21351a Vorlesung

SoSe 14: Atomistic Modeling of Li-based Batteries

Payam Kaghazchi

Hinweise für Studierende

Master-Course (6-th Semester), PhD-Course

Kommentar

CONTENT: 1. Introduction Basics of Li-based batteries: Li-ion Batteries, Li-S batteries, Li-air Batteries, all-solidstate Li-based batteries 2. Theoretical Methods Force Fields Many-Body Problem, TF and DFT QM/MM Orbital free DFT The Supercell Approach, Bloch Theorem, Sampling of The Brillouin Zone Pseudopotential Method Transition State Optimization Ab initio Thermodynamics 3. Modeling and Simulation Tools Modeling Softwares MM Simulation Softwares DFT Simulation Softwares 4. Case Studies Electrodes: Stabilities of Nanostructured Anodes for Li-ion Batteries, Mechanism of Li Incorporation in Nanostructured Anodes for Li-ion Batteries, Structure of Cathode Materials in Li-S and Li-air Batteries Electrolyte: Diffusion of Li in Solid State Electrolytes Electrode/Electrolyte Interfaces: Process of Electrolyte Decomposition on Anodes, Structure of Solid Electrolyte Interphase on Graphene Schließen

13 Termine

Zusätzliche Termine

Mi, 16.04.2014 12:00 - 14:00
First Meeting

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Regelmäßige Termine der Lehrveranstaltung

Mi, 23.04.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 30.04.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 07.05.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 14.05.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 21.05.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 28.05.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 04.06.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 11.06.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 18.06.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 25.06.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 02.07.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 09.07.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

Mi, 16.07.2014 10:00 - 12:00

Dozenten:
Dr. Payam Kaghazchi

Räume:
SR 25.01 (Takustr. 3)

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