Abstract

The development of heterojunction technology with exceptional capabilities has emerged as an auspicious approach for both environmental remediation and improved performance in electronic devices. Present study reports two different heterostructures composed of graphitic carbon nitride (g-C3N4), molybdenum disulfide (MoS2), and graphene oxide (GO) i.e., GO/g-C3N4/MoS2 (H1) and GO/MoS2/g-C3N4 (H2). The heterostructure anticipated by quantum modeling was synthesized by facile ultra-sonication method and characterized via Powder XRD, FT-IR, and FE-SEM spectroscopic techniques. The finding indicates that the optimized GO/g-C3N4/MoS2 heterostructures exhibit a energy gap of 1.12 eV whereas, GO/MoS2/g-C3N4 heterostructure is conducting material. The periodic energy decomposition analysis reveals that heterostructure H1 is energetically more favorable than that of H2. The absorption coefficient, reflectance, and refractive index showed red shifts in both the heterostructures, while a blueshift was observed in the energy loss spectrum. The outcome of both theoretical and experimental observations highlights that the resultant heterostructure closely resemble with the theoretically predicted H1. The novel heterostructure anticipated here stands the test of meticulous theoretical and experimental examinations to establish its proficiency for various optical applications.

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