Molecular Dynamics Simulations of Li Insertion in a Nanocrystalline V 2 O 5 Thin Film Cathode
The behavior of lithium ion diffusion from an electrolyte into a polycrystalline layered cathode has been studied using molecular dynamics computer simulations. Lithium silicate glass was the model solid electrolyte whilethe cathode was a nanocrystalline vanadia with amorphous V 2 O 5 intergranular films (IGF) between the crystals. Nanosized V 2 O 5 crystals were aligned with their (001) planes parallel to electrolyte/cathode interface, rotated 90° from each other around this interface's normal in order to present two different orientations between the crystal planes for lithium intercalation via the amorphous vanadia IGF. A series of nanocrystalline vanadia cathodes with different IGF thicknesses was simulated to examine the effects of the IGF thickness on lithium transport into the cathodes. Results showed preferential diffusion of Li from the electrolyte into the amorphous vanadia IGF, with some of those Li diffusing into the crystalline V 2 O 5 from the IGF. Results also showed easier lithium diffusion from the IGF into the V 2 O 5 crystal along the (010) direction than along the (100) direction. Additionally, an optimum IGF thickness of 2.5-3.0 nm is suggested as being neither too thick to decrease the capacity of the cathode nor too thin to impede the transport of lithium from glassy electrolyte into the cathode.
Interfacial engineering of solid electrolytes
Abstract The roles of interfaces in either blocking or enhancing ionic conduction in various types of solid electrolytes, including lithium, sodium, oxygen and other types of ion conductors as well as proton conductors, are critically reviewed. Two important fundamental interfacial phenomena, namely the formation of space charges and two-dimensional interfacial phases (complexions), can markedly alter ion transport along or across various types of interfaces, including grain and phase boundaries as well as free surfaces. Since the experiments and models of space charges have been well documented in literature, a new focus of this short review and viewpoint article is to propose and discuss an emerging opportunity of utilizing the formation and transition of interfacial phases to either alleviate the blocking effects or further enhance ionic conduction in solid electrolytes.
Physical Processes in Inorganic Scintillators
BASIC PRINCIPLES AND PROCESSES Physical Mechanism of Scintillation Creation of Electron Hole Pairs Excitation and Emission of Luminescence Centers Scintillation Materials Halides Oxides and Oxide Systems Chalcogenides Glasses Interaction of Ionizing Radiation with Scintillators High Energy Photons Charged Particles Neutral Particles General Characteristics of Inorganic Scintillators Light Yield Duration of Scintillation Pulse Afterglow Temperature Response Optical Properties Radiation Hardness Density Emission Spectra Mechanical and Chemical Properties Physical Parameters Cost Consideration Scintillator Requirements in Various Applications High Energy Physics Intermediate Energy Physics Positron Emission Tomography Gamma Spectroscopy Energy Resolution Intrinsic Scintillator Resolution Nonproportional Response Time Resolution Low Energy Quanta and Electrons CONVERSION OF ELECTRONIC EXCITATIONS IN SOLIDS Charge Carrier Behaviors Delta Rays Secondaries Excitation of Luminescence Centers Effect of Ionization Density Energy Losses Simple Phenomenological Model Plasmon Model Polaron Model Scintillation Yield Spectra Vacuum Ultraviolet Region Ultrasoft X-Rays X-Rays Gamma Rays Heavy Ionizing Particles INTRINSIC LUMINESCENCE OF INORGANIC SCINTILLATORS Excitonic Luminescence Alkali Halide Crystals Alkaline-Earth Fluorides Ternary Halide Compounds Excitonic-Like Luminescence Cesium Iodide Tungstate and Molybdate Phosphors Core-to-Valence Transitions First Evidence for Radiative Core-to-Valence Transitions Excitation Spectra Emission Spectra Experiment Theory Luminescence Kinetics Experimental Theoretical Investigations Temperature Dependence of Luminescence Parameters Conditions of Detection Prospects for Research EXTRINSIC LUMINESCENCE OF INORGANIC SCINTILLATORS Thallium-Activated Halide Scintillators Crystals with NaCl-Type Structure Crystals with CsCl-Type Structure Other Thallium-Based and Thallium-Doped Crystals Crystals Containing Other ns2 Ions Bismuth Germanate (BGO) Sodium-Activated Cesium Iodide Rare-Earth-Activated Crystals General Considerations Europium-Activated Crystals Cerium-Activated Compounds Preliminary Comments LaF3-CeF3 Systems Cerium Chloride Barium Fluoride Gadolinium-Containing Crystals Lu- and Y-Containing Crystals Nd- and Pr-Activated Crystals DEFECT FORMATION BY IONIZING RADIATION Effect on Scintillator Characteristics Mechanisms of Defect Formation Efficiency of Defect Production Geometrical Factor Separation between F and H Centers Temperature Dependence of Production Efficiency Role of Halogen Ion Impurities Effect of Cation Impurities Formation Time of F-H Pairs Closing Comments References Index