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Atomistic Understanding of Nanostructures for Anion-Storage Batteries

Primary Investigators:
De-en Jiang
Brief Description of Project:
The project will focus on computational modeling of novel nanostructures (e.g., nanochannels) inside oxide-based electrode materials that allow reversible anion storage at high capacity. Students working in the Jiang group would learn how to build atomistic models for electrode materials, how to carry out first principles calculations, and how to simulate atomistic processes of ion storage inside battery electrodes. Students will gain an appreciation for first principles calculations, materials modeling, battery chemistry, and electric energy storage.

Desired Qualifications:
This project is best suited for a student interested in computational nanoscience, materials chemistry, and battery research. Knowledge of Linux operating system, solid-state chemistry, and quantum mechanics is a plus.
Nature of Supervision:
A graduate student or a postdoc will be assigned to help and mentor the undergraduate student researcher, under the supervision of the PI. Three-person meetings among the PI, the senior group member assigned, and the undergraduate student researcher will be held in the beginning, the middle, and the end of the summer program.
A Brief Research Plan (period is for 10 weeks):
Wk 1-2, Linux operating systems and software tutorials
Wk 3-4, structure building
Wk 5-8, running simulations and analysis of results
Wk 9-10, summary and preparation of report/poster
Number of Open Slots: 1
Contact Information:
Name: De-en Jiang
Department: Chemical and Biomolecular Engineering