Influence of “Productive” Impurities (Cd, Na, O) on the Properties of the Cu<sub>2</sub>ZnSnS<sub>4</sub> Absorber of Model Solar Cells

Sergeyev, D.; Zhanturina, N.; Aizharikov, A.; Попов, А. И.

doi:10.2478/lpts-2021-0042

Cited by 3 publications

(2 citation statements)

References 42 publications

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“…The choice of the charge values from −2e to 2e was due to the fact that the state of small molecules with more than two additional electrons becomes unstable. Geometry optimization was implemented in the Atomistix ToolKit Virtual NanoLab 15.1 (Denmark, Syn-opsis) (ATK VNL) [29,31], which has already been successfully tested in a series of computational works [32][33][34][35][36][37][38][39][40][41]. ATK VNL is the leading, industry-proven platform for modeling materials, nanostructures, and nanoelectronic devices at the atomic scale.…”

Section: Geometrymentioning

confidence: 99%

Simulation of a Single-Electron Device Based on Endohedral Fullerene (KI)@C180

et al. 2023

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The progress of modern electronics largely depends on the possible emergence of previously unknown materials in electronic technology. The search for and combination of new materials with extraordinary properties used for the production of new small-sized electronic devices and the improvement of the properties of existing materials due to improved technology for their manufacture and processing, in general, will determine the progress of highly promising electronics. In order to solve the problematic tasks of the miniaturization of electronic components with an increase in the level of connection of integrated circuits, new forms of electronic devices are being created using nanomaterials with controlled electrophysical characteristics. One of the unique properties of fullerene structures is that they can enclose one or several atoms inside their carbon framework. Such structures are usually called endohedral fullerenes. The electronic characteristics of endohedral fullerenes significantly depend on the properties of the encapsulated atom, which makes it possible to control them by choosing the encapsulated atom required by the property. Within the framework of the density functional theory in combination with the method of the nonequilibrium Green’s functions, the features of electron transport in fullerene nanojunctions were considered, which demonstrate “core–shell” nanoobjects, the “core” of which is an alkali halide crystal—KI—and the “shell” of which is an endohedral fullerene C180 located between the gold electrodes (in the nanogap). The values of the total energy and the stability diagram of a single-electron transistor based on endohedral fullerene (KI)@C180 were determined. The dependence of the total energy of fullerene molecules on the charge state is presented. The ranges of the Coulomb blockade, as well as their areas associated with the central Coulomb diamond were calculated.

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Section: Geometrymentioning

confidence: 99%

Simulation of a Single-Electron Device Based on Endohedral Fullerene (KI)@C180

et al. 2023

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“…However, recent studies have highlighted certain limitations in the energy conversion efficiency of silicon-based photovoltaic cells [3,4], catalyzing the exploration of alternative semiconducting materials. In this vein, semiconductors such as cadmium telluride (CdTe) [5,6], gallium arsenide (GaAs) [7,8], indium phosphide (InP) [9,10], and complex ternary compounds like Cd x Te y O z [11,12], Al x Ga 1−x As [13,14], and CuGa x In 1−x Se 2 [15,16] have garnered significant attention. Despite the promising attributes of these materials, they are often compromised by high production costs [17].…”

Section: Introductionmentioning

confidence: 99%

Improvement of β-SiC Synthesis Technology on Silicon Substrate

Suchikova,

Kovachov,

Bohdanov

et al. 2023

Technologies

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This article presents an enhanced method for synthesizing β-SiC on a silicon substrate, utilizing porous silicon as a buffer layer, followed by thermal carbide formation. This approach ensured strong adhesion of the SiC film to the substrate, facilitating the creation of a hybrid hetero-structure of SiC/por-Si/mono-Si. The surface morphology of the SiC film revealed islands measuring 2–6 μm in diameter, with detected micropores that were 70–80 nm in size. An XRD analysis confirmed the presence of spectra from crystalline silicon and crystalline silicon carbide in cubic symmetry. The observed shift in spectra to the low-frequency zone indicated the formation of nanostructures, correlating with our SEM analysis results. These research outcomes present prospects for the further utilization and optimization of β-SiC synthesis technology for electronic device development.

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Computer simulation of the density of states and band structure of NaF nanotubes

Istlyaup,

Myasnikova,

Sergeyev

et al. 2024

Low Temperature Physics

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Modern solid-state physics increasingly focuses on the study of nanomaterials and the development of nanotechnologies. Various theoretical methods and research technologies are actively used to elucidate the significance of experimental results related to the study of solid-state defects. Progress in this field is likely associated with advancements in computer technologies and the development of modern quantum-chemical packages. The obtained spectra reveal a certain number of energy levels in the energy range from –30 to 20 eV. We determine the band structure, density of states, and total energy of NaF nanotubes with parameters (m, n), where m = 4, 5, 6, 8, and n = 1, 2, 3. The characteristics modeling is conducted using the Atomistix ToolKit software package and Virtual NanoLab program. This work presents the results of computer modeling of the density of states and total energy of NaF nanotubes within the framework of density functional theory. The obtained results allow classifying the tubular structures of NaF as quantum dots and contribute to further research into alkali metal halide crystals in nanostructures.

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Influence of “Productive” Impurities (Cd, Na, O) on the Properties of the Cu₂ZnSnS₄ Absorber of Model Solar Cells

Cited by 3 publications

References 42 publications

Simulation of a Single-Electron Device Based on Endohedral Fullerene (KI)@C180

Simulation of a Single-Electron Device Based on Endohedral Fullerene (KI)@C180

Improvement of β-SiC Synthesis Technology on Silicon Substrate

Computer simulation of the density of states and band structure of NaF nanotubes

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Influence of “Productive” Impurities (Cd, Na, O) on the Properties of the Cu2ZnSnS4 Absorber of Model Solar Cells

Cited by 3 publications

References 42 publications

Simulation of a Single-Electron Device Based on Endohedral Fullerene (KI)@C180

Simulation of a Single-Electron Device Based on Endohedral Fullerene (KI)@C180

Improvement of β-SiC Synthesis Technology on Silicon Substrate

Computer simulation of the density of states and band structure of NaF nanotubes

Contact Info

Product

Resources

About

Influence of “Productive” Impurities (Cd, Na, O) on the Properties of the Cu₂ZnSnS₄ Absorber of Model Solar Cells