Journal of Catalysis, Journal Year: 2025, Volume and Issue: 443, P. 115958 - 115958
Published: Jan. 13, 2025
Language: Английский
Chemical Society Reviews, Journal Year: 2024, Volume and Issue: 53(6), P. 3065 - 3095
Published: Jan. 1, 2024
The local reaction environment of catalytic active sites can be manipulated to modify the kinetics and thermodynamic properties heterogeneous catalysis. Because unique physical-chemical nature water, heterogeneously catalyzed reactions involving specific interactions between water molecules on catalysts exhibit distinct outcomes that are different from those performed in absence water. Zeolitic materials being applied with presence for chemical industry our transition sustainable energy. Mechanistic investigation in-depth understanding about behaviors roles essentially required zeolite chemistry In this review, we focus discussions structures adsorbed/stabilized Brønsted Lewis acidic zeolites based experimental observations as well theoretical calculation results. unveiled functions determining efficacy zeolite-catalyzed have been overviewed strategies frequently developed enhancing stabilization highlighted. Recent advancement will contribute development innovative rationalization performances terms activity, selectivity stability vapor or condensed aqueous phase.
Language: Английский
Citations
30
Russian Chemical Reviews, Journal Year: 2023, Volume and Issue: 92(12), P. RCR5104 - RCR5104
Published: Dec. 1, 2023
After the appearance of green chemistry concept, which was introduced in vocabulary early 1990s, its main statements have been continuously developed and modified. Currently, there are 10–12 cornerstones that should form basis for an ideal chemical process. This review analyzes accumulated experience achievements towards design products processes reduce or eliminate use generation hazardous substances. The presents views leading Russian scientists specializing various fields this subject, including homogeneous heterogeneous catalysis, fine basic organic synthesis, electrochemistry, polymer chemistry, based on bio-renewable feedstocks energetic compounds materials. A new approach to quantitative evaluation environmental friendliness by authors is described. <br> bibliography includes 1761.
Language: Английский
Citations
39
Journal of Catalysis, Journal Year: 2024, Volume and Issue: 433, P. 115482 - 115482
Published: April 8, 2024
The future of computational heterogeneous catalysis is shaped by machine learning in two different but equally important areas: (i) development atomistic potentials that closely approximate DFT and wavefunction based ab initio methods (MP2, CCSD(T)), are computationally more efficient, (ii) finding structure reactivity descriptors for predicting catalytic materials reactions. Machine Learning Potentials will enable improved sampling the potential energy surface (PES) reaction conditions, they not do better than data on which trained. Therefore, this perspective focusses ways improving quality PES beyond generalized gradient approximation (GGA) climbing Jacob's ladder functionals up to RPA using such as MP2 CCSD(T). It problem solving close collaboration with experiment has made methodology relevant remains an aspect science catalysis.
Language: Английский
Citations
14
Fuel, Journal Year: 2024, Volume and Issue: 363, P. 130902 - 130902
Published: Jan. 13, 2024
Language: Английский
Citations
10
Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 482, P. 148705 - 148705
Published: Jan. 12, 2024
Language: Английский
Citations
9
Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 159282 - 159282
Published: Jan. 1, 2025
Language: Английский
Citations
1
Journal of environmental chemical engineering, Journal Year: 2025, Volume and Issue: unknown, P. 115613 - 115613
Published: Jan. 1, 2025
Language: Английский
Citations
1
ACS Catalysis, Journal Year: 2024, Volume and Issue: 14(7), P. 4984 - 4998
Published: March 19, 2024
Zeolites modified with metal (Zn, Ga, Ni, etc.) species of various nature and composition perform oligomerization light alkenes high conversion selectivity to dimeric products. Despite the significant difference in catalytic properties metal-modified zeolites compared unmodified H-form zeolite performance, ability metal-containing sites catalyze alkene has been debated, key role attributed Brønsted acid (BAS). However, recent spectroscopic theoretical investigations provide evidence for involvement transformations. In this Review, we have outlined features BAS-assisted further discussed characteristics assisted by sites. The possible mechanisms metal-assisted hydrocarbon chain elongation categorized into several types depending on intermediate: alkyl-based, vinyl-based, allyl-based, metallacycle. emphasis placed (13C MAS NMR FTIR) these intermediates, both experimentally available also hypothetically expected, that serve as indicators reaction occurrence assistance BAS remaining problems challenges concerning detection identification intermediates catalysts strategies solve them future studies are outlined.
Language: Английский
Citations
8
Advanced Materials, Journal Year: 2024, Volume and Issue: 36(21)
Published: Feb. 26, 2024
Understanding the synergism between metal site and acid is of great significance in boosting efficiency bi-functional catalysts many heterogeneous reactions, particularly biomass upgrading. Herein, a "confined auto-redox" strategy reported to fix CeO
Language: Английский
Citations
7
Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 488, P. 151036 - 151036
Published: April 5, 2024
Language: Английский
Citations
6