Charge Transfer and Asymmetric Coupling of MoSe2 Valleys to the Magnetic Order of CrSBr.

van der Waals heterostructures composed of two-dimensional (2D) transition metal dichalcogenides and vdW magnetic materials offer an intriguing platform to functionalize valley and excitonic properties in nonmagnetic TMDs. Here, we report magneto photoluminescence (PL) investigations of monolayer (ML) MoSe2 on the layered A-type antiferromagnetic (AFM) semiconductor CrSBr under different magnetic field orientations. Our results reveal a clear influence of the CrSBr magnetic order on the optical properties of MoSe2, such as an anomalous linear-polarization dependence, changes of the exciton/trion energies, a magnetic-field dependence of the PL intensities, and a valley g-factor with signatures of an asymmetric magnetic proximity interaction. Furthermore, first-principles calculations suggest that MoSe2/CrSBr forms a broken-gap (type-III) band alignment, facilitating charge transfer processes. The work establishes that antiferromagnetic-nonmagnetic interfaces can be used to control the valley and excitonic properties of TMDs, relevant for the development of opto-spintronics devices.

Enhancing Visible Light Photocatalytic Degradation of Bisphenol A Using BiOI/Bi2MoO6 Heterostructures.

With the growing population, access to clean water is one of the 21st-century world's challenges. For this reason, different strategies to reduce pollutants in water using renewable energy sources should be exploited. Photocatalysts with extended visible light harvesting are an interesting route to degrade harmful molecules utilized in plastics, as is the case of Bisphenol A (BPA). This work uses a microwave-assisted route for the synthesis of two photocatalysts (BiOI and Bi2MoO6). Then, BiOI/Bi2MoO6 heterostructures of varied ratios were produced using the same synthetic routes. The BiOI/Bi2MoO6 with a flower-like shape exhibited high photocatalytic activity for BPA degradation compared to the individual BiOI and Bi2MoO6. The high photocatalytic activity was attributed to the matching electronic band structures and the interfacial contact between BiOI and Bi2MoO6, which could enhance the separation of photo-generated charges. Electrochemical, optical, structural, and chemical characterization demonstrated that it forms a BiOI/Bi2MoO6 p-n heterojunction. The free radical scavenging studies showed that superoxide radicals (O2•-) and holes (h+) were the main reactive species, while hydroxyl radical (•OH) generation was negligible during the photocatalytic degradation of BPA. The results can potentiate the application of the microwave synthesis of photocatalytic materials.

Distinctive g-Factor of Moiré-Confined Excitons in van der Waals Heterostructures.

We investigated the valley Zeeman splitting of excitonic peaks in the microphotoluminescence (µPL) spectra of high-quality hBN/WS2/MoSe2/hBN heterostructures under perpendicular magnetic fields up to 20 T. We identify two neutral exciton peaks in the µPL spectra; the lower-energy peak exhibits a reduced g-factor relative to that of the higher energy peak and much lower than the recently reported values for interlayer excitons in other van der Waals (vdW) heterostructures. We provide evidence that such a discernible g-factor stems from the spatial confinement of the exciton in the potential landscape created by the moiré pattern due to lattice mismatch or interlayer twist in heterobilayers. This renders magneto-µPL an important tool to reach a deeper understanding of the effect of moiré patterns on excitonic confinement in vdW heterostructures.

Thermoelectric transport properties of armchair graphene nanoribbon heterostructures.

In this paper, we numerically analyze the thermoelectric (TE) properties of recently synthesized graphene nanoribbon (GNR) heterostructures that are obtained as extensions of pristine armchair graphene nanoribbons (AGNRs). After simulating their band structure through a nearest-neighbor tight-binding model, we use the Landauer formalism to calculate the necessary TE coefficients, with which we obtain the electrical conductanceG, thermopowerS, thermal conductanceKe, linear-response thermocurrentIth/ΔT=GS, and figure of meritZT(using literature results for the phonon thermal conductanceKph), at room temperature. We then compare the results for the nanoribbon heterostructures with those for the pristine AGNR nanoribbons. The comparison shows that the metallic AGNRs become semiconducting (with much higherZTvalues) after the inclusion of the extensions that transform them into heterostructures and that some heterostructures have higher values ofZTwhen compared to the semiconducting pristine AGNRs from which they have originated.

Magnon-polaritons in graphene/gyromagnetic slab heterostructures.

We present a theoretical study for the surface magnon-polaritons in structures formed by graphene layer(s) on an insulating gyromagnetic medium (that can be either ferromagnetic or antiferromagnetic) surrounded by vacuum. We consider different doping levels to vary the Fermi energies in the graphene, including both semi-infinite and slab magnetic samples. Our results reveal a strong influence, exerted by the presence of graphene, on the surface magnon-polariton modes. The effects include control of the group velocities for the modes as the Fermi energies of the graphene sheet are varied, modified nonreciprocal and reciprocal mode propagation properties depending on the type of magnetic material, and distinct localization properties for the emerging surface modes.

Defective graphene domains in boron nitride sheets.

Novel two-dimensional materials have emerged as hybrid structures that combine graphene and hexagonal boron nitride (h-BN) domains. During their growth process, structural defects such as vacancies and change of atoms connectivity are unavoidable. In the present study, we use first-principle calculations to investigate the electronic structure of graphene domains endowed with a single carbon atom vacancy or Stone-Wales defects in h-BN sheets. The results show that both kinds of defects yield localized states within the bandgap. Alongside this change in the bandgap configuration, it occurs a splitting of the spin channels in such a way that electrons with up and down spins populate different energy levels above and below the Fermi level, respectively. Such a spin arrangement is associated to lattice magnetization. Stone-Wales defects solely point to the appearance of new intragap levels. These results demonstrated that vacancies could significantly affect the electronic properties of hybrid graphene/h-BN sheets. Graphical Abstract A Boron-Nitride sheet doped with a vacancy endowed Carbon domain.