First-principle study of hydrogenation on monolayer MoS2

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We analyze the electronic structure of interfaces between two-, four- and six-layer Gd(0001) and monolayer MoS2 by first-principles calculations. Strong chemical bonds shift the Fermi energy of MoS2 upwards into the conduction band. At the surface and interface the Gd f states shift to lower energy and new surface/interface Gd d states appear at the Fermi energy, which are strongly hybridized w...

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ژورنال

عنوان ژورنال: AIP Advances

سال: 2016

ISSN: 2158-3226

DOI: 10.1063/1.4955430