A5053563558- Ammonia Synthesis and Nitrogen Reduction
- Electrocatalysts for Energy Conversion
- Gas Sensing Nanomaterials and Sensors
- Asymmetric Synthesis and Catalysis
- Advanced Photocatalysis Techniques
- Fuel Cells and Related Materials
- Axial and Atropisomeric Chirality Synthesis
- Conducting polymers and applications
- Advancements in Solid Oxide Fuel Cells
- Electrochemical sensors and biosensors
- Graphene research and applications
- Caching and Content Delivery
- Advanced Sensor and Energy Harvesting Materials
- Carbon Dioxide Capture Technologies
- Membrane Separation and Gas Transport
- Superconductivity in MgB2 and Alloys
- Machine Learning in Materials Science
- Synthetic Organic Chemistry Methods
- Oxidative Organic Chemistry Reactions
- Supercapacitor Materials and Fabrication
- Metal-Organic Frameworks: Synthesis and Applications
- Antibiotics Pharmacokinetics and Efficacy
- Synthesis and Characterization of Heterocyclic Compounds
- Synthesis and biological activity
- Catalytic Processes in Materials Science
California State University, Northridge
2024
Chung Yuan Christian University
2019-2023
The electrochemical nitrogen reduction reaction (NRR) offers a promising strategy to resolve high energy consumption in the industry. Recently, regulation of electronic structure single-atom catalysts (SACs) by adjusting their coordination environment has emerged as rather further enhance electrocatalytic activity. Herein, we design novel SACs supported thiophene-linked porphyrin (TM-N4/TP and TM-N4-xBx/TP, where TM = Sc Au) potential NRR using density functional theory calculations. Among...
Electrochemical nitrate reduction reaction (NO3RR) has promise for both nitrogen pollution management and low-temperature ammonia production instead of the conventional Haber–Bosch process. Nevertheless, it relies on electrocatalysts with controllable pathways product selectivity. Herein, we design novel homonuclear double-atom catalysts (DACs) supported N-doped graphene (TM2/N6-G) as potential NO3RR using first-principles calculations. The results reveal that Cr2/N6-G, Mn2/N6-G, Cu2/N6-G...
Abstract Developing efficient and anti‐corrosive oxygen reduction reaction (ORR) catalysts is of great importance for the applications proton exchange membrane fuel cells (PEMFCs). Herein, we report a novel approach to prepare metal oxides supported intermetallic Pt alloy nanoparticles (NPs) via reactive metal‐support interaction (RMSI) as ORR catalysts, using Ni‐doped cubic ZrO 2 (Ni/ZrO ) L1 0 −PtNi NPs proof concept. Benefiting from Ni migration during RMSI, vacancy concentrations in...
We fulfill a comprehensive study based on density functional theory (DFT) computations to cast insight into the dissociation mechanism of hydrogen molecule pristine, B-, and N-doped penta-graphene. The doping effect has been also illustrated by varying concentration dopant from 4.2 at% (one atom in 24 host atoms) 8.3 (two atoms contemplating different sites. Our theoretical investigation shows that adsorption energy H2 H substrate can be substantially enhanced incorporating boron or nitrogen...
The Haber-Bosch (H–B) process might take place by electrochemical nitrogen reduction reaction (NRR) to generate ammonia if appropriate electrocatalysts can be matured. We methodically investigate the mechanisms of NRR on a single-atom metal anchored penta-graphene (TM-PG, TM = Sc–Hg) density functional theory computations. Particularly, 14 TM-PGs including Ti-, V-, Cr-, Co-, Cu-, Nb-, Mo-, Tc-, Ru-, Rh-, W-, Re-, Os-, and Ir-PG are selected benefiting from their high activity for (limiting...
Abstract Chemical synthesis of unconventional topologically close‐packed intermetallic nanocrystals (NCs) remains a considerable challenge due to the limitation large volume asymmetry between components. Here, series Frank‐Kasper C15 phase Ir 2 M (M = rare earth metals La, Ce, Gd, Tb, Tm) NCs is successfully prepared via molten‐salt assisted reduction method as efficient electrocatalysts for hydrogen evolution reaction (HER). Compared disordered counterpart (A1‐Ir Ce), C15‐Ir Ce features...
A variety of benzimidazole by the heterocyclization orthophenylenediamine were synthesized in 69–86% yields. The compounds 3a-f and 6a-f characterized further investigated as jack bean urease inhibitors. Density functional theory (DFT) studies performed utilizing basis set B3LYP/6-31G (d, p) to acquire perception into their structural properties. Frontier molecular orbital (FMO) analysis all 3a–f was computed at same level get a notion about chemical reactivity stability. mapping...
In this study, we reported a hydrogen-bond-donor-directed enantiodivergent vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with isatins and o-quinones. Both enantiomers can be prepared by thiourea or squaramide cinchona alkaloid bifunctional organocatalysts the same quinine scaffold. Kinetic study data provided possible mechanism for reaction. The DFT calculation showed geometry generated dienolates from pronucleophiles dominated observed switch enantioselectivity.
Abstract We reported a solvent‐controlled enantiodivergent Friedel‐Crafts reaction of 1‐naphthols with vinylogous imine intermediates, which were generated from arylsulfonyl indoles. This was catalyzed by single cinchona alkaloid bifunctional organocatalyst and could produce both enantiomers using toluene or 1,2‐DCE as the solvents. Eyring plot analysis revealed that enthalpy‐entropy compensation dominates this reaction. DFT calculation used to probe compare R ‐ S ‐selective pathways. magnified image
Abstract Developing efficient and anti‐corrosive oxygen reduction reaction (ORR) catalysts is of great importance for the applications proton exchange membrane fuel cells (PEMFCs). Herein, we report a novel approach to prepare metal oxides supported intermetallic Pt alloy nanoparticles (NPs) via reactive metal‐support interaction (RMSI) as ORR catalysts, using Ni‐doped cubic ZrO 2 (Ni/ZrO ) L1 0 −PtNi NPs proof concept. Benefiting from Ni migration during RMSI, vacancy concentrations in...
We reported a one-pot enantioselective three-component vinylogous Michael/aldol tandem reaction of prochiral 3-alkylidene oxindoles with methyleneindolinones and aldehydes using bifunctional organocatalysts. A variety enantioenriched 3,3-disubstituted 3 spirolactones 4 were generated in moderate yields (up to 78%) high stereoselectivities >20:1 dr, >99% ee). Intriguingly, we observed that the aldol paraformaldehyde generates bearing hydroxymethyl group, while aliphatic 4.
In this paper, a series of biodegradable-electroactive polymers (BEP) and its composite with gold nanoparticles (BEP-Au) were prepared used in the detection H 2 S gas.First, starting materials which included electroactive aniline tetramer (ACAT) biodegradable polylactic acid (PLA) synthesized characterized.The BEP was then by reacting tri-isocyanate (N-3300) ACAT PLA at specific feeding ratio.In case, served as pendant group.The BEP-Au subsequently immersing amount certain concentration...