Project #UR046
Project Number: UR046
Project Title: Chemical Boning in Transition Metal Dicarbides
Faculty Sponsor: Jie Song
Department: Chemistry and Biochemistry
Telephone:
E-Mail: jiesong@umflint.edu
Proposed Starting Date: 09/15/2009
Proposed Ending Date: 12/15/2009
Student in mind: No
Number of hours to work per week: 7-10 hours
Project Description: Nanomaterials, especially those nanotubes including transition metals, are widely used in many fields of industries. Complete understanding of the nano structures is the key to improve their physical-chemical properties and applications. Theoretical chemistry is a powerful tool but greatly limited by the molecular size. In this study, computational chemistry approaches will be applied to two transition metal dicarbide (CuC2 and CrC2), as simple models of transition metal carbon nanotube. Copper and chromium have completely different electronic structures and are expected to supply more chemical insights in chemical bonding available and, further, help us to understand the nano structures.
Student Tasks & Responsibilities:
- Learn how to perform computations using the software available;
- Work independently after the appropriate training;
- Analyze the data with the help from the faculty
- 4. Summarize the results
- Prepare the poster presentations at the professional (like American Chemical Society National Meetings) and undergraduate meetings (like MoM and MURF);
- Prepare all materials for manuscript writing.
Minimum Student Qualifications: Student must have finished one year of general chemistry and one year of physical chemistry.