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
Abstract
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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