About Geun Ho
Team
Research
Openings
Publications
News&Gallery
Contact
2
Thermochemistry of Gas-phase and Surface Species via LASSO-assisted Subgraph Selection
Graph theory-based regression techniques, such as group additivity, have widely been implemented for fast estimation of thermochemistry …
Geun Ho Gu
,
Petr Plechac
,
Dionisios G. Vlachos
DOI
Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111)
Despite progress in theoretical tools, the influence of solvation in heterogeneous catalysis remains poorly understood and predicted …
Geun Ho Gu
,
Benjamin Schweitzer
,
Carine Michel
,
Stephan N. Steinmann
,
Philippe Sautet
,
Dionisios G. Vlachos
DOI
Group Additivity for Thermochemical Property Estimation of Lignin Monomers on Pt(111)
Conversion of biomass has received considerable attention, but theoretical investigation is challenging due to the large computational …
Geun Ho Gu
,
Dionisios G. Vlachos
DOI
Mechanism of Dehydration of Phenols on Noble Metals via First-Principles Microkinetic Modeling
Phenolic compounds constitute a sizable fraction of depolymerized biomass and are an ideal feedstock for the production of chemicals …
Geun Ho Gu
,
Charles A. Mullen
,
Akwasi A. Boateng
,
Dionisios G. Vlachos
DOI
Guaiacol Hydrodeoxygenation Mechanism on Pt(111): Insights from Density Functional Theory and Linear Free Energy Relations
Density functional theory is used to study the adsorption of guaiacol and its initial hydrodeoxygenation reactions on Pt(111). Catechol …
Kyungtae Lee
,
Geun Ho Gu
,
Charles A. Mullen
,
Akwasi A. Boateng
,
Dionisios G. Vlachos
DOI
Tailoring electrode hydrophobicity to improve anode performance in alkaline media
Limitations in anode performance have been a major obstacle to widespread alkaline fuel cell usage. In contrast to water management in …
Matt S.Naughton
,
Geun Ho Gu
,
Akash A. Moradia
,
Paul J.A.Kenis
DOI
«
Cite
×
