A5005516258- Advanced Photocatalysis Techniques
- Cyclopropane Reaction Mechanisms
- Asymmetric Synthesis and Catalysis
- Advanced oxidation water treatment
- Catalytic Processes in Materials Science
- Synthetic Organic Chemistry Methods
- Gas Sensing Nanomaterials and Sensors
- Electrocatalysts for Energy Conversion
- Ammonia Synthesis and Nitrogen Reduction
- Carbon Dioxide Capture Technologies
- Covalent Organic Framework Applications
- Industrial Gas Emission Control
- Adsorption, diffusion, and thermodynamic properties of materials
- Electrochemical Analysis and Applications
- Fluorine in Organic Chemistry
- Carbon Nanotubes in Composites
- Indoor Air Quality and Microbial Exposure
- Phase Equilibria and Thermodynamics
- Odor and Emission Control Technologies
- Cancer therapeutics and mechanisms
- Organic Chemistry Cycloaddition Reactions
- Membrane Separation and Gas Transport
- CO2 Reduction Techniques and Catalysts
- Catalysis and Oxidation Reactions
- Catalysis and Hydrodesulfurization Studies
University of Science and Technology of China
2022-2024
Northeast Petroleum University
2021-2024
Hefei National Center for Physical Sciences at Nanoscale
2023-2024
Nanchang University
2024
Huaiyin Normal University
2016
Colorado State University
1998-1999
Osaka Prefecture University
1993-1998
Understanding the structural evolution of single-atom catalysts (SACs) in catalytic reactions is crucial for unraveling their mechanisms. In this study, we utilize density functional theory calculations to delve into active phase and oxygen reduction reaction (ORR) mechanism tungsten semicarbide-based transition metal SACs (TM1/W2C). The stable crystal phases optimal surface exposures W2C are identified by using ab initio atomistic thermodynamics simulations. Focusing on W-terminated (001)...
Regulating the spin states of catalysts to enhance activity is fascinating but challenging. Herein, by using first-principles calculations, single transition-metal (TM) atoms Mo, Re, and Os embedded in nitrogen vacancy MoSi2N4 monolayer (TM1/VN-MoSi2N4) were screened out as potential for electrochemical reduction reaction ammonia. Our findings suggest that these active centers can be precisely gradually tuned through a simple doping strategy. Additionally, one O atom into Mo1/VN-MoSi2N4...
Enhancing the selectivity of photocatalytic CO2 reduction to valuable multicarbon (C2+) products remains a significant challenge in green synthetic chemistry. Here, we present dual-center strategy for metal oxides that boosts photochemical conversion ethanol by regulating coordination number and oxygen sites. Notably, CuO catalysts rich low-coordinated Cu–O domains have achieved nearly perfect (96.9%), extraordinary durability (60 h), superior yield rate 30.5 μmol·g–1·h–1, surpassing...
A series of chiral ketones derived from carbohydrates were investigated as catalysts for the asymmetric epoxidation. Fructose-derived are found to be efficient catalysts. The studies show that structural requirements ketone very stringent and different types olefins may require with arrangements. current study allows us further understand catalyzed epoxidation provides some insight development new
Power plant flue gas and industrial waste are produced in large quantities. Using these as feedstocks for CO2 electroreduction has important practical significance the treatment of excessive emissions. However, O2 such sources strongly inhibits electrochemical conversion CO2. The inhibitory effect can be mitigated by constructing CO2-enriched regions on surface cathode. In this study, reaction zone was controlled selective adsorption oxygen-functionalized carbon materials. results quantum...
Dispersion of a platinum monolayer on MXenes facilitates charge transfer from the Mo 2 TiC support to Pt at interface, characterized by MSI, thereby accumulating atoms and significantly boosting HER activity.
To develop high-performance and low-cost catalysts for electrochemical nitrogen reduction reaction (eNRR) in producing ammonia, a promising alternative to the Haber–Bosch process continues be substantial challenge. Herein, by using density functional theory calculations, single-atom-supported pristine nitrogen-doped (N-doped) graphdiyne (GDY) monolayer-catalyzed eNRR were investigated realize high performance via rational design. Candidate include 10 different transition-metal (M = Cr, Mn,...
The pore size range of activated carbon has an important effect on formaldehyde adsorption, while nitrogen-doped can promote but the mechanism adsorption at different not been elaborated clearly. Therefore, this paper investigates scales. Through simulation, it is concluded that does broaden optimal for and still 6 Å, improve non-bonding interactions between molecules by changing electrostatic distribution surface carbon, which enhances molecules. In addition, interaction decreases with...
Abstract (-)-Trans-4-t-butyldimethylsilyloxymethyl-2-cyclopentenol (13), a key intermediate for the synthesis of (-)-carbovir (15), was synthesized by using enantioselective bicyclic ring construction chiral α-diazo-β-keto ester 3 catalyzed rhodium (II) acetate. Notes Direct conversion methyl 1 to 2 exchange method in presence 4-DMAP PhMe at reflux 15 h (see, ref. 5a) gave poor yield (33%, and 19% recovered). On other hand, when copper bronze powder used as catalyst, reaction toluene...
The reaction of bicyclo[3.1.0]hexane 1, possessing a doubly activated cyclopropane ring, with acetic acid and potassium acetate in DMSO proceeded smoothly to give the adduct 2 good yield. A formal total synthesis potent anti-HIV agent (±)-carbovir (9) was done by converting into known precursor 8 steps via allyl alcohol 7 including regioselective introduction double bond (4 5) attachment nucleobase using Mitsunobu (7 8).