* Corresponding author

† Co-first author (equally participated)

[30] Determining the role of Pt–Ni in the hydroprocessing reaction of long-chain hydrocarbons over Pt–Ni–zeolite catalysts

Byeon, E., Lee, J., Song, H., Balla, P., Park, J., Chun, H.-J.*, Kim, D.-K.*, Kim, S.* 

Fuel (2026.11.15.),  424, 139352. DOI

[29] Laser-engineered Ag/Ag oxide interfaces for tunable CO2 reduction: Mechanistic insights from experiment and theory 

Kim, S. Y.†, Lee, C.-H.†, Yoon, I., Rhee, C. K., Chun, H.-J.*, Sohn, Y.* 

Materials Today Energy (2026.07.01.), 59, 102298. DOI

[28] Role of Na in promoting n-butanol production via CO2 hydrogenation over a Cu–Co catalyst

Irshad, M., Jo, H., Bibi, S. S., Kim, S. K., Chun, H.-J.*, Kim, J.* 

Chemical Engineering Journal (2025.09.01.), 519, 165184. DOI

[27] Effect of Sodium Promotion on Zinc-Ferrite Catalysts for CO and CO2 Co-Conversion: Insights from In Situ and Theoretical Studies

Abdullaev, M., Park, G., Kim, N. S., Lee, J.-J., Yun, Y. S., Shin, J. H., Chun, H.-J.*, Kim, Y. T.* 

Fuel Processing Technology (2025.08.01.), 273, 108232. DOI

[26] Data-driven framework based on machine learning and optimization algorithms to predict oxide-zeolite-based composite and reaction conditions for syngas-to-olefin conversion

Abdullaev, M., Jeon, W., Kang, Y., Noh, J., Shin, J. H., Chun, H.-J.*, Kim, H. W.*, Kim, Y. T.* 

Chinese Journal of Catalysis (2025.07.01.), 74(7), 211. DOI

[25] Tandem reductive hydroformylation: A mechanism for selective synthesis of straight-chain α-alcohols by CO2 hydrogenation

Irshad, M., Jo, H., Ahmed, S., Yoon, W., Kim, S. K., Chun, H.-J.*, Kim, J.*

Applied Catalysis B: Environment and Energy (2025.05.15.), 365, 124978. DOI

[24] Defect Engineered Ru–CoMOF@MoS2 Heterointerface Facilitate Water Oxidation Process

Banti, B. F., Goddati, M., Nwaji, N.*, Gwak, J., Gichad, B. B., Kang, H., Chun, H.-J.*, Lee, J.*

ChemSusChem (2024.12.29.), e202402533. DOI

[23] Structural evolution of cobalt for the production of long-chain paraffins by CO2 hydrogenation

Jo, H.†, Chun, H.-J.†,  Sugiarto, J., Khan, M. K., Irshad, M., Yoon, W., Kim, S. K.*, Kim, J.* 

Applied Catalysis B: Environment and Energy (2024.12.15.), 359, 124457. DOI

[22] Crystal Phase and B-Content Dependent Electrochemical Behavior of Pd–B Nanocrystals toward Oxygen Reduction Reaction

Wahidah, H.†, Chun, H.-J.†, Kim, W. H., Kim, T. W., Kim, S. K.*, Hong, J. W.* 

Small (2024.11.07.), 20, 2402271. DOI

[21] Synergistic doping of iron and selenium on nickel hydroxide nitrate nanoarrays-derived as an efficient electrocatalyst for overall water splitting

Le, H. T.†, Chun, H.-J.†, Kwon, Y. J., Ham, M. J., Kim, S. K.*, Jeong, Y. K.* 

Applied Surface Science (2024.10.30.), 671, 160657. DOI

[20] Critical interplay between ruthenium oxide and water for the catalytic conversion of lignin to sustainable aviation fuel

Verma, D.†, Chun, H.-J.†, Karanwal, N., Choi, J., Oh, S., Kim, S. M., Kim, S. K.*, Kim, J.*

Chemical Engineering Journal (2024.06.15.), 490, 151420. DOI

[19] Solvation Enthalpy Determination for Aqueous-Phase Reaction Adsorbates Using Ab Initio Molecular Dynamics-Based Structure Sampling

Chun, H.-J.†, Morankar, A.†, Zeng, Z.*, Greeley, J.* 

The Journal of Physical Chemistry C (2024.02.01.), 128(4), 1621-1632. DOI

[18] Theoretical investigation of solvation and inter-chain interactions for phosphate ester dispersants on tetragonal BaTiO3 (001) in non-aqueous solvents: An ab initio molecular dynamics simulation approach

Chun, H.-J.*, Kim, I., Park, J., Ha, G.*

Applied Surface Science (2024.01.15.), 643, 158645. DOI

[17] Elucidation of polyethylene glycol adsorption at the solid–H2O(l) interfaces of anatase TiO2(101) using density functional theory and molecular dynamics simulations

Chun, H.-J.†*, Kim, K.†, Ha, G.* 

Journal of Materials Chemistry A (2024.01.14.), 12, 932-942. DOI

[16] Synthesis of n-butanol-rich C3+ alcohols by direct CO2 hydrogenation over a stable Cu–Co tandem catalyst

Irshad, M.†, Chun, H.-J.†, Khan, M. K., Jo, H., Kim, S. K.*, Kim, J.*

Applied Catalysis B: Environment and Energy (2024.01.01.), 340, 123201. DOI

[15] Electronic vs. geometric effects of Al2O3-supported Ru species on the adsorption of H2 and substrate for aromatic LOHC hydrogenation

Kim, T. W.†, Chun, H.-J.†, Jo, Y., Kim, D., Ko, H., Kim, S. H., Kim, S. K.*, Suh, Y.-W.*

Journal of Catalysis (2023.12.01.), 428, 115178. DOI

[14] Facet-Dependent Ba Dissolution of Tetragonal BaTiO3 Single Crystal Surfaces

Chun, H.-J., Jeon, J. E., Park, S. C.* 

The Journal of Physical Chemistry C (2023.01.19.), 127(4), 1848-1854. DOI

[13] Selective olefin production on silica based iron catalysts in Fischer-Tropsch synthesis

Lee, S., Seo, J. C., Chun, H.-J.*, Yang, S., Sim, E. H., Lee, J.*, Kim, Y. T.* 

Catalysis Science & Technology (2022.10.07.), 12(19), 5814-5828. DOI

[12] Surface Termination of BaTiO3(111) Single Crystal: A Combined DFT and XPS Study

Chun, H.-J.*, Lee, Y., Kim, S., Yoon, Y., Kim, Y., Park, S. C.* 

Applied Surface Science (2022.03.15.), 578, 152018-152027. DOI

[11] Theoretical Study of CO Adsorption and Activation on Orthorhombic Fe7C3 (001) Surfaces for Fischer-Tropsch Synthesis Using Density Functional Theory Calculations

Chun, H.-J.*, Kim, Y. T.* 

Energies (2021.01.22.), 14(3), 563-576. DOI

[10] DFT Insights into NO Electrochemical Reduction: A Case Study of Pt(211) and Cu(211) Surfaces

Chun, H.-J., Zeng, Z.*, Greeley, J.*  

ACS Catalysis (2022.01.10.), 12(2), 1394-1402. DOI

[9] First-principles investigation of phosphate ester and carboxylic acid on BaTiO3 surfaces with stoichiometric terminations

Chun, H.-J., Kim, H. K., Yoon, Y., Park, S. C.* 

Surface Science (2021.01.01.), 703, 121737-121745. DOI

[8] Direct Demonstration of Unified Brønsted-Evans-Polanyi Relationships for Proton-Coupled Electron Transfer Reactions on Transition Metal Surfaces

Chun, H.-J., Zeng, Z.*, Greeley, J.* 

Journal of The Electrochemical Society (2020.12.29.),167(16), 166516-166522. DOI

[7] Comparative study of olefin production from CO and CO2 using Na-and K-promoted zinc ferrite

Yang, S., Chun, H.-J., Lee, S., Han, S. J., Lee, K. Y.*, Kim, Y. T.* 

ACS Catalysis (2020.09.18.), 10(18), 10742-10759. DOI

[6] Atomistic insights into nitrogen-cycle electrochemistry: a combined DFT and kinetic Monte Carlo analysis of NO electrochemical reduction on Pt (100)

Chun, H.-J.†, Apaja, V.†, Clayborne, A., Honkala, K., Greeley, J.* 

ACS Catalysis (2017.04.17.), 7(6), 3869-3882. DOI

[5] Elucidation of pathways for NO electroreduction on Pt(111) from first principles

Clayborne, A.†, Chun, H.-J.†, Rankin, R. B., Greeley, J.* 

Angewandte Chemie International Edition  [inside back cover] (2015.06.10.), 127(28), 8373-8376. DOI

[4] Preparation of Pt nanoparticles on carbon support using modified polyol reduction for low-temperature fuel cells 

Lee, W.-D., Lim, D.-H., Chun, H.-J., Lee, H.-I.*

International Journal of Hydrogen Energy (2012.09.01.), 37(17), 12629-12638. DOI

[3] A synthesis of CO-tolerant Nb2O5-promoted Pt/C catalyst for direct methanol fuel cell; its physical and electrochemical characterization

Chun, H.-J., Kim, D. B., Lim, D.-H., Lee, W.-D., Lee, H.-I.* 

International Journal of Hydrogen Energy (2010.06.01.), 35(12), 6399-6408. DOI

[2] Nitrogen-containing graphitized carbon support for methanol oxidation Pt catalyst

Kim, D. B., Lim, D.-H., Chun, H.-J., Kwon, H.-H., Lee, H.-I.* 

Carbon (2010.03.01.), 48(3), 673-679. DOI

[1] Preparation of Pt/NiO–C electrocatalyst and heat-treatment effect on its electrocatalytic performance for methanol oxidation

Kim, D. B., Chun, H.-J., Lee, Y. K., Kwon, H.-H., Lee, H.-I.* 

International Journal of Hydrogen Energy (2010.01.01.), 35(1), 313-320. DOI