Ab initio studies of isolated hydrogen vacancies in graphane

R.E. Mapasha; Mahlaga Molepo; N. Chetty

doi:10.1016/j.physe.2015.12.014

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Ab initio studies of isolated hydrogen vacancies in graphane

R.E. Mapasha Mahlaga Molepo N. Chetty

Year: 2015 Journal: Physica E Low-dimensional Systems and Nanostructures Vol: 79 Pages: 52-58 Publisher: Elsevier BV

DOI: 10.1016/j.physe.2015.12.014

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Keywords:

Graphane Vacancy defect Condensed matter physics Materials science Graphene Band gap Density functional theory Fermi level Ab initio Spin (aerodynamics) Magnetic moment Hydrogen Charge (physics) Magnetism Doping Chemistry Nanotechnology Computational chemistry Physics Electron

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Graphene research and applications

Physical Sciences → Materials Science → Materials Chemistry

Advancements in Battery Materials

Physical Sciences → Engineering → Electrical and Electronic Engineering

Quantum and electron transport phenomena

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Ab initio studies of isolated hydrogen vacancies in graphane

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