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Lithium intercalated graphene based nano-structures for battery applications

Pant, Dharmendra Prasad

Abstract Details

2016, Master of Science, University of Akron, Physics.
Graphite is one of the common materials that is used in a Lithium-ion battery. The low Lithium (Li) capacity of graphite has restricted the efficiency of the battery. In this thesis, we have designed Li-intercalated graphene based nanostructures such as graphene nanocomposites as alternatives to the graphite in Li-ion battery. Abinitio electronic structure calculation methods were used to determine total energy of the structures and their optimized geometries. We calculated adsorption energy per lithium atom and adsorption energy per carbon atom. Our structures have higher values of adsorption energies than that of Li-intercalated graphite. Density of states calculations show that our structures have a high density of states at the Fermi level, which implies our structures are metallic. HOMO-LUMO study shows almost a complete charge transfer from the lithium atoms to carbon atoms.
Alper Buldum, Dr. (Advisor)
56 p.

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Citations

  • Pant, D. P. (2016). Lithium intercalated graphene based nano-structures for battery applications [Master's thesis, University of Akron]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=akron1480293281255848

    APA Style (7th edition)

  • Pant, Dharmendra. Lithium intercalated graphene based nano-structures for battery applications . 2016. University of Akron, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=akron1480293281255848.

    MLA Style (8th edition)

  • Pant, Dharmendra. "Lithium intercalated graphene based nano-structures for battery applications ." Master's thesis, University of Akron, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=akron1480293281255848

    Chicago Manual of Style (17th edition)