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Band engineering and charge separation in the Mo<sub>1−x</sub>W<sub>x</sub>S<sub>2</sub>/TiO<sub>2</sub>heterostructure by alloying: first principle prediction

Monireh FarajiDepartment of PhysicsMehdi SabzaliDepartment of PhysicsSamira YousefzadehDepartment of PhysicsNavid SarikhaniIranAzin ZiashahabiDepartment of PhysicsMohammad ZirakDepartment of PhysicsAlireza Z. MoshfeghDepartment of Physics
2015en
ABI

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The composition dependent electronic properties of the Mo<sub>1−x</sub>W<sub>x</sub>S<sub>2</sub>monolayer deposited over a TiO<sub>2</sub>(110) substrate were investigated based on<italic>ab initio</italic>density functional calculations by applying periodic boundary conditions.

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