Molecular Catalysis, Год журнала: 2024, Номер 570, С. 114694 - 114694
Опубликована: Ноя. 20, 2024
Язык: Английский
Molecular Catalysis, Год журнала: 2024, Номер 570, С. 114694 - 114694
Опубликована: Ноя. 20, 2024
Язык: Английский
Applied Materials Today, Год журнала: 2025, Номер 42, С. 102595 - 102595
Опубликована: Янв. 14, 2025
Язык: Английский
Процитировано
0Physics of Fluids, Год журнала: 2025, Номер 37(2)
Опубликована: Фев. 1, 2025
The effective separation and capture of CO2 over C2H2 CH4 via T-C3N2 monolayer membranes modulated by strain, charge, their synergistic effect was realized using molecular dynamics simulations density functional theory calculations. strained exhibits high permeability 2.15 × 107 2.32 GPU at 300 K in the CO2/C2H2 CO2/CH4 separation. introduction negative charges is a promising approach for improving performance due to breaking trade-off effects, that is, not only enhanced (2.94–3.07) ×107 but also selectivity relative improved 4.40 1033 2.82 1022, higher 1016 orders magnitude compared pure T-C3N2. effects strain effectively enhance performance, effectiveness surpasses modulation slightly weaker than individual charge modulation. adsorption strength on surface can be significantly increased charges. Moreover, capture/release on/from could modulating process injection/removal uptake capacity reaches 5.26 1014 cm−2, which superior other membrane materials. demonstrated enhancement modulations suggests broad prospects applications efficient from low-carbon hydrocarbon gases carbon capture.
Язык: Английский
Процитировано
0ACS Applied Materials & Interfaces, Год журнала: 2025, Номер 17(9), С. 13896 - 13904
Опубликована: Фев. 24, 2025
Perovskite materials have been identified as promising photocatalysts for CO2 reduction due to their unique physicochemical and optical characteristics. This study employs lead-free halide double perovskites based on Cs2AgMCl6 (M-Bi, In, Sb or mixed composition) carbon dioxide reduction. It was found that perovskite are highly selective toward formic acid production, with more than 80% selectivity. The Cs2AgInCl6 material shows the best performance, a conversion of 85.5 μmol g-1 h-1. These show excellent structural stability over 24 h under photocatalytic conditions. Furthermore, selectivity product investigated using density functional theory calculations, results low free-energy barrier formation compared other products, including monoxide methane. Ag site [110] terminated surface is be favorable catalytic
Язык: Английский
Процитировано
0Environmental Research, Год журнала: 2025, Номер unknown, С. 121406 - 121406
Опубликована: Март 1, 2025
Язык: Английский
Процитировано
0Research on Chemical Intermediates, Год журнала: 2025, Номер unknown
Опубликована: Апрель 28, 2025
Язык: Английский
Процитировано
0Molecular Catalysis, Год журнала: 2024, Номер 570, С. 114694 - 114694
Опубликована: Ноя. 20, 2024
Язык: Английский
Процитировано
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