Transition metal dichalcogenides solar cells and integration with perovskites

Aftab, Sikandar; Iqbal, Muhammad Zahir; Hussain, Sajjad; Hegazy, H.H.; Saeed, Muhammad

doi:10.1016/j.nanoen.2023.108249

Cited by 40 publications

(25 citation statements)

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“…This work focuses on computational modeling of the interlayer (de)coupling of optoelectronic properties of 2D materials [11][12][13][14][15][16][17][18] from the HTS point of view. As a first step toward this goal, we consider (de)coupling of the band gap as one of the most important materials optoelectronic properties.…”

Section: Motivationmentioning

confidence: 99%

Toward automated screening of band gap sensitivity in 2D materials

Fanta,

Dubecký

2023

J. Phys. Mater.

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Computational materials science relies on simple, yet efficient, measures and indicators of the modeled materials’ properties. Ideally, the desired properties should be linked to such scalar quantities that can be obtained in polynomial time and efficiently integrated within automated high-throughput screening loops for screening and sorting out the evaluated materials to the desired categories. Here, we focus on the freestanding gapped 2D materials and scalar indicator of their band gap sensitivity to the presence of additional stacked 2D layer/s. The proposed measure uses only a freestanding model of a given material, and it is based on an automated integration of theelectron density of frontier orbitals extending into the vacuum within the model unit cell. The usefulness and limitations of such an approach for materials pre-screening are demonstrated on a handful of 2D materials, like, e.g., MXenes, graphane, fluorographene, or, allotropes of phosphorus.

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Section: Motivationmentioning

confidence: 99%

Toward automated screening of band gap sensitivity in 2D materials

Fanta,

Dubecký

2023

J. Phys. Mater.

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“…Alternative renewable energy sources that are both economical and environmentally friendly, such as wind, solar, geothermal energy, biomass, and hydropower, are becoming increasingly important as a result of the conflicting pressures of the energy crisis and environmental pollution. [ 1–4 ] The world is running out of usable energy from fossil fuels, including coal, natural gas, oil, and nuclear power at the start of the 21st century, and renewable energies (wind and solar) are still too underdeveloped to provide a complete and flexible replacement. Since fossil fuels are limited resources and most estimates indicate that proven oil reserves will not be enough to meet today's global demand, humanity is moving toward a dependence on renewable energy today.…”

Section: Introductionmentioning

confidence: 99%

Quantum Junction Solar Cells: Development and Prospects

Aftab

Iqbal

Hussain

et al. 2023

Adv Funct Materials

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Nanocrystals, called semiconductor quantum dots (QDs), contain excitons that are three‐dimensionally bound. QDs exhibit a discontinuous electronic energy level structure that is similar to that of atoms and exhibit a distinct quantum confinement effect. As a result, QDs have unique electrical, optical, and physical characteristics that can be used in a variety of optoelectronic device applications, including solar cells. In this review article, the stable and controllable synthesis of QD materials is outlined for upscaling solar cells, including material development and device performance enhancement. It includes a systematic variety of device structures for the fabrication of solar cells, such as QD, hybrid QD/organic, hybrid QD/inorganic, perovskite QD, and hybrid 2D MXene QD/perovskite. The mechanisms for the improvement of stability by QD treatment are examined. For example, the 2D MXene QD and/or Cu1.8S nanocrystal doping significantly increases the long‐term light and ambient stability of perovskite solar cells, resulting from improved perovskite crystallization, reduced hole transport layer (HTL) aggregation and crystallization of films, and reduced UV‐induced photocatalytic activity of the electron transport layer (ETL). For the advancement of QD solar cells and their interaction with various materials, the conclusions from this review are crucial. Finally, future prospects for the development of QD solar cells as well as current challenges are discussed.

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“…6,10,11 Atomically thin layers of twodimensional (2D) materials with van der Waals (vdW) interaction have demonstrated the ability to replace cuttingedge silicon-based technology. 12 Transition metal dichalcogenides (TMDs) are being studied for use in next-generation transparent conducting materials. 13 They have higher visible and infrared light absorption, ultrahigh mobility, transparency, flexibility, stability, electrical conductivity, and thermal conductivity than traditional Si and GaAs.…”

Section: Introductionmentioning

confidence: 99%

“…Its maximum theoretical efficiency for a solar cell with a single p–n junction is 30% at 1.1 eV . The bulk PV effect, could give a solar cell a higher efficiency than S-Q limit. ,, Atomically thin layers of two-dimensional (2D) materials with van der Waals (vdW) interaction have demonstrated the ability to replace cutting-edge silicon-based technology . Transition metal dichalcogenides (TMDs) are being studied for use in next-generation transparent conducting materials .…”

Section: Introductionmentioning

confidence: 99%

Bulk Photovoltaic Effect in Two-Dimensional Distorted MoTe₂

Aftab,

Shehzad,

Salman Ajmal

et al. 2023

ACS Nano

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In future solar cell technologies, the thermodynamic Shockley-Queisser limit for solar-to-current conversion in traditional p−n junctions could potentially be overcome with a bulk photovoltaic effect by creating an inversion broken symmetry in piezoelectric or ferroelectric materials. Here, we unveiled mechanical distortioninduced bulk photovoltaic behavior in a two-dimensional (2D) material, MoTe 2 , caused by the phase transition and broken inversion symmetry in MoTe 2 . The phase transition from single-crystalline semiconducting 2H-MoTe 2 to semimetallic 1T′-MoTe 2 was confirmed using X-ray photoelectron spectroscopy (XPS). We used a micrometerscale system to measure the absorption of energy, which reduced from 800 to 63 meV during phase transformation from hexagonal to distorted octahedral and revealed a smaller bandgap semimetallic behavior. Experimentally, a large bulk photovoltaic response is anticipated with the maximum photovoltage V OC = 16 mV and a positive signal of the I SC = 60 μA (400 nm, 90.4 Wcm −2 ) in the absence of an external electric field. The maximum values of both R and EQE were found to be 98 mAW −1 and 30%, respectively. Our findings are distinctive features of the photocurrent responses caused by in-plane polarity and its potential from a wide pool of established TMD-based nanomaterials and a cutting-edge approach to optimize the efficiency in converting photons-to-electricity for power harvesting optoelectronics devices.

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Transition metal dichalcogenides solar cells and integration with perovskites

Cited by 40 publications

References 100 publications

Toward automated screening of band gap sensitivity in 2D materials

Toward automated screening of band gap sensitivity in 2D materials

Quantum Junction Solar Cells: Development and Prospects

Bulk Photovoltaic Effect in Two-Dimensional Distorted MoTe₂

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Transition metal dichalcogenides solar cells and integration with perovskites

Cited by 40 publications

References 100 publications

Toward automated screening of band gap sensitivity in 2D materials

Toward automated screening of band gap sensitivity in 2D materials

Quantum Junction Solar Cells: Development and Prospects

Bulk Photovoltaic Effect in Two-Dimensional Distorted MoTe2

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Product

Resources

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Bulk Photovoltaic Effect in Two-Dimensional Distorted MoTe₂