Selected Publications
S. G. Akpe†, J. H. Han†, Y. Kim†, Y. Kim, H. J. Lee, S.J. Yon, J. Kang, E. S. Yoo, S.W. Hwang, H. Sohn*, S. H. Choi*, and H. C. Ham* , “Rational Design of Bimetallic Pt3M (M = transition metals) catalyst for Hydrogen Production via Ethylene Glycol Decomposition: Combined Machine Learning, Density Functional Theory, and Experimental Approach”, ACS Catalysis, accepted (2025) [IF: 13.1]
S. Shin#, E. Lee#, J. Nam, J. Kwon, Y. Choi, B J. Kim, H. C. Ham*, H. Lee*, “Carbon-Embedded Pt Alloy Cluster Catalysts with High Activity and Durability for Proton Exchange Membrane Fuel Cells”, Advanced Energy Materials, 14 (29), 2400599 (2024)
S. Kamalakannana#, E. Kim#, D. K. Kim*, H. J. Kim* and H.C. Ham*, “Engineering the band gap of g-C3N4 Catalyst by the incorporation of organic acid for Efficient Bio-Diesel Production”, Journal of Physical Chemistry C, accepted (2024)
M.–G. Kim#, H. J. Lee#,T. K. Lee, E. Lee, H. Jin, J.–H. Park, S. Y. Cho, S. Lee, H. C. Ham*, and S. J. Yoo*, “Iridium Selenium Oxyhydroxide Shell for Polymer Electrolyte Membrane Water Electrolyzer with Low Ir Loading”, ACS Energy Letter, 9 (6), 2876-2884 (2024)
L. T. Do#, H. W. Cha#, J-W. Choi, D. J. Suh, C.-J. Yoo, H. Lee, K. H. Kim, C. S. Kim, K. Kim, H. C. Ham*, J.-M. Ha*, “Adsorbed oxygen atoms for improving the oxidative dehydrogenation of ethane over B-site-doped layered perovskite La2Ti2O7”, Chemical Engineering Journal, 481, 148554, (2024)
H. C., Song and H.C. Ham*, “Engineering MXene Support to Boost the Activity and Stability of Single and Double Atom Catalysts toward Electrochemical NH3 Production via N2 Reduction”, Chemical Engineering Journal, 470, 144243 (2023)
S.-H. Kim, H. C. Song, S.J. Yoo, J. Han*, K.-Y. Lee* and H. C. Ham*, “Impact of Ligand-induced Ensemble Structure of Hetero Double Atom Catalysts in Electrochemical NH3 Production”, Journal of Materials Chemistry A, 10, 6216-6230 (2022)
E. Lee, S. H. Choi and H.C. Ham*, “First-principles Design of Hetero CoM (M=3d,4d, 5d Block Metals) Double Atom Catalysts for Oxygen Evolution Reaction”, Nanoscale Advances, 4(13), 2913-2921 (2022)
S. G. Akpe, S. H. Choi and H.C. Ham*, “Conversion of Cyclic Xylose into Xylitol on the Ru, Pt, Pd, Ni, and Rh Catalysts: A Density Functional Theory Study”, Physical Chemistry Chemical Physics (PCCP), 23 (46), 26195-26208 (2021) (2021 HOT PCCP article selected by Editors)
D.Y. Jo, H. C. Ham* and K. Y. Lee*, “Facet-dependent Electrocatalysis in the HCOOH Synthesis from CO2 Reduction on Cu catalyst: A Density Functional Theory Study”, Applied Surface Science, 527, 15, 146857 (2020)
D.Y. Jo, H. C. Ham* and K. Y. Lee*, “Role of the Zn atomic arrangements in Enhancing the Activity and Stability of the Kinked Cu(211) site in CH3OH Production by CO2 Hydrogenation and Dissociation: First-principles Microkinetic Modeling Study”, Journal of Catalysis, 373, 336-350 (2019)
S. Lim, J.-W Choi, D.-J. Seo, S. H. Song, H. C. Ham*, and J. -M Ha*, “Combined experimental and density functional theory (DFT) studies on the catalyst design for the oxidative coupling of methane”, Journal of Catalysis, 375, 478-492 (2019)
J. Cho, I. Chang, H. S. Park, S. H. Choi, J. H. Jang, H.-J. Kim, S.P. Yoon, S. J. Yoo*, and H. C. Ham*, “Computational and Experimental Design of Active and Durable Ir-based Nanoalloy for Electrochemical Oxygen Reduction Reaction”, Applied Catalysis B: Environmental, 234, 177-185 (2018)
J. Cho, S. Lee, J. Han, S.P. Yoon, S. W. Nam, K. Y. Lee and H.C. Ham*, “Role of Heteronuclear Interactions in Selective H2 Formation from HCOOH Decomposition on Pd/M (M=Late Transition FCC Metals) Catalysts”, ACS Catalysis, 7, 2553-2562 (2017)
S. Lee, J. Cho, J. H. Jang, J. Han, S. W. Nam, S.P. Yoon, T. H. Lim and H. C. Ham*, “Impact of d-band Occupancy and Lattice Contraction on Selective Hydrogen Production from Formic Acid in the Bimetallic Pd-M(early-transition metal) Catalyst”, ACS Catalysis, 6(1), 134-142 (2016)
C.-E. Kim, D.-H. Lim, J.H. Jang, S.P. Yoon, H.-J. Kim, S. W. Nam, S-. A. Hong, A. Soon* and H.C. Ham*, “Effect of Gold Subsurface Layer on the Surface Activity and Segregation in Pt3M Alloy Catalyst from First-Principles",The Journal of Chemical Physics,142(3), 034707 (2015)
D. H. Lim, H.S. Kim, S.P. Yoon, J. Han, S. W. Nam and H. C. Ham*, “Mechanisms of Enhanced Sulfur Tolerance on Samarium (Sm)-doped Cerium Oxide (CeO2) from First-Principles”, Physical Chemistry Chemical Physics(PCCP), 16 (22), 10727-10733 (2014)
J. Cho, S. Lee, J. Han, S.P. Yoon, S. W. Nam, S.H. Choi, K. Y. Lee and H.C. Ham*, “Importance of Ligand Effect in Enhanced Dehydrogenation of HCOOH on the Bimetallic Pd/Ag Catalyst from First-Principles”, Journal of Physical Chemistry C, 118, 22254-22560 (2014)
H. C. Ham, D. Manogaran, K.H. Lee, K. Kwon, S.-A. Jin, D.J. You, C. Pak, and G.S. Hwang*, “Enhanced Oxygen Reduction Reaction and Its Underlying Mechanism in Pd-Ir-Co Trimetallic Alloys”, The Journal of Chemical Physics - Communications, 139, 201104 (2013)
H. C. Ham, J. A. Stephenson, G. S. Hwang*, J Han, S. W. Nam, and T. H. Lim, “Role of small Pd ensemble in boosting CO oxidation in AuPd alloys”, Journal of Physical Chemistry Letter, 3, 566 (2012)
H. C. Ham, G. S. Hwang*, J. Han, S. W. Nam, and T. H. Lim, “On the Role of Pd Ensembles in Selective H2O2 Formation on AuPd Alloy Surfaces”, Journal of Physical Chemistry C – Letter,113, 12943-12945 (2009)