High-efficiency photocatalyst and high-response ultraviolet photodetector based on the Ga2SSe@GaN heterojunctions

Surfaces and Interfaces, Год журнала: 2024, Номер 52, С. 104996 - 104996

Опубликована: Авг. 23, 2024

Язык: Английский

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Point Defects in Hexagonal SiP Monolayer: A Systematic Investigation on the Electronic and Magnetic Properties

Advanced Theory and Simulations, Год журнала: 2024, Номер 7(6)

Опубликована: Май 5, 2024

Abstract In this work, point defects are proposed to modify the electronic and magnetic properties of SiP monolayer. Pristine monolayer is a non‐magnetic semiconductor 2D material with energy gap 1.52(2.21) eV as predicted by PBE(HSE06) functional. Single Si vacancy (), Si+P divacancy substituting one P atom () magnetize significantly Herein, total moments between 1.00 2.00 obtained . contrast, no magnetism induced single exchanging pair Si‐P positions (). Moreover, significant magnetization also achieved doping Li Cu atoms ( ), well ). Total 0.84 1.42 obtained. Interestingly, half‐metallicity observed in systems. When atom, F, Cl, Br impurities reduce bandgap, preserving its nature. moment 1.26 I atom. Results presented herein may introduce defected doped systems prospective candidates for spintronic optoelectronic applications.

Язык: Английский

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Preparation and performance study of electroplated Ni–W/diamond ultrathin dicing blades

Materials Science in Semiconductor Processing, Год журнала: 2024, Номер 175, С. 108280 - 108280

Опубликована: Фев. 28, 2024

Язык: Английский

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First-principles study on the electronic properties and feasibility of photocatalytic water splitting on Z-scheme GaN/MoS2 heterostructure

Journal of Physics and Chemistry of Solids, Год журнала: 2024, Номер 190, С. 112006 - 112006

Опубликована: Март 19, 2024

Язык: Английский

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Tuning the mechanical characteristics of ZnO nanosheets via C, F, and P doping: A DFT approach

Journal of Physics and Chemistry of Solids, Год журнала: 2024, Номер 191, С. 112036 - 112036

Опубликована: Апрель 9, 2024

Язык: Английский

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Boosting photocatalytic performance in Cu doped ZnO nanocomposites : Investigation of Exciton-free carrier conversion and oxygen vacancy dynamics.

Vacuum, Год журнала: 2024, Номер 226, С. 113241 - 113241

Опубликована: Май 10, 2024

Язык: Английский

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Stable WSeTe/PtTe2 van der Waals heterojunction: Excellent mechanical, electronic, and optical properties and device applications

Applied Surface Science, Год журнала: 2024, Номер 672, С. 160859 - 160859

Опубликована: Июль 29, 2024

Язык: Английский

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van der Waals ZnO/HfSn₂N₄ Heterojunction with Exceptional Photoresponse for Photodetectors

ACS Applied Materials & Interfaces, Год журнала: 2024, Номер 16(43), С. 58802 - 58810

Опубликована: Окт. 21, 2024

Two-dimensional van der Waals heterojunctions represent a promising avenue for spectrum of optoelectronic endeavors. Nonetheless, their deployment has been somewhat constrained by the suboptimal efficiency photocurrent generated. In this article, ZnO/HfSn2N4 heterojunction is proposed to achieve high photoresponse efficiency. First-principles calculations are utilized confirm that possesses thermal stability with direct bandgap (1.36 eV). It exhibits light absorption coefficient and carrier mobility (2.51 × 103 cm2 V-1 s-1), biaxial strain significant effect on modulation band structure. As tensile increases, changes nonlinearly, transitioning from type-II type-I heterojunction. When compressive decreases. Quantum transport simulations employed calculate density states transmission model, verifying its excellent (a peak reaching 4.93 a02/photon an extinction ratio 75.1). shows potentially efficient photodetector.

Язык: Английский

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First-principles study on MoSSe/ GaTe van der Waals heterostructures: A promising water-splitting photocatalyst

Results in Physics, Год журнала: 2024, Номер 58, С. 107520 - 107520

Опубликована: Фев. 27, 2024

Photocatalytic water splitting using semiconductor electrocatalysts in photoelectrochemical cells is an appealing approach to converting sunlight and into clean renewable hydrogen fuel. MoSSe/GaTe der Waals heterojunctions has recently been suggested as a promising photocatalyst for splitting. Depending on the stacking mode, two type have moderate band gaps of 1.081 eV 1.307 eV, significant visible absorption coefficients, band-edge positions spanning redox potential water. Bader charge differential density analyses show that GaTe layer loses electrons MoSSe monolayer gains electrons, resulting built-in electric field pointing from layer. Moreover, Gibbs free energy diagram indicates solar can effectively drive junction. The influence bi-axial strain pH value are discussed. Therefore, heterostructures applications photocatalytic decomposition.

Язык: Английский

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First principles study on electronic, optical and catalytic properties of designed Zr-doped structures based on Hf2CO2

Journal of Molecular Structure, Год журнала: 2024, Номер 1308, С. 137991 - 137991

Опубликована: Март 7, 2024

Язык: Английский

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