Tunable electronic structures, Rashba splitting, and optical and photocatalytic responses of MSSe-PtO 2 (M = Mo, W) van der Waals heterostructures.

Autor: Gul SH; Department of Physics, Abbottabad University of Science & Technology Abbottabad 22010 Pakistan binukhn@gmail.com +92-333-943-665 +92-333-943-665., Alrebdi TA; Department of Physics, College of Science, Princess Nourah Bint Abdulrahman University PO Box 84428 Riyadh 11671 Saudi Arabia., Idrees M; School of Physics and Electronic Engineering, Jiangsu University Zhenjiang 212013 Jiangsu China., Amin B; Department of Physics, Abbottabad University of Science & Technology Abbottabad 22010 Pakistan binukhn@gmail.com +92-333-943-665 +92-333-943-665.
Jazyk: angličtina
Zdroj: Nanoscale advances [Nanoscale Adv] 2023 Aug 24; Vol. 5 (21), pp. 5829-5837. Date of Electronic Publication: 2023 Aug 24 (Print Publication: 2023).
DOI: 10.1039/d3na00347g
Abstrakt: Binding energies, AIMD simulation and phonon spectra confirm both the thermal and dynamical stabilities of model-I and model-II of MSSe-PtO 2 (M = Mo, W) vdWHs. An indirect type-II band alignment in both the models of MSSe-PtO 2 vdWHs and a larger Rashba spin splitting in model-II than in model-I provide a platform for experimental design of MSSe-PtO 2 vdWHs for optoelectronics and spintronic device applications. Transfer of electrons from the MSSe layer to the PtO 2 layer at the interface of MSSe-PtO 2 vdWHs makes MSSe (PtO 2 ) p(n)-type. Large absorption in the visible region of MoSSe-PtO 2 vdWHs, while blue shifts in WSSe-PtO 2 vdWHs are observed. In the case of model-II of MSSe-PtO 2 vdWHs, a further blue shift is observed. Furthermore, the photocatalytic response shows that MSSe-PtO 2 vdWHs cross the standard water redox potentials confirming their capability to split water into H + /H 2 and O 2 /H 2 O.
Competing Interests: There are no conflicts to declare.
(This journal is © The Royal Society of Chemistry.)
Databáze: MEDLINE
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