Faculty Publications
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Item ZnSxSe1−x thin films: A study into its tunable energy band gap property using an experimental and theoretical approach(Elsevier Ltd, 2022) Ray, S.; Barman, B.; Darshan, C.; Tarafder, K.; Bangera, K.V.In recent times, ZnS and ZnSe thin films are drawing tremendous attention towards opto-electrical devices due to their optimal wide band gap energy. By alloying ZnS and ZnSe films to obtain ZnSxSe1−x thin films, the band gap of the ZnSxSe1−x film can be tuned to a value according to the device requirements. Herein, ZnSxSe1−x thin films were deposited on pre-cleaned glass substrates using a thermal evaporation system and the various properties of the obtained thin films were analyzed by altering the percentage of sulfur concentration in the films. The XRD analysis illustrated that the prepared films are polycrystalline in nature and oriented along cubic (1 1 1) plane. The deviation of (1 1 1) preferential peak position with composition ‘x’ along the absence of any secondary peaks confirms the formation of ternary ZnSxSe1−x thin films. DFT analysis verifies the formation of pristine ZnSxSe1−x alloy system. FESEM micrographs displayed that the ZnSxSe1−x thin films do not have any cracks or pinholes. EDAX analysis of the films revealed the existence of Zn, Se and S in an appropriate quantity. Optical analysis revealed the effective band gap tailoring of ZnSxSe1−x thin films. The band gap of the ZnSxSe1−x thin films increases from 2.59 eV to 3.38 eV as the composition ‘x’ varied from 0 to 1 and band composition was determined using the DOS plot obtained using VASP. © 2022 International Solar Energy SocietyItem Investigation of CdSe and ZnSe as Potential Back Surface Field Layers for CdTe-Based Solar Cells: A Study from First Principles Calculations(John Wiley and Sons Inc, 2023) Ray, S.; Tarafder, K.A class of II–VI semiconductors, especially CdTe, is a highly photo-reactive compound that would be suitable for photovoltaic applications. However, being a highly resistive material, CdTe produces considerable contact resistance and drastically reduces the efficiency of photovoltaic devices. Introducing a back surface field layer at the contact region may significantly improve the device's performance. This work investigates the suitability of using ZnSe and CdSe layer as a back-surface-field layer in CdTe-based solar cells through accurate electronic structure calculations using the hybrid-density functional theory method. The calculations show that both ZnSe/CdTe and CdSe/CdTe behave as type-II heterojunctions with band gaps of 2.0 and 1.1 eV, respectively. The Mulliken electronegativity method is used to determine the correct band edge positions concerning the vacuum level for all the pristine semiconductors and their interfaces. Calculation shows that a significant charge redistribution in the interface leads to the formation of an effective local field near the contact region for both ZnSe/CdTe and CdSe/CdTe heterostructures. This local field may help to separate the photogenerated electron–hole pairs in the active layer by pushing the opposite charges into the two different sections of the heterojunction. Additionally, the heterojunctions also exhibit better light-absorption characteristics in the visible light range. © 2023 The Authors. Advanced Theory and Simulations published by Wiley-VCH GmbH.Item Validation of ZnTe as back surface field layer for CdTe solar cells: A combined experimental and theoretical study(Elsevier Ltd, 2023) Ray, S.; Tarafder, K.An excellent back contact layer is one of the key requirements for thin-film solar cells with a high energy conversion efficiency. For a highly resistive compound such as CdTe thin-film, fabrication of contact with low electrical contact resistance along with a high electron affinity is very difficult. Herein, we have thoroughly investigated the possibility of using ZnTe as a back contact layer for CdTe-based solar cells through combined experimental and first-principle studies. CdTe and ZnTe thin films were deposited on the glass substrate. Detailed structural, morphological, elemental, electrical, and optical properties are investigated through different experimental techniques. Then p-ZnTe/n-CdTe heterojunction was fabricated, and junction properties were studied. Precise electronic band-structures were obtained for CdTe, ZnTe, and CeTe/ZnTe heterojunctions. The interface properties, band edge position, and band alignments were estimated by using the HSE06 hybrid functional method. Detailed theoretical results substantiate our experimental findings. © 2023 Elsevier B.V.