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Particularly, inside the twisted NW, the VB states migrate from the NW core in the direction of the NW shell whereas the CB states migrate from the NW shell in course of the NWcore. Our outcomes pave a model new methodology to grasp the kind-II band alignment in single crystalline NWs, which is vital for exact capabilities just like NW-based photovoltaic influence and photocatalytic impact. Additional, the numerous variation of the quantum states moreover illustrates the probability to tune the digital properties of TiO2 NWs by pressure engineering. Native and angular momentum projected densities of states are invaluable sources of information which may be obtained from density sensible idea calculations.
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