A5054768027- Catalytic Processes in Materials Science
- Electrocatalysts for Energy Conversion
- Advanced Photocatalysis Techniques
- Catalysis and Hydrodesulfurization Studies
- Catalysis for Biomass Conversion
- High Entropy Alloys Studies
- Advanced battery technologies research
- Catalysis and Oxidation Reactions
- Catalysts for Methane Reforming
- Machine Learning in Materials Science
- Hydrogen Storage and Materials
- Advanced Memory and Neural Computing
- Ammonia Synthesis and Nitrogen Reduction
- Carbon dioxide utilization in catalysis
- Zeolite Catalysis and Synthesis
- Free Radicals and Antioxidants
- Advanced Materials Characterization Techniques
- Perovskite Materials and Applications
- Spectroscopy and Quantum Chemical Studies
- Photochemistry and Electron Transfer Studies
- biodegradable polymer synthesis and properties
- TiO2 Photocatalysis and Solar Cells
- Carbon Dioxide Capture Technologies
- Supercapacitor Materials and Fabrication
- Additive Manufacturing Materials and Processes
Chulalongkorn University
2020-2024
Systématique, adaptation, évolution
2022-2024
Chiang Mai University
2015-2019
National Nanotechnology Center
2019
National Science and Technology Development Agency
2019
Hydrogen energy is a sustainable and clean source that can meet global demands without adverse environmental impacts. High-entropy oxides (HEOs), multielement (5 or more) with an equiatomic near-equatomic elemental composition, offer novel approach to designing bifunctional electrocatalysts. This work explores (ZnNiCoFeY)xOy over MoS2 as electrocatalyst (HEO-MoS2) in alkaline medium. The HEO was synthesized using combustion process loaded ultrasonic method. exhibits excellent performance,...
Here, propane dehydrogenation (PDH) to propylene and side reactions, namely, cracking deep on Ni(111) surface, have been theoretically investigated by density functional theory calculation. On the basis of adsorption energies, is physisorbed whereas exhibits chemisorption supported electronic charge results. In PDH reaction, possible pathways can occur via two intermediates, i.e., 1-propyl 2-propyl. Our results suggest that reaction through intermediate both kinetically thermodynamically...
This work introduced the high-throughput phase prediction of PtPd-based high-entropy alloys via algorithm based on a combined Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) and artificial neural network (ANN) technique. As first step, KKR-CPA was employed to generate 2,720 data formation energy lattice parameters in framework first-principles density functional theory. Following generation, 15 features were selected verified for all HEA systems each (FCC BCC) ANN. The...
The analysis via density functional theory was employed to understand high photocatalytic activity found on the Au-Ag high-noble alloys catalysts supported rutile TiO
The oxygen evolution reaction (OER) is a vital half-reaction in many applications, such as the electrochemical H2O splitting, CO2, and N2 conversion processes. OER involves four-electron transfer kinetically sluggish that requires additional potential to drive. To enhance performance of above-mentioned highly efficient, corrosion-resistant, earth-abundant, eco-friendly electrocatalysts are required. Here, we report porous, minimally Ru-doped copper phosphate electrocatalyst obtained through...
The catalytic performance with high conversion and selectivity of Ti-based oxide catalysts have been widely investigated. Besides, stability, which is an essential parameter in the industrial process, lacked fundamental understanding. In this work, we combined computational experimental techniques to provide insight into deactivation P25 TS-1 during methyl oleate (MO) epoxidation. considered mechanisms are fouling surface oxygen vacancy (OV). causes temporary catalyst through active site...
The effect of Sn promoter on a Ni/γ-Al<sub>2</sub>O<sub>3</sub> catalyst towards the deoxygenation stearic acid has been investigated.
Abstract The effects of B‐site substitution (B═Mn, Fe, and Co) in La‐based perovskite oxides (LPOs); LaMnO 3 , LaFeO LaCoO as bifunctional electrocatalysts during oxygen reduction reaction (ORR) evolution (OER) metal–air batteries (MABs) under an alkaline electrolyte (pH = 13) are investigated using density functional theory (DFT). It is found that exhibits higher ORR activity than others with overpotential ( η ) 0.57 V, but its OER poor 1.12 V. (0.59 V) (1.13 LaMn 0.75 Fe 0.25 O closely...
Abstract The water‐gas shift reaction (WGSR) is employed in industry to obtain high‐purity H 2 from syngas, where O adsorption an important step that controls dissociation WGSR. Therefore, exploring catalysts exhibiting strong energy ( E ads ) crucial. Also, high‐entropy alloys (HEA) are promising materials utilized as catalysts, including PtPd‐based HEA explored via density functional theory (DFT) and Gaussian process regression. input features based on the microstructure data electronic...
Abstract Global warming remains one of the greatest challenges. One most prominent solutions is to close carbon cycle by utilizing greenhouse gas: CO 2, and CH 4 , as a feedstock via dry reforming methane (DRM). This work provided an insight into how NiCo bimetallic catalyst can perform with high stability against coking during DRM compared Ni Co monometallic catalysts, in which experimental computational techniques based on density functional theory were performed. It was found that surface...