Exploring the structural, hydrogen storage capacity, electronic and optical properties of H-rich AlHx(x=4, 5 and 6) hydrogen storage materials: A first-principles study

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 82, С. 1308 - 1313

Опубликована: Авг. 8, 2024

Язык: Английский

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Prediction of the Structural, Mechanical, and Physical Properties of GaC: As a Potential Third-Generation Semiconductor Material

Inorganic Chemistry, Год журнала: 2024, Номер 63(18), С. 8264 - 8272

Опубликована: Апрель 26, 2024

Similar to GaN and SiC semiconductors, GaC may be a potential semiconductor because of the mixed elemental features Ga C. Unfortunately, phase stability mechanical physical properties are unknown. To search for novel third-generation present study delves into an in-depth analysis structural electronic optical by DFT calculations. GaN, three phases discussed. It is found that (two cubic one hexagonal phase) first predicted. The band gaps Fm3̅m, F4̅3m, 0.449, 2.733, 3.340 eV, respectively. In particular, gap F4̅3m bigger than GaN. Compared C-2p state in valence region across Fermi level, which beneficial mobility transport capacity near level. addition, exhibit ultraviolet properties. peak produces right migration compared semiconductor. Therefore, author predicts material potentially used future industries.

Язык: Английский

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Enhanced catalytic activity of noble metal@borophene/WS2 heterojunction for hydrogen evolution reaction

Applied Surface Science, Год журнала: 2024, Номер unknown, С. 161321 - 161321

Опубликована: Сен. 1, 2024

Язык: Английский

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Tunability of the electronic structure of GaN third generation semiconductor for enhanced band gap: The influence of B concentration

Materials Science and Engineering B, Год журнала: 2024, Номер 308, С. 117554 - 117554

Опубликована: Июль 8, 2024

Язык: Английский

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MXene nanomaterials: Synthesis, properties and applications in energy and environment sector

Journal of Alloys and Compounds, Год журнала: 2024, Номер 1001, С. 175172 - 175172

Опубликована: Июнь 12, 2024

Язык: Английский

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New insight into the structural, mechanical and thermodynamic properties of Mo2C MXene as the ultrahigh temperature ceramics

Materials Today Chemistry, Год журнала: 2024, Номер 42, С. 102449 - 102449

Опубликована: Дек. 1, 2024

Язык: Английский

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Enhancing the electronic and optical properties of β-Ga2O3: effects of B-, N-, and B-N doping

Journal of Alloys and Compounds, Год журнала: 2025, Номер unknown, С. 178426 - 178426

Опубликована: Янв. 1, 2025

Язык: Английский

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Transition metal improved the dehydrogenated capacity, electronic and optical properties of the layered V2C MXene for hydrogen evolution reaction

Surfaces and Interfaces, Год журнала: 2025, Номер unknown, С. 106185 - 106185

Опубликована: Март 1, 2025

Язык: Английский

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New insight into the structural, hydrogen storage capacity, dehydrogenated mechanism and physical properties of Alkali metal AMAlH4 hydrides

Journal of Alloys and Compounds, Год журнала: 2025, Номер 1021, С. 179661 - 179661

Опубликована: Март 10, 2025

Язык: Английский

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Improving the balance between the strength and ductility of γ-TiAl alloy: An adjustment strategy for alloy doping

Materials Today Communications, Год журнала: 2025, Номер 42, С. 111515 - 111515

Опубликована: Янв. 1, 2025

Язык: Английский

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