Electrochemical Lithium Intercalation into Nb2O5Cathode for 2 V Class-Secondary Lithium Batteries

1999 ◽  
Vol 575 ◽  
Author(s):  
Naoaki Kumagai ◽  
Shinichi Komaba ◽  
Nobuko Kumagai
Keyword(s):  
Lithium Battery ◽  
Lithium Intercalation ◽  
Free Energies ◽  
Discharge Performance ◽  
Self Diffusion ◽  
Diffusion Constants ◽  
Secondary Lithium Batteries ◽  
A Cell ◽  
Kinetics Of ◽  
Crystal Lattice Parameters

ABSTRACTNb2O5powder was prepared by heating niobium hydroxide in the temperature range from 600 to 1000°C. The crystal system of Nb2O5compounds depended on the heating temperatures,i.e., hexagonal, orthorhombic and monoclinic Nb2O5compounds were obtained at 600, 800 and 1000°C, respectively. Electrochemical lithium intercalation into the three Nb2O compounds was investigated in a cell with an LiClO4-propylene carbonate electrolytic solution for the application as lithium battery cathodes. As a result, they displayed good charge-discharge performance as the cathode of 2 V class-lithium battery, which will play important role in power supply for IC memory backup developed recently. The thermodynamics and kinetics of the lithium intercalation into the Nb2O5cathode have been investigated. The thermodynamic parameters, such as standard free energies, lithium partial molar entropy, interaction energies between ions, the crystal lattice parameters, and the kinetic parameters, such as chemical and self diffusion constants, have been obtained as a function ofx-value in LiNb2O5.

Model for Epitaxial growth of Cobalt on CU(100)

1989 ◽  
Vol 160 ◽  
Author(s):  
Dimitri D. Vvedensky ◽  
Shaun Clarke
Keyword(s):  
Epitaxial Growth ◽  
Growth Kinetics ◽  
Solid Model ◽  
Free Energies ◽  
Diffusion Parameters ◽  
The Difference ◽  
Kinetics Of

AbstractThe epitaxial growth kinetics of Co on Cu(100) are investigated with a kinetic solid-on-solid model. Two effects are found to dominate the growth of this system reflecting the difference in surface free energies betweenthe two materials: the difference of diffusion parameters, and the inability of Co to wet Cu(100) at lower temperatures.

Vacancy-Mediated Diffusion and Diffusion-Controlled Processes in Ordered Binary Intermetallics by Kinetic Monte Carlo Simulations

2021 ◽  
Vol 29 ◽  
pp. 95-115
Author(s):  
Rafal Kozubski ◽  
Graeme E. Murch ◽  
Irina V. Belova
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Simulation Studies ◽  
Self Diffusion ◽  
Monte Carlo Techniques ◽  
Diffusion Controlled ◽  
Kinetic Monte Carlo Simulations ◽  
Kinetic Effects ◽  
Kinetics Of ◽  
And Diffusion

We review the results of our Monte Carlo simulation studies carried out within the past two decades in the area of atomic-migration-controlled phenomena in intermetallic compounds. The review aims at showing the high potential of Monte Carlo methods in modelling both the equilibrium states of the systems and the kinetics of the running processes. We focus on three particular problems: (i) the atomistic origin of the complexity of the ‘order-order’ relaxations in γ’-Ni3Al; (ii) surface-induced ordering phenomena in γ-FePt and (iii) ‘order—order’ kinetics and self-diffusion in the ‘triple-defect’ β-NiAl. The latter investigation demonstrated how diverse Monte Carlo techniques may be used to model the phenomena where equilibrium thermodynamics interplays and competes with kinetic effects.

Kinetics of lithium intercalation into 2H-TaS2

1979 ◽  
Vol 65 (1) ◽  
pp. 146-149 ◽  
Author(s):  
T. Butz ◽  
H. Saitovitch ◽  
A. Lerf
Keyword(s):  
Lithium Intercalation ◽  
Kinetics Of

scholarly journals A rapid method for determining diffusion constants in solution

1948 ◽  
Vol 192 (1030) ◽  
pp. 382-402 ◽  
Keyword(s):  
Monochromatic Light ◽  
Diffusion Constant ◽  
Initial Boundary ◽  
Optic Axis ◽  
Theory And Practice ◽  
Dilute Solution ◽  
Sharp Boundary ◽  
Diffusion Constants ◽  
A Cell ◽  
Molecular Substances

A method has been rediscovered, and developed in theory and practice, for optical observation of the earliest stages of diffusion across an initially sharp boundary between a dilute solution and a solvent. It enables the diffusion constant of a monodisperse solute to be measured about fifty times as quickly as by other methods, at lower concentration and possibly with greater accuracy; it should therefore be particularly valuable for the study of high molecular substances. The method is based on the interference pattern which is formed when monochromatic light from a horizontal slit is focused after passing through a cell where diffusion is occurring. The pattern, a set of horizontal bands, contracts towards the optic axis as diffusion proceeds, at a rate from which the diffusion constant can be calculated. By counting the bands in the pattern the refractive increment of the solute can be determined. The sharp initial boundary is obtained by flowing the solution and solvent out through a common narrow horizontal slit. The construction, calibration, and use of the apparatus are described.

scholarly journals THE TIME OF SYNTHESIS AND THE CONSERVATION OF MITOSIS-RELATED PROTEINS IN CULTURED HUMAN AMNION CELLS

1967 ◽  
Vol 34 (1) ◽  
pp. 97-110 ◽  
Author(s):  
Jesse E. Sisken ◽  
Elaina Wilkes
Keyword(s):  
Time Lapse ◽  
Major Effect ◽  
Human Amnion ◽  
Daughter Cells ◽  
Low Concentrations ◽  
Associated Proteins ◽  
A Cell ◽  
Quantitative Analyses ◽  
Related Proteins ◽  
Kinetics Of

p-Fluorophenylalanine (PFPA), an analogue of phenylalanine which may be incorporated into proteins, increases the duration of mitosis. In the present experiments, based upon quantitative analyses of time-lapse cinemicrographic films, brief treatments of cells with PFPA are shown to affect the duration of metaphase in only those cells which enter division during or shortly after treatment. The offspring of cells with prolonged metaphases also tend to have prolonged metaphases. Analyses of the kinetics of the appearance of prolonged metaphases indicate that some protein specifically associated with mitosis is synthesized primarily during a period which corresponds closely to G2. The manner in which the defect is passed on to daughter cells indicates that the protein involved is conserved and reutilized by daughter cells for their subsequent divisions. Comparable experiments performed with low concentrations of puromycin indicate that the major effect of PFPA is due to its incorporation into protein rather than its ability to inhibit protein synthesis. The fact that puromycin-induced effects can also be passed on to daughter cells is interpreted to mean that cells make only specific amounts of some mitosis-associated proteins and that if a cell "inherits" a deficiency in such protein it is not able to compensate for the deficiency.

scholarly journals Unexpected Resistance to Base-Catalyzed Hydrolysis of Nitrogen Pyramidal Amides Based on the 7-Azabicyclic[2.2.1]heptane Scaffold

Molecules ◽  
2018 ◽  
Vol 23 (9) ◽  
pp. 2363 ◽  
Author(s):  
Diego Ocampo Gutiérrez de Velasco ◽  
Aoze Su ◽  
Luhan Zhai ◽  
Satowa Kinoshita ◽  
Yuko Otani ◽  
...  
Keyword(s):  
Nitrogen Atom ◽  
Amide Bond ◽  
Free Energies ◽  
Amide Nitrogen ◽  
Bond Rotation ◽  
Entropy Term ◽  
And Inversion ◽  
Kinetics Of ◽  
Hydrolysis Of ◽  
Amide Nitrogen Atom

Non-planar amides are usually transitional structures, that are involved in amide bond rotation and inversion of the nitrogen atom, but some ground-minimum non-planar amides have been reported. Non-planar amides are generally sensitive to water or other nucleophiles, so that the amide bond is readily cleaved. In this article, we examine the reactivity profile of the base-catalyzed hydrolysis of 7-azabicyclo[2.2.1]heptane amides, which show pyramidalization of the amide nitrogen atom, and we compare the kinetics of the base-catalyzed hydrolysis of the benzamides of 7-azabicyclo[2.2.1]heptane and related monocyclic compounds. Unexpectedly, non-planar amides based on the 7-azabicyclo[2.2.1]heptane scaffold were found to be resistant to base-catalyzed hydrolysis. The calculated Gibbs free energies were consistent with this experimental finding. The contribution of thermal corrections (entropy term, –TΔS‡) was large; the entropy term (ΔS‡) took a large negative value, indicating significant order in the transition structure, which includes solvating water molecules.

Sign in / Sign up

Export Citation Format

Share Document