A5074136243- Catalysis for Biomass Conversion
- Metal-Organic Frameworks: Synthesis and Applications
- nanoparticles nucleation surface interactions
- Biofuel production and bioconversion
- Adsorption and Cooling Systems
- Magnesium Oxide Properties and Applications
- Catalytic Processes in Materials Science
- Electronic and Structural Properties of Oxides
- Asymmetric Hydrogenation and Catalysis
- Conducting polymers and applications
- Nanomaterials and Printing Technologies
- Zeolite Catalysis and Synthesis
- Polyoxometalates: Synthesis and Applications
- Advanced Sensor and Energy Harvesting Materials
- Advanced Chemical Physics Studies
- Mesoporous Materials and Catalysis
University of Delaware
2020-2023
Center for Innovation
2021-2022
National Taiwan University
2018
With increasing demands for high-performance water sorption materials, metal-organic frameworks (MOFs) have gained considerable attention due to their high maximum uptake capacities. In many cases, however, overall capacity is not necessarily accomplishing working under operating conditions, insufficient hydrophilicity and/or stability. Herein, we present a post-synthetic modification (PSM) of MOF-808, with di-sulfonic acids enhancing simultaneously its and stability without sacrificing ≈30...
We report the direct Brønsted acid-catalyzed glucose dehydration in methyl isobutyl ketone solvent doped with small fractions of water to a high yield 5-hydroxymethylfurfural (HMF) (74%) at low temperatures without using Lewis acid catalyst, but mechanistic understanding remains unclear. combine fast experimental reaction kinetics, quantum mechanics/molecular mechanics molecular dynamics (QM/MM MD) simulations, IR and 13C NMR spectroscopy, kinetic isotope effects elucidate infer potential...
Biphasic dehydration of fructose to 5-hydroxymethylfurfural (HMF) has shown unprecedented increases in productivity, but a mechanistic understanding is lacking. Herein, we couple fast experimental reaction kinetics, multiscale modeling (phase behavior, classical molecular dynamics(MD), and quantum mechanics/molecular mechanics MD), situ sampling, IR 13C-NMR spectroscopy elucidate the complex effects nonpolar extracting organic solvents on kinetics dehydration. We show that these can reach...
It has been reported that the rate of direct acylation 2-methylfuran (2-MF) by acetic acid (AcOH) in H-ZSM5 and H-BEA zeolites is controlled dehydration formation acyl intermediate, which raises reasonable question whether it could be accelerated an acidic catalyst stronger than aluminosilicate. We report on a comprehensive computational study reaction over Keggin-type phosphotungstic (HPW), widely considered superacid, H-BEA. find HPW can catalyze 2-MF 1.5 times as fast but not because more...
Abstract With increasing demands for high‐performance water sorption materials, metal‐organic frameworks (MOFs) have gained considerable attention due to their high maximum uptake capacities. In many cases, however, overall capacity is not necessarily accomplishing working under operating conditions, insufficient hydrophilicity and/or stability. Herein, we present a post‐synthetic modification (PSM) of MOF‐808, with di‐sulfonic acids enhancing simultaneously its and stability without...
We have conducted AIMD free energy simulations to examine the dynamics of Pt atoms and Ptn (n = 2–3) species on dry γ-Al2O3(100), γ-Al2O3(110), wet γ-Al2O3(110) surfaces, with OH coverages corresponding 500 K (11.8 OH/nm2) 800 (5.9 OH/nm2), while varying Sn loading. Under same conditions temperature, comparing (100) (110) surface terminations revealed that interactions between play a crucial role in determining whether potential mean force reduced is repulsive, as observed surface, or if it...
In this study, a composite material with healable and foldable features is formulated to print conductive patterns on rough surfaces, such as paper, cloth, three-dimensional (3D) printed objects. Carbon nanotubes (CNTs) are mixed wax formulate solid for pen writing. The has low percolation threshold of 2.5 wt % CNTs can be written various substrates, paper create electronic conductors. Because the strong infrared (IR) absorption CNTs, selectively sintered by noncontact IR radiation...
Abstract Phosphorus‐modified all‐silica zeolites exhibit activity and selectivity in certain Brønsted acid catalyzed reactions for biomass conversion. In an effort to achieve similar performance with catalysts having well‐defined sites, we report the incorporation of acidity metal–organic frameworks UiO‐66 topology, achieved by attaching phosphonic 1,4‐benzenedicarboxylate ligand using it form UiO‐66‐PO 3 H 2 post‐synthesis modification. Characterization reveals that retains stability...
We perform ab initio molecular dynamics (AIMD) free energy simulations to investigate the stability and of dispersed Pd atoms subnanometer clusters on γ-Al2O3. consider nucleation for varying loadings dry γ-Al2O3 (100), (110), wet (110) examine temperature, entropy, water coverage effects clusters. At low loading (1.07 atoms/nm2 (100) 0.75 Pd/nm2 (110)), association is thermodynamically unfavorable surfaces almost thermoneutral owing blocking AlIII defect sites. In agreement with past...