Investigation of structural, electronic and optical properties of potassium and lithium based ternary Selenoindate: Using first principles approach

Khan, Muhammad Salman; Alshahrani, Thamraa; Haq, Bakhtiar Ul; Azam, Sikander; Khan, Gulzar; Alrobei, Hussein; Abbas, Zeesham; Předota, Milan; Khan, Muhammad Adil; Benaadad, Merieme

doi:10.1016/j.jssc.2020.121778

Cited by 44 publications

(21 citation statements)

References 43 publications

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“…[12][13][14][15] These chalcogenide semiconductors have attracted the interest of many materials research groups because of their potential usage in a variety of applications, which include photocatalysis, photovoltaics, photoresponse, nonlinear optics, and topological insulators. [16][17][18][19][20][21] The most special features of these ternary chalcogenides include their remarkable structures, bandgap range, and unique stoichiometry-controlled electro-optical properties. 22 These ternary-type chalcogenide materials have also recently expanded in popularity as solar and thermoelectric materials.…”

Section: Introductionmentioning

confidence: 99%

“…The lithium-based chalcogenide materials could also be successfully employed in terahertz devices. 17 The crystal structure and atomic positions which determine the chemical composition of materials also regulate the necessary physical and chemical properties. So, tuning the structural parameters could result in a substantial change in electrical behavior.…”

Section: Introductionmentioning

confidence: 99%

“…The lithium-based chalcogenide materials could also be successfully employed in terahertz devices. 17…”

Section: Introductionmentioning

confidence: 99%

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Insight into the optoelectronic and thermoelectric nature of NaLiX (X = S, Se, Te) novel direct bandgap semiconductors: a first-principles study

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Insight into the optoelectronic and thermoelectric nature of NaLiX (X = S, Se, Te) novel direct bandgap semiconductors: a first-principles study

et al. 2022

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“…Absorption coefficient I (ω) can be used to determine the penetration power of incident photons when their energy is larger than the energy band gap. The Tauc–Pankove relation shown in eq can be used to calculate I (ω) where E , B, and p are used for photon energy, transition probability, and DOS distribution, respectively.…”

Section: Resultsmentioning

confidence: 99%

“…The Tauc−Pankove relation shown in eq 14 can be used to calculate I(ω). 54 = E B E E ( ) g p (14) where E, B, and p are used for photon energy, transition probability, and DOS distribution, respectively. B is usually assumed to be constant over the entire optical frequency range.…”

Section: ■ Experimental Detailsmentioning

confidence: 99%

Fabrication of High-Performance Solar Cells and X-ray Detectors Using MoX₂@CNT Nanocomposite-Tuned Perovskite Layers

Liu

Hussain

Abbas

et al. 2022

ACS Appl. Mater. Interfaces

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The interface design of inorganic and organic halide perovskite-based devices plays an important role to attain high performance. The modification of transport layers (ETL and HTL) or the perovskite layer is given the crucial inspiration to realize superior power conversion efficiencies (PCEs). The highly conducting 2D materials of CNT, graphene/GO, and transition-metal dichalcogenides (TMDs) are suitable substitutes to tune the electronic structure/work function of perovskite devices. Herein, the nanocomposites composed of molybdenum dichalcogenides (MoX 2 = MoS 2 , MoSe 2 , and MoTe 2 ) stretched CNT was embedded with HTL or perovskite layer to improve the resulted characteristics of perovskite devices of solar cells and X-ray detectors. A superior solar cell efficiency of 12.57% was realized for the MoTe 2 @CNT nanocomposites using a modified active layer-composed device. Additionally, X-ray detectors with MoTe 2 @CNT-modulated active layers achieved 13.32 μA/cm 2 , 3.99 mA/Gy•cm 2 , 4.81 × 10 −4 cm 2 /V•s, and 2.13 × 10 15 cm 2 /V•s of CCD-DCD, sensitivity, mobility, and trap density, respectively. Density functional theory approximation was used to realize the improved electronics properties, optical properties, and energy band structures in the MoX 2 @ CNT-doped perovskites evidently. Thus, the current research paves the way for the improvement of highly efficient semiconductor devices based on perovskite-based structures with the use of 2D nanocomposites.

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Impact of Molybdenum Dichalcogenides on the Active and Hole‐Transport Layers for Perovskite Solar Cells, X‐Ray Detectors, and Photodetectors

Vikraman

Liu

Hussain

et al. 2022

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The interface architectures of inorganic–organic halide perovskite‐based devices play key roles in achieving high performances with these devices. Indeed, the perovskite layer is essential for synergistic interactions with the other practical modules of these devices, such as the hole‐/electron‐transfer layers. In this work, a heterostructure geometry comprising transition‐metal dichalcogenides (TMDs) of molybdenum dichalcogenides (MoX2 = MoS2, MoSe2, and MoTe2) and perovskite‐ or hole‐transfer layers is prepared to achieve improved device characteristics of perovskite solar cells (PSCs), X‐ray detectors, and photodetectors. A superior efficiency of 11.36% is realized for the active layer with MoTe2 in the PSC device. Moreover, X‐ray detectors using modulated MoTe2 nanostructures in the active layers achieve 296 nA cm−2, 3.12 mA (Gy cm2)−1 and 3.32 × 10–4 cm2 V−1 s−1 of collected current density, sensitivity, and mobility, respectively. The fabricated photodetector produces a high photoresponsivity of 956 mA W−1 for a visible light source, with an excellent external quantum efficiency of 160% for the perovskite layer containing MoSe2 nanostructures. Density functional theory calculations are made for pure and MoX2 doped perovskites’ geometrical, density of states and optical properties variations evidently. Thus, the present study paves the way for using perovskite‐based devices modified by TMDs to develop highly efficient semiconductor devices.

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Investigation of structural, electronic and optical properties of potassium and lithium based ternary Selenoindate: Using first principles approach

Cited by 44 publications

References 43 publications

Insight into the optoelectronic and thermoelectric nature of NaLiX (X = S, Se, Te) novel direct bandgap semiconductors: a first-principles study

Insight into the optoelectronic and thermoelectric nature of NaLiX (X = S, Se, Te) novel direct bandgap semiconductors: a first-principles study

Fabrication of High-Performance Solar Cells and X-ray Detectors Using MoX₂@CNT Nanocomposite-Tuned Perovskite Layers

Impact of Molybdenum Dichalcogenides on the Active and Hole‐Transport Layers for Perovskite Solar Cells, X‐Ray Detectors, and Photodetectors

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Investigation of structural, electronic and optical properties of potassium and lithium based ternary Selenoindate: Using first principles approach

Cited by 44 publications

References 43 publications

Insight into the optoelectronic and thermoelectric nature of NaLiX (X = S, Se, Te) novel direct bandgap semiconductors: a first-principles study

Insight into the optoelectronic and thermoelectric nature of NaLiX (X = S, Se, Te) novel direct bandgap semiconductors: a first-principles study

Fabrication of High-Performance Solar Cells and X-ray Detectors Using MoX2@CNT Nanocomposite-Tuned Perovskite Layers

Impact of Molybdenum Dichalcogenides on the Active and Hole‐Transport Layers for Perovskite Solar Cells, X‐Ray Detectors, and Photodetectors

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Fabrication of High-Performance Solar Cells and X-ray Detectors Using MoX₂@CNT Nanocomposite-Tuned Perovskite Layers