№ files_lp_4_process_3_079844
Presentation of computational studies on heterogeneous catalysis exploring electrocatalytic and thermal reactions, catalyst structures, and solvent interactions using Density Functional Theory and ab initio molecular dynamics.
Year: 2026
Region / Institution: Chungnam National University, Daejeon, Republic of Korea
Subject: Heterogeneous catalysis, Electrocatalysis, Computational chemistry
Document type: Research lecture / Presentation
Author: Hee-Joon Chun
Department: Department of Chemistry
Target audience: Researchers and students in chemistry and materials science
Methods: Density Functional Theory, Ab initio molecular dynamics simulations
Catalysts studied: Bimetals, metal oxides, carbides, graphite
Reactions discussed: NO electrochemical reduction, CO2 hydrogenation to 1-butanol
Materials analyzed: BaTiO3, TiO2
Focus: Computational design of catalytic structures and reaction environment analysis
Price: 8 / 10 USD
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