Separation and Purification Technology, Journal Year: 2024, Volume and Issue: 338, P. 126542 - 126542
Published: Jan. 30, 2024
Language: Английский
Separation and Purification Technology, Journal Year: 2024, Volume and Issue: 338, P. 126542 - 126542
Published: Jan. 30, 2024
Language: Английский
Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 465, P. 142856 - 142856
Published: April 12, 2023
Language: Английский
Citations
31Advanced Functional Materials, Journal Year: 2023, Volume and Issue: 33(36)
Published: May 17, 2023
Abstract Achieving high NO conversion and N 2 selectivity in selective catalytic reduction of by CO (CO‐SCR) a wide operating temperature window, particularly the presence O concentration, remains big challenge. Herein, guided density functional theory (DFT) calculations, catalyst is rationally developed with dual active centers consisting both Co single‐atoms (SAs) CoO x nanoclusters (NCs) co‐anchored on Ce 0.75 Zr 0.25 support (CZO), which show above 99.7% 100% at 250–400 °C under 5 vol% . DFT calculation experimental results confirm strong interaction among SAs, NCs, CZO support. SAs enhance adsorption accompany oxygen vacancies (OVs) formation CZO, while NCs promote to nitrate intermediate breakage NO bond OVs, thus synergistically boosting formation.
Language: Английский
Citations
28Fuel, Journal Year: 2023, Volume and Issue: 355, P. 129405 - 129405
Published: Aug. 10, 2023
Language: Английский
Citations
25Journal of Catalysis, Journal Year: 2024, Volume and Issue: 430, P. 115311 - 115311
Published: Jan. 20, 2024
Language: Английский
Citations
12ACS Catalysis, Journal Year: 2024, Volume and Issue: 14(13), P. 10245 - 10259
Published: June 21, 2024
The conversion of H2S to high-value-added products is appealing for alleviating environmental pollution and realizing resource utilization. Herein, we report the reduction nitrobenzene aniline using waste as a "hydrogen donor" over catalyst FeCeO2−δ with abundant oxygen vacancies (Ov), especially an asymmetric vacancy (ASOv). electron-rich nature ASOv sites facilitates electron transfer electron-deficient nitro group, promoting adsorption activation Ph–NO2 through elongation cleavage N–O bond. Benefiting from formation sites, resulting achieves impressive 85.6% 81.9% Ph–NH2 selectivity at 1.5 MPa 90 °C, which surpasses that pure CeO2 flower rod morphologies. In situ FT-IR measurements combined density functional theory calculations have elucidated plausible reaction mechanism rate-limiting step in hydrogenation by H2S.
Language: Английский
Citations
12Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 49, P. 104376 - 104376
Published: April 28, 2024
Language: Английский
Citations
10Separation and Purification Technology, Journal Year: 2024, Volume and Issue: 336, P. 126234 - 126234
Published: Jan. 5, 2024
Language: Английский
Citations
9Applied Catalysis B Environment and Energy, Journal Year: 2025, Volume and Issue: unknown, P. 125066 - 125066
Published: Jan. 1, 2025
Language: Английский
Citations
1Langmuir, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 14, 2025
The mechanisms of NO reduction by CO over nitrogen-doped graphene (N-graphene)-supported single-atom Ni catalysts in the presence O2, H2O, CO2, and SO2 have been studied via density functional theory (DFT) modeling. catalyst is represented a single atom bonded to four N atoms on N-graphene. Several alternative reaction pathways, including adsorption site, direct CO, decomposition N2O followed N2, formation active oxygen radical O*, O* were hypothesized energy barrier corresponding each steps was calculated using DFT. most probable pathway found be that adsorbed site decomposes Langmuir-Hinshelwood mechanism form subsequently leaving an (O*) surface, which then reduced CO. large results strong resistance SO2, water vapor. activation N2 larger than those illustrating step rate-controlling step.
Language: Английский
Citations
1Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 161491 - 161491
Published: March 1, 2025
Language: Английский
Citations
1