Topic 8: Computational Work III

1208

Cluster-Based Reduced-Order Modeling of Lithium-Ion Battery (Cancelled)

1209

Design of High Rate Performance Sodium-Ion Battery Cathode Materials

L. L. Wong, H. Chen, R. Prasada Rao, and S. Adams (National University of Singapore)

1210

Ab-Initio Calculations of Transition Metal Doping in Li2FePO4F Polymorphs

S. Patel (Department of Materials Science & Engineering, Northwestern University), S. Kim (Northwestern University), and C. Wolverton (Department of Materials Science and Engineering, Northwestern University)

1211

First-Principles Study on Charge Transport Mechanism of Lithium Sulfide (Li₂S) in Lithium-Sulfur Batteries

D. H. Kim, B. Lee, K. Y. Park (Seoul National University), and K. Kang (Center for Nanoparticles Research, IBS)

1212

Optimizing Energy Density of Li-Ion Batteries Using Thick Electrodes (Cancelled)

1213

Design of Composite Electrodes with Anion-Absorbing Active Materials

K. E. Thomas-Alyea and M. Aryanpour (Samsung Research America)

1214

A New Approach to Distinguish Two Different Degradation Mechanisms in Cycling Aging of Li-Ion Batteries

D. Li, D. Danilov (Eindhoven University of Technology), Y. Yang (Xiamen University), and P. Notten (Eindhoven University of Technology)

1215

Lithium Plating Simulations in Commercial Lithium-Ion Batteries during Low-Temperature Charging

M. Cabañero Martínez, A. Gebel, H. Lorrmann, G. Sextl (Fraunhofer Institute for Silicate Research ISC), S. Hein (Helmholtz Institute Ulm (HIU)), J. Kallo (Dept. of Energy Conversion & Storage, Ulm Univ), and A. Latz (Helmholtz-Institute Ulm (HIU))

1216

Theoretical Modeling of Protective Cathode Coatings and Cathode/Coating Interfaces in Li-Ion Batteries

S. Xu, R. Jacobs (University of Wisconsin - Madison), C. Wolverton (Northwestern University), and D. Morgan (University of Wisconsin - Madison)

1217

Modeling the Positive Electrode Side Reaction for a High Voltage Lithium-Ion Battery

N. R. Vadivel (Argonne National Laboratory), K. G. Gallagher (Joint Center for Energy Storage Research), and D. W. Dees (Argonne National Laboratory)

1218

Computational Analysis on the Effects of Different Electrode Designs on the Electrochemical Performance of Lithium Ion Batteries

W. A. Appiah, J. Park, S. Byun, M. H. Ryou, and Y. M. Lee (Hanbat National University)

1219

Structure and Properties of the Amorphous Lipon Electrolyte By First-Principles Simulations (Cancelled)

1220

First-Principle Calculations on Structure, Thermodynamics and Electrochemistry of Si-O-C Electrodes (Cancelled)

1221

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles Molecular Dynamics (Cancelled)

1222

A Computational Study of Lithium-Ion Insertion and Diffusion in the NiTi₂O₂(PO₄)₂ Anode Material for Lithium-Ion Batteries

K. Lasri (Department of Physics, University of Central Florida), D. Brandell (Uppsala University), A. Kara (Department of Physics, University of Central Florida), and K. Amine (Argonne National Laboratory)

1223

Theoretical Investigation of the Oxygen Reduction Reaction in Non-Aqueous Electrolytes

W. C. McKee, S. Rawal, and Y. Xu (Louisiana State University)

1224

Numerical Investigation of Capacity Fade in Mcmb Electrodes

M. Rashid (Indian Institute of Technology Delhi), S. Ahamad (IIT Delhi), and A. Gupta (Indian Institute of Technology Delhi)

1225

Free Energy Landscape for Lithium Solvation in Protic Ionic Liquids from Frirst Prinicples Simulations

A. Kachmar, M. Carignano (Qatar Environment and Energy Research Institute), and T. Laino (IBM Research-Zurich)

1226

Insight into the Redox Chemistry of Layered LiNiO_2-YS_y Cathode Material: A First-Principles Study

H. Yan, D. Xia, B. Li, Y. Zuo (College of Engineering, Peking University), H. Wei (College of Engineering,Peking University), J. Kong, and X. Chu (College of Engineering, Peking University)

1227

The Impact of Tab Alignment and Temperature on Current Density Distribution in a Multi-Tab Lithium-Ion Cell

S. V. Erhard (TU München, EES), P. J. Osswald (TUM CREATE Ltd., Technical University of Munich (TUM)), P. Keil, J. Wilhelm, A. Rheinfeld, S. Kosch, B. Rieger (Technical University of Munich (TUM)), H. Kloust, T. Thoennessen (Custom Cells Itzehoe GmbH), and A. Jossen (TU München, EES)