Journal of Nanomaterials & Molecular NanotechnologyISSN: 2324-8777

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Haijun Shen Author

shj@nuaa.edu.cn

Subjects of specialization
Aeronautics,Applied Mechanics,Physics

Affiliation
School of Aeronautics and Applied Mechanics, Tongji University, Shanghai, 200092, China

Biography

Haijun Shen is from the School of Aeronautics and Applied Mechanics, Tongji University, Shanghai, China. Haijun Shen has deep interest in the field of aeronautics and physics and applied mechanics.

Publications

Research Article Subscription

Geometrical Deformation and Electronic Structures of One Hexagonal Graphene under External Electric Field

Author(s): Haijun Shen

Geometrical Deformation and Electronic Structures of One Hexagonal Graphene under External Electric Field

By using QMD (Quantum-molecular Dynamics) method, as well as DFT (Density Function Theory) at B3LYP/6-31G* level, geometrical deformation, failure and electronic structures of one hexagonal graphene under external electric field were investigated. Effects of electric field direction on the electrically-induced deformation, polarization-charge distribution, dipole moment and FMOs (Frontier Molecular Orbitals) of the graphene were discussed. It is found that electrically-induced deformation and failure are easier to occur to graphene under armchair-direction field than u... view more»

DOI: 10.4172/2324-8777.1000104

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