Effects of Vacancy and Ti Doping in 2D Janus MoSSe on Photocatalysis

  title={Effects of Vacancy and Ti Doping in 2D Janus MoSSe on Photocatalysis},
  author={Yi-Ming Zhao and Pengju Ren and Xing-Yu Ma and James P. Lewis and Qing-Bo Yan and Gang Su},
Two-dimensional (2D) Janus transitional metal dichalcogenides (TMDCs) have great potential for photocatalytic water splitting due to their novel properties induced by the unique out-of-plane asymmetric structures. Here, we systematically investigate the geometric, electronic and optical properties of 2D Janus MoSSe with titanium doping and vacancies to explore their synergistic effects on photocatalytic activity. We find that there are effective attractions between the substituted or adsorbed… Expand

Figures and Tables from this paper


Janus Structures of Transition Metal Dichalcogenides as the Heterojunction Photocatalysts for Water Splitting
The Janus structures of transition metal dichalcogenides with an intrinsic dipole have been proposed as efficient photocatalysts for water splitting, and successfully synthesized recently. However,Expand
Photocatalytic activity of co-doped Janus monolayer MoSSe for solar water splitting: A computational investigation
Abstract Janus transition-metal dichalcogenide is considered as a promising photocatalyst for solar water splitting because of its inherent internal electric field, tunable electronic and opticalExpand
Triggering Catalytic Active Sites for Hydrogen Evolution Reaction by Intrinsic Defects in Janus Monolayer MoSSe
Janus transition-metal dichalcogenides have been predicted to be promising candidates for hydrogen evolution reaction (HER) due to their inherent structural asymmetry. However, the effect ofExpand
A Novel Single-Atom Electrocatalyst Ti1 /rGO for Efficient Cathodic Reduction in Hybrid Photovoltaics.
A Ti-based SAC, consisting of isolated Ti anchored by oxygen atoms on reduced graphene oxide (rGO) (termed as Ti1 /rGO), is successfully synthesized and shows potential applications in energy conversion and storage devices. Expand
Intrinsic defect engineered Janus MoSSe sheet as a promising photocatalyst for water splitting
The Janus MoSSe sheet has aroused significant attention due to its band edge position and intrinsic dipole moment, making it a strong candidate for water splitting photocatalysis. However, weak waterExpand
The Janus structures of group-III chalcogenide monolayers as promising photocatalysts for water splitting
Abstract Production of hydrogen from photocatalytic water splitting provides an alternative strategy to deal with the energy crisis and environmental pollution problems. Despite great efforts haveExpand
Solar Energy Harvesting in Type II van der Waals Heterostructures of Semiconducting Group III Monochalcogenide Monolayers
Type II van der Waals (vdW) heterobilayers of six group III chalcogenide monolayers (MX; M = Ga, In; X = S, Se, Te) have been systematically investigated and compared with the pristine monolayers viaExpand
Janus Monolayer Transition-Metal Dichalcogenides.
High basal plane hydrogen evolution reaction activity is discovered for the Janus monolayer, and DFT calculation implies that the activity originates from the synergistic effect of the intrinsic defects and structural strain inherent in theJanus structure. Expand
A Janus MoSSe monolayer: a potential wide solar-spectrum water-splitting photocatalyst with a low carrier recombination rate
For realizing efficient solar to hydrogen energy conversion based on photocatalytic technology, it is important to explore a photocatalyst with wide-range solar absorption and high electron–holeExpand
A Critical Review on Enhancement of Photocatalytic Hydrogen Production by Molybdenum Disulfide: From Growth to Interfacial Activities.
Ultrathin 2D molybdenum disulfide (MoS2 ), which is the flagship of 2D transition-metal dichalcogenide nanomaterials, has drawn much attention in the last few years. 2D MoS2 has been banked as anExpand