped film was 2.5 times higher than the pristine film. This was a major breakthrough for inorganic quantum dot doped organic perovskite thin films.

scholarly journals A Superhydrophobic, Antibacterial, and Durable Surface of Poplar Wood

Nanomaterials ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1885
Author(s):  
Xinyu Wu ◽  
Feng Yang ◽  
Jian Gan ◽  
Zhangqian Kong ◽  
Yan Wu
Keyword(s):  
Stearic Acid ◽  
Antibacterial Properties ◽  
Alkali Resistance ◽  
Poplar Wood ◽  
X Ray Diffraction ◽  
X Ray ◽  
Different Temperatures ◽  
Acid And Alkali Resistance ◽  
The Stability

The silver particles were grown in situ on the surface of wood by the silver mirror method and modified with stearic acid to acquire a surface with superhydrophobic and antibacterial properties. Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and X-ray energy spectroscopy (XPS) were used to analyze the reaction mechanism of the modification process. Scanning electron microscopy (SEM) and contact angle tests were used to characterize the wettability and surface morphology. A coating with a micro rough structure was successfully constructed by the modification of stearic acid, which imparted superhydrophobicity and antibacterial activity to poplar wood. The stability tests were performed to discuss the stability of its hydrophobic performance. The results showed that it has good mechanical properties, acid and alkali resistance, and UV stability. The durability tests demonstrated that the coating has the function of water resistance and fouling resistance and can maintain the stability of its hydrophobic properties under different temperatures of heat treatment.

scholarly journals An assessment of methanolysis and other factors used in the analysis of carbohydrate-containing materials

1971 ◽  
Vol 125 (4) ◽  
pp. 1009-1018 ◽  
Author(s):  
R. E. Chambers ◽  
J. R. Clamp
Keyword(s):  
Hydrochloric Acid ◽  
Analytical Procedure ◽  
Internal Standard ◽  
Inorganic Contaminants ◽  
Rotary Evaporation ◽  
Silver Salts ◽  
Methanolic Hydrochloric Acid ◽  
Different Temperatures ◽  
The Stability ◽  
Analytical System

The stability of monosaccharides in methanolic hydrochloric acid of different strengths and at different temperatures was determined. They are generally stable for 24h in methanolic 1m- and 2m-hydrochloric acid at both 85°C and 100°C, but undergo considerable destruction in methanolic 4m- and 6m-hydrochloric acid at 100°C. Analysis of glycopeptides and oligosaccharides of known composition showed that release of carbohydrate was complete within 3h in methanolic 1m-hydrochloric acid at 85°C. Removal of methanolic hydrochloric acid by rotary evaporation resulted in considerable losses of monosaccharides, which could be prevented by prior neutralization. Methanolysis caused extensive de-N-acetylation of acetamidohexoses, so that a re-N-acetylation step is necessary in the analytical procedure. The addition of acetic anhydride for this purpose also prevented loss of internal standard by adsorption on the insoluble silver salts used in neutralization. Several trimethylsilylating agents were studied and suitable conditions are recommended. The effects on the analytical system of water and some common organic and inorganic contaminants are assessed.

scholarly journals Influence of study model, baseline catalytic concentrations and analytical system on the stability of serum alanine aminotransferase

2020 ◽  
Vol 1 (2) ◽  
Author(s):  
Josep Miquel Bauça ◽  
Andrea Caballero ◽  
Carolina Gómez ◽  
Débora Martínez-Espartosa ◽  
Isabel García del Pino ◽  
...  
Keyword(s):  
Alanine Aminotransferase ◽  
Experimental Models ◽  
Individual Variability ◽  
Serum Samples ◽  
Multicentric Study ◽  
Different Temperatures ◽  
The Stability ◽  
Analytical System ◽  
Definition Of ◽  
Analytical Platforms

AbstractObjectivesThe stability of the analytes most commonly used in routine clinical practice has been the subject of intensive research, with varying and even conflicting results. Such is the case of alanine aminotransferase (ALT). The purpose of this study was to determine the stability of serum ALT according to different variables.MethodsA multicentric study was conducted in eight laboratories using serum samples with known initial catalytic concentrations of ALT within four different ranges, namely: <50 U/L (<0.83 μkat/L), 50–200 U/L (0.83–3.33 μkat/L), 200–400 U/L (3.33–6.67 μkat/L) and >400 U/L (>6.67 μkat/L). Samples were stored for seven days at two different temperatures using four experimental models and four laboratory analytical platforms. The respective stability equations were calculated by linear regression. A multivariate model was used to assess the influence of different variables.ResultsCatalytic concentrations of ALT decreased gradually over time. Temperature (−4%/day at room temperature vs. −1%/day under refrigeration) and the analytical platform had a significant impact, with Architect (Abbott) showing the greatest instability. Initial catalytic concentrations of ALT only had a slight impact on stability, whereas the experimental model had no impact at all.ConclusionsThe constant decrease in serum ALT is reduced when refrigerated. Scarcely studied variables were found to have a significant impact on ALT stability. This observation, added to a considerable inter-individual variability, makes larger studies necessary for the definition of stability equations.

Water Binding Stabilizes Stacked Conformations of Ferrocene Containing Sheet-like Aromatic Oligoamides

2021 ◽  
Author(s):  
Ya-zhou Liu ◽  
Xiao Mu ◽  
Chieh-Kai Chan ◽  
Koen Robeyns ◽  
Cheng-Chung Wang ◽  
...  
Keyword(s):  
Essential Role ◽  
Water Clusters ◽  
Water Binding ◽  
Biological Structures ◽  
The Stability

While water clusters play an essential role in the stability of biological structures, their ability to stabilize synthetic oligomers is less understood. We have synthesized a heptameric sheet-like aromatic oligoamide...

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