ProgramMaster Logo
Conference Tools for 2016 TMS Annual Meeting & Exhibition
Register as a New User
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Abstract
Meeting 2016 TMS Annual Meeting & Exhibition
Symposium 2016 Technical Division Student Poster Competition
Presentation Title SPG-20: Why Does Li-rich Layered Oxide Cathode Material Degrade in Lithium Ion Batteries?
Author(s) Yu-cheng Chuang, Ping-chun Tsai, Shih-kang Lin
On-Site Speaker (Planned) Yu-cheng Chuang
Abstract Scope To develop a novel energy storage device with high power density, the Li-rich layered oxide (LLOs) is a promising cathode material. A previous work reported, a unique charge-discharge performance for this material, i.e., first run exhibits slope-change and a plateau but not observed in the following runs. However in literature, interpretations of the mechanism based on experiments are controversial. First-principles calculation based on DFT were employed to simulate the lattice stability of xLi2MnO3•(1-x)Li(Ni1/3Mn1/3Co1/3)O2 composite-layered cathode materials on the first charging. The atomistic models based on both monoclinic (C2/m) and rhombohedral (R3m) structures for the pristine Li2MnO3 and Li(Ni1/3Mn1/3Co1/3)O2 phases were constructed, respectively. The calculated XRD patterns based on the optimized structures xLi2MnO3•(1-x)Li(Ni1/3Mn1/3Co1/3)O2 with x = 0.0, 0.3, 0.5, and 0.7 agree closely with experimental data. Based on the most energetically favorable atomistic models, convex hull analyses were performed to investigate the mechanism of Li-ion intercalation during charging/discharging.
Proceedings Inclusion? Definite: None Selected


SPG-10: Comparison on Electrochemical Migration Behavior of Fine-pitch Ag Interconnects Prepared by Screen Printing and Lithography Methods
SPG-11: High-Performance Anode Material Using Hierarchical Micro-Lamella-Structured 3D Porous Copper Current Collector for Advanced Lithium-Ion Batteries
SPG-12: Interfacial Reaction in Cu/Pb-free Solders during Solid-state Aging Process
SPG-13: Interfacial Reactions at the Joints of Bi2Te3-based Thermoelectric Devices
SPG-14: Liquidus Projection of the Bi-In-Te Thermoelectric Material System
SPG-15: Mechanical, Ferroelastic and Piezoelectric Behavior of Highly Textured PZT Films
SPG-16: Morphology and Microstructure of Ag Alloy Wire for Electronic Packaging under Electromigration
SPG-17: Oxide-coated Fe Powders for SMC Applications
SPG-18: Ultrathin Tantalum Based Power Capacitors with Low Leakage and High Operating Frequency
SPG-19: Why Does Electromigration Occur? – A Combinatorial Study Using Ab Initio Calculations and Synchrotron Radiation Diffractometry
SPG-1: Isothermal Reduction Behavior of CF(calcium ferrite) with Addition of Al2O3
SPG-20: Why Does Li-rich Layered Oxide Cathode Material Degrade in Lithium Ion Batteries?
SPG-21: A Study On Recrystallization and Grain Growth in Pure Magnesium
SPG-22: Application of Computational Thermodynamics & Kinetics to Rare Earth Reduction in Magnesium Alloys
SPG-23: Coupled Infrared Thermography and Digital Image Correlation for Advanced Characterization of Material Behavior during Hot Stamping
SPG-24: Dissimilar Metal Casting
SPG-25: Effect of Milling Time on Morphology and Properties of a New Mechanical Alloyed Fe-base ODS Alloy Powder
SPG-26: Effect of NbB2 Nanoparticles on the Portevin-Le Chatelier Phenomenon in Al-Mg Alloys
SPG-27: Influence of Processing on the Microstructure and Tensile Behavior of HPDC Mg AM Series Alloys
SPG-28: On the Microstructure and Properties of Supersaturated Al-Zn-Mg Alloy Fabricated by Friction Stir Processing
SPG-29: Thermodynamic & Kinetic Model Application to Strengthening Mechanisms of Aluminum Alloys for Additive Manufacturing
SPG-2: Low Energy Method to Separate Magnetite Generated By Reduction of Bauxite Residue
SPG-30: A Study of the Microstructural Evolution of Powder Aluminum Alloys after Thermal Processing
SPG-32: Dissolution Behavior of Ni Substrate and Ni3Sn4 Phase in Molten Lead-free Solders
SPG-33: Experimental Design Analysis of Stir Casting of Enhanced Aluminum Filler Reinforced with NbB2 Nanoparticles
SPG-35: Joining 1018 Steel to 304L Stainless Steel by Friction and Fusion Welding
SPG-36: Mechanical Characterization of Free Form Cold Spray Al 1100 Deposits
SPG-37: Nano-Strength Testing of Additive Manufactured Parts Using Atomic Force Microscopy
SPG-38: On the Atomistic Mechanism of Solid State Bonding Between Aluminum by Severe Thermal Plastic Deformation: A Molecular Dynamics Study
SPG-39: Phase Equilibria of the Sn-Fe-Ni Ternary System at 270oC
SPG-3: Non-isothermal Crystallization Behavior of CF with Addition of SiO2
SPG-40: Predicting the Stagnant Zone of Material Flow during Friction Stir Welding by Using a Novel Computational Fluid Dynamics Model
SPG-41: Printing of Graphene-coated Copper Nano-ink on Flexible Substrate Using Light Sintering Method
SPG-42: Choice of Intermetallic Compounds for Structural Applications in Near Submicron Joints
SPG-43: Cross Polarization for Enhanced Digital Image Correlation Fidelity
SPG-44: Cross Slip at a Screw Dislocation Pile-up: A Concurrent Atomistic-continuum Study
SPG-45: Differential Responses of Head and Neck Cancer Cell Lines Induced by N2/He Micro-plasma Exposure
SPG-46: Effect of Annealing Temperature on Tensile Properties and Hole Expansion Behavior of Fe-Mn-Al-C Dual Phase Light-weight Steel
SPG-47: Effect of Chemistry and Microstructure on the Toughness of C- Mo Steel
SPG-48: Effect of Friction Stir Processing on Microstructure and Mechanical Properties of Cast Eglin Steel (ES-1)
SPG-49: Effect Of Increasing Temperature On Cracking Behavior of Titanium Alloys During Hot Salt Stress Corrosion Cracking (HSSCC)
SPG-4: On the Effect of Mo on Austenite-ferrite Transformation Kinetics
SPG-50: Effects of Friction Stir Processing on Toughness of WE43 Thin Sheets
SPG-51: Friction Stir Welding of Thick Aluminum 7449 Alloys
SPG-52: Investigations on the Combustion Behavior of Ti-6Al-4V Alloy Exposed to Atmospheric Re-entry Environments
SPG-53: Nanomechanical Study of Mechanical Properties
SPG-54: New Developments in the Rolling Contact Fatigue of M50 Bearing Steel
SPG-55: Purification of Metallurgical-Grade Silicon Prepared from Rice Husk Ash Using Tin as Impurity Getter
SPG-56: Synchrotron Study on the Thermal Stability of Retained Austenite in High-carbon Chromium Steels
SPG-57: Strength Prediction in NiCo Alloys - The Role of Composition and Nanotwins
SPG-5: Solvent Extraction of Lanthanum (III) Using PC-88A Extractant Diluted in Kerosene
SPG-6: Synthesis of Nanocrystalline Tungsten Carbide (WC) via Carburization of WO42- on an Activated Carbon Matrix
SPG-7: Synthesis of Stable and Metastable Phases in the Ni-Si System by Mechanical Alloying
SPG-8: A Novel Effect of Ag3Sn: Effective Suppression of Thermomigration-induced Cu Dissolution in Micro-scale Pb-free Interconnects
SPG-9: An Eco-friendly Red Phosphor with Very High Intensity
SPU-10: Selective Dissolution of Al-Cu-Mg Alloys for Porous Metals Applications
SPU-11: Biomimetic Narce Composite Synthesis
SPU-12 : Effect of Heat Treatment and Chemical Composition on the High Temperature Hydrogen Attack (HTHA) Resistance of C-1/2 Mo Steels
SPU-13 : Generalized Stacking Fault Energies of Multicomponent Alloys
SPU-14 : High Strength Air-entrained Concrete with Partial Replacement of Fly Ash and Nanostructured Silica
SPU-15 : Micro-Tensile Testing on Proton Beam-Irradiated 304 SS
SPU-1: Characterization of Inclusions in High Strength Interstitial Free (IF) Steel
SPU-2: Separation and Recovery of Rare Earth Elements Using Ion Exchange
SPU-3: Synthesis of Aluminum Multiwalled Carbon Nanotubes by Mechanical Alloying and Sintering
SPU-4: Crosslinked Poly(Ethylene Glycol) Solid Polymer Electrolytes for Lithium-Metal Batteries
SPU-5: First Principles Study of Lattice Disordering in CuNiMnAl and CuNiMnSn Heusler Alloys
SPU-6: Nanofabrication and Characterization of Quasi-Crystal Metasurfaces Using Shadow-Sphere Lithography
SPU-7: Processing, Microstructure, and Oxidation Behavior of Iron Foam
SPU-8: Study of Thermomechanical Properties of an Al-Zn Matrix Reinforced with Dodecaboride Particles
SPU-9: Microstructural Evolution and Aging Behavior In a Ni-21Ti-25Hf-4Al Alloy

Questions about ProgramMaster? Contact