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Updated: Jul 12, 2025

Fabricating van der Waals Heterostructures with Precise Rotational Alignment
Published on: July 5, 2019
Tunable electronic structures, Rashba splitting, and optical and photocatalytic responses of MSSe-PtO2 (M = Mo, W)
Sadia H Gul1, Tahani A Alrebdi2, M Idrees3
1Department of Physics, Abbottabad University of Science & Technology Abbottabad 22010 Pakistan binukhn@gmail.com +92-333-943-665 +92-333-943-665.
Abstract:
Binding energies, AIMD simulation and phonon spectra confirm both the thermal and dynamical stabilities of model-I and model-II of MSSe-PtO2 (M = Mo, W) vdWHs. An indirect type-II band alignment in both the models of MSSe-PtO2 vdWHs and a larger Rashba spin splitting in model-II than in model-I provide a platform for experimental design of MSSe-PtO2 vdWHs for optoelectronics and spintronic device applications. Transfer of electrons from the MSSe layer to the PtO2 layer at the interface of MSSe-PtO2 vdWHs makes MSSe (PtO2) p(n)-type. Large absorption in the visible region of MoSSe-PtO2 vdWHs, while blue shifts in WSSe-PtO2 vdWHs are observed. In the case of model-II of MSSe-PtO2 vdWHs, a further blue shift is observed. Furthermore, the photocatalytic response shows that MSSe-PtO2 vdWHs cross the standard water redox potentials confirming their capability to split water into H+/H2 and O2/H2O.
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