Engineering Strain in MoS2/WSe2 Heterostructures | Thermoelectric & Electronic Insights #Sciencefather


Introduction

Two-dimensional transition metal dichalcogenides (2D TMDs) have emerged as a revolutionary class of materials due to their graphene-like layered structures and tunable band gaps. These properties make them highly attractive for energy conversion and storage applications, particularly in addressing pressing environmental challenges. Among the family of TMDs, molybdenum disulfide (MoS₂) and tungsten diselenide (WSe₂) have attracted significant attention because of their stable structures, fascinating optoelectronic behavior, and ability to form high-quality van der Waals (vdW) heterostructures. Their unique band alignment and mechanical flexibility open new possibilities for next-generation nanoelectronic and thermoelectric devices.

Strain engineering in heterostructures

Strain engineering has become a powerful method for tuning the intrinsic properties of 2D TMD heterostructures. The MoS₂/WSe₂ bilayer system is an excellent platform to investigate the effects of both biaxial and vertical strains. These strains induce significant modifications in the electronic structure, thereby enhancing the performance of the material for practical device applications. Biaxial strain, in particular, is highly effective in adjusting the bandgap and thermoelectric behavior, making it a versatile tool for engineering the physical properties of vdW heterostructures.

Modulation of electronic structure

The systematic modulation of electronic properties in MoS₂/WSe₂ heterostructures provides insights into bandgap engineering, which is critical for optimizing their application in electronic and thermoelectric devices. The introduction of biaxial strain leads to a strong reduction in bandgap, while compressive vertical strain also plays an effective role in tailoring the material’s response. Such modulation enhances carrier mobility and conductivity, paving the way for improved efficiency in energy-related applications.

Thermoelectric performance under strain

Thermoelectric efficiency in vdW heterostructures is closely tied to strain-induced modifications. For MoS₂/WSe₂ bilayers, biaxial strain enhances the thermoelectric performance significantly compared to the unstrained state. This is especially relevant for energy harvesting, where improved transport properties directly contribute to performance. Notably, biaxial strain emerges as a superior approach, enabling a higher degree of control and optimization of thermoelectric parameters.

Carrier concentration and doping effects

The response of MoS₂/WSe₂ heterostructures to strain is highly dependent on carrier concentration and doping types. At specific carrier concentrations, particularly with the application of −8% biaxial strain, remarkable enhancements are observed: p-type doping increases thermoelectric performance by 65.5%, while n-type doping achieves a 94.3% improvement compared to the unstrained case. These findings highlight the critical role of strain-doping interplay in designing high-performance energy devices.

Future perspectives in vdW heterostructures

The promising results of strain engineering in MoS₂/WSe₂ heterostructures indicate a strong future for vdW materials in energy technologies. The ability to precisely tune bandgaps and thermoelectric properties via biaxial and vertical strains establishes a foundation for next-generation nanoelectronics, flexible electronics, and thermoelectric devices. As research progresses, these insights can be extended to other 2D TMD combinations, offering broad opportunities for advancing sustainable energy solutions.

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