Patcharaporn Khajondetchairit

King Mongkut's Institute of Technology Ladkrabang — Thailand

Energy · Physical Sciences

13h-index545citations42works8.92yr avg
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Research Topics

Electrocatalysts for Energy Conversion(19), Catalytic Processes in Materials Science(16), Hydrogen Storage and Materials(7), High Entropy Alloys Studies(7), Advanced battery technologies research(7)

Publications42 total

Bridging the Gap in Understanding the Mechanism of NH <sub>3</sub> Formation During NO Reduction by CO in the Presence of H <sub>2</sub> O Over Rh/Al <sub>2</sub> O <sub>3</sub> Catalysts: DFT Study
Advanced Theory and Simulations·2026Open Access
Machine learning-accelerated density functional theory optimization of PtPd-based high-entropy alloys for hydrogen evolution catalysis
International Journal of Minerals Metallurgy and Materials·2025· 2 cited
The development of configurational entropy formulation for high-entropy oxides: Review and outlook
Journal of Alloys and Compounds·2025· 5 cited
Theoretical investigation on the role of external oxygen facilitating oxidative dehydrogenation of hydrogen sulfide on Fe-based oxide catalysts
Fuel·2025· 1 cited
First‐Principles Screening of 3d‐Transition‐Metal‐Doped Hydrous Cobalt Phosphate Catalysts for Enhanced Oxygen Evolution Reaction
Advanced Theory and Simulations·2025· 1 cited
A combined DFT-Experimental study on FSP-made Ru/Ti-SiO2 catalysts for CO2 methanation
Molecular Catalysis·2025· 2 citedOpen Access
Machine-learning-accelerated density functional theory screening of Cu-based high-entropy alloys for carbon dioxide reduction to ethylene
Applied Surface Science·2024· 13 cited
High entropy metal oxide/TiO2 nanocomposite for electrocatalytic overall water splitting
Journal of Alloys and Compounds·2024· 14 cited
Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization
Scientific Reports·2024· 3 citedOpen Access
First-principles and experimental insight of high-entropy materials as electrocatalysts for energy-related applications: Hydrogen evolution, oxygen evolution, and oxygen reduction reactions
Materials Science and Engineering R Reports·2024· 37 citedOpen Access
Enhanced hydrogen adsorption-desorption reversibility found on NiAl alloy: A first-principles study
International Journal of Hydrogen Energy·2024
First‐Principles Investigations on Effects of B‐Site Substitution (B═Mn, Fe, and Co) on La‐Based Perovskite Oxides As Bifunctional Electrocatalysts for Rechargeable Metal–Air Batteries
Advanced Theory and Simulations·2024· 10 citedOpen Access
Electrocatalytic overall water splitting based on (ZnNiCoFeY)xOy high-entropy oxide supported on MoS2
South African Journal of Chemical Engineering·2024· 11 citedOpen Access
Experimental and first-principles insights into an enhanced performance of Ru-doped copper phosphate electrocatalyst during oxygen evolution reaction
South African Journal of Chemical Engineering·2024· 6 citedOpen Access
Integrated experimental and theoretical studies for unravelling CO2 capture of dual function CeO2-CaO bio-based sorbents
Journal of environmental chemical engineering·2024· 6 cited
Pd-loaded hierarchical titanosilicalite-1 catalysts on CO2 cycloaddition with epoxides: Experimental and DFT investigations
Chemosphere·2024· 10 cited
Screening of Cu-Mn-Ni-Zn high-entropy alloy catalysts for CO2 reduction reaction by machine-learning-accelerated density functional theory
Applied Surface Science·2024· 40 cited
How Can the PtPd‐Based High‐Entropy Alloy Triumphs Conventional Twc Catalyst During the NO Reduction? A Density Functional Theory Study (Adv. Theory Simul. 1/2024)
Advanced Theory and Simulations·2024Open Access
The role of metal-doping on the enhanced electrocatalytic properties of α-MnO2 during oxygen reduction reaction
Journal of Energy Storage·2023· 16 citedOpen Access
First‐Principles Active‐Site Model Design for High‐Entropy‐Alloy Catalyst Screening: The Impact of Host Element Selection on Catalytic Properties (Adv. Theory Simul. 11/2023)
Advanced Theory and Simulations·2023· 2 citedOpen Access
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Frequent Co-authors

Meena Rittiruam(35), Tinnakorn Saelee(35), Supareak Praserthdam(34), Piyasan Praserthdam(33), Annop Ektarawong(16), Björn Alling(15), Suwit Suthirakun(9), Jasmin S. Shaikh(9), Victor Márquez(8), Jakapob Noppakhun(8), Sumayya C. Pathan(7), Narong Chanlek(6), Navajsharif S. Shaikh(6), Pussana Hirunsit(5), Pisit Khamloet(4), Chanthip Wangphon(4), Praphatsorn Plerdsranoy(3), Yingyot Poo‐arporn(3), Ittipon Fongkaew(3), Autchara Pangon(3)