Unraveling the role of varying composition on electronic and optical properties of bilayer MoxW(1−x)S2 for photovoltaic applications

Archishman Saha; Nivedita Pandey; Amitabha Nath; Subhananda Chakrabarti

doi:10.1117/12.3002215

11 March 2024 Unraveling the role of varying composition on electronic and optical properties of bilayer Mo_xW_(1−x)S₂ for photovoltaic applications

Archishman Saha, Nivedita Pandey, Amitabha Nath, Subhananda Chakrabarti

Author Affiliations +

Proceedings Volume 12880, Physics and Simulation of Optoelectronic Devices XXXII; 128800U (2024) https://doi.org/10.1117/12.3002215
Event: SPIE OPTO, 2024, San Francisco, California, United States

Conference Poster

Abstract

Transition metal dichalcogenides are being used extensively due to their 2-D nature, in spintronic and optoelectronic technologies. TMDs, specifically molybdenum disulfide (MoS₂) and tungsten disulfide (WS₂), have recently attracted considerable interest and extensive research has been dedicated to these materials, unveiling their immense potential for various applications such as catalysts, lubricants, lithium batteries, phototransistors, and nanoelectronics. Mo_xW_1−xS₂ alloys have been synthesized via experimental techniques to harness the properties of both materials. Bilayer TMDs exhibit properties such as tunable bandgap, higher exciton binding energy and interlayer interaction giving rise to new optical modes and excitonic resonances. In this work we study the utility of bilayer Mo_xW_1−xS₂ alloys through first principle computational techniques. We observe an indirect bandgap of around 1.49-1.55eV as we vary the composition of the alloy from 72% Mo to 22% Mo. This capability is significant as it allows researchers to precisely engineer the electronic and optical properties of the material to suit various device requirements. The out-of-plane absorption coefficient of the alloys shows a peak shift from 1.95eV to 2.55eV on increasing percentage of W in the alloy. This shift in the absorption spectrum indicates that the material can effectively absorb light of different wavelengths, thus enabling the design of TMD-based photodetectors with the capability to detect a broad range of wavelengths. This versatility in light absorption is of great importance for applications such as sensors, photovoltaics, optoelectronic devices, where the detection of specific wavelengths is crucial.

(2024) Published by SPIE. Downloading of the abstract is permitted for personal use only.

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Archishman Saha, Nivedita Pandey, Amitabha Nath, and Subhananda Chakrabarti "Unraveling the role of varying composition on electronic and optical properties of bilayer Mo_xW_(1−x)S₂ for photovoltaic applications", Proc. SPIE 12880, Physics and Simulation of Optoelectronic Devices XXXII, 128800U (11 March 2024); https://doi.org/10.1117/12.3002215

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