Understanding the Hydrated Proton at the Electrode–Electrolyte Interface MM Kim, WA Goddard III, SJ Shin, H Kim Electrochimica Acta, 148475 , 2026 2026
Electric Double Layer Charging, a New Framework for Optimizing Electrocatalyst Design and Performance MM Kim, CH Choi, H Kim ACS Energy Letters 11 (3), 2499-2507 , 2026 2026
Precise synthesis of non-equilibrium rotaxanes via pumping in water G Wu, J Park, WG Liu, Y Jiao, L Zhang, H Han, C Tang, T Jang, MM Kim, ... Chem , 2026 2026
Electrowetting-driven capacitance enhancement dependent on charge carrier and nanopore size E Lee, J Lee, DH Kang, JC Hyun, CY Kim, J Kim, S Ha, MM Kim, BS Youn, ... eScience Energy, 100006 , 2025 2025
Molecular Dynamics-Based Optimization of Glyme Electrolytes J Park, WA Goddard III, H Kim The Journal of Physical Chemistry B 129 (47), 12285-12293 , 2025 2025 Citations: 2
Deciphering Charge Transfer and Hydrogen Bonding Characteristics from Liquid Water XAS Spectra A Segalina, T Jang, MM Kim, H Ihee, JW Park, WA Goddard III, H Kim Journal of Chemical Theory and Computation 21 (22), 11679-11686 , 2025 2025 Citations: 1
Semiclassical Multistate Quantum Dynamics Using Thermalized Gaussian Wavepacket Y Son, Y Choi, OV Prezhdo, H Kim Journal of Chemical Theory and Computation 21 (19), 9772-9783 , 2025 2025
Ion Speciation and Mobility in Solid Polymer Electrolytes: Insights from Molecular Dynamics Simulations J Park, WJ Kim, WA Goddard III, EK Lee, H Kim The Journal of Physical Chemistry Letters 16 (28), 7242-7248 , 2025 2025 Citations: 5
Investigating the Nature of PRM: SH3 Interactions Using Artificial Intelligence and Molecular Dynamics SJ Kim, DE Hwang, H Kim, JM Choi Journal of Chemical Information and Modeling 65 (11), 5662-5671 , 2025 2025
Design Guidelines to Control Rippled β-Sheets versus Pleated β-Sheets in Mixed-Chirality Peptides H Lee, A Hazari, JA Raskatov, H Kim, WA Goddard III Journal of the American Chemical Society 147 (21), 17642-17650 , 2025 2025 Citations: 4
Space Charge, Modulating the Catalytic Activity of Single-Atom Metal Catalysts H Choi, SJ Shin, G Bae, J Cho, MH Han, MT Sougrati, F Jaouen, KS Lee, ... Journal of the American Chemical Society 147 (16), 13220-13228 , 2025 2025 Citations: 8
DFT-CES2: Quantum Mechanics Based Embedding for Mean-Field QM/MM of Solid–Liquid Interfaces T Jang, SJ Shin, HK Lim, WA Goddard III, H Kim JACS Au 5 (4), 2047-2058 , 2025 2025 Citations: 5
Kernel-Based Modeling of Electron-Density Polarization at Metal–Liquid Interfaces J An, HK Lim, H Kim Journal of Chemical Theory and Computation 21 (8), 4134-4141 , 2025 2025 Citations: 1
Synergistic Effects of Co–N 4 and Ni–N 4 Sites in 2D Conductive Metal–Organic Framework Electrocatalysts for Enhanced Oxygen Reduction Reaction Performance SM Jung, S Kim, J An, KS Kim, M Kim, J Kwon, H Kim, YT Kim, SS Park ACS Catalysis 15 (7), 5568-5576 , 2025 2025 Citations: 17
Switching Methane Selectivity in Carbon Dioxide Electroreduction via Confining Copper (I) Oxide Nanocubes by Polyimine Shells JY Jung, J Lee, Y Kim, D Shin, J Park, S Kim, HR Byon, H Kim, H Song ACS Catalysis 15 (3), 2642-2653 , 2025 2025 Citations: 6
Cation Effect on the Electrochemical Platinum Dissolution H Kim, MM Kim, J Cho, S Lee, DH Kim, SJ Shin, T Utsunomiya, ... Journal of the American Chemical Society 147 (5), 4667-4674 , 2025 2025 Citations: 18
The effect of two critical operating factors on the enhanced catalytic conversion of aqueous NO3–to NH4+ by Pt-Co@ NC and theoretical verification of its surface reaction mechanism N Nurlan, J Jeong, M Nurmyrza, H Kim, H Shin, W Lee Chemical Engineering Journal 506, 159874 , 2025 2025 Citations: 3
Formation of rippled β-sheets from mixed chirality linear and cyclic peptides—new structural motifs based on the pauling-corey rippled β-sheet A Hazari, MR Sawaya, H Lee, M Sajimon, H Kim, WA Goddard III, ... Chemical Science 16 (14), 5907-5917 , 2025 2025 Citations: 7
Self-assembly-assisted dynamic placement of noble metals selectively on multifunctional carbide supports for alkaline hydrogen electrocatalysis S Kim, SJ Shin, H Kim, B Kim, N Noh, KS Lee, J Park, H Jun, J Kim, ... Energy & Environmental Science 18 (2), 659-673 , 2025 2025 Citations: 5
Spatiotemporal active phase evolution for CO2 electrocatalysis J Kim, SY Lee, SJ Kim, B Koo, J Chung, D Lee, S Choi, J Kim, S Seo, ... Joule 8 (12), 3373-3385 , 2024 2024 Citations: 15
MOST CITED SCHOLAR PUBLICATIONS
Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst CH Choi, M Kim, HC Kwon, SJ Cho, S Yun, HT Kim, KJJ Mayrhofer, H Kim, ... Nature communications 7, 10922 , 2016 2016 Citations: 918
Strengthening effect of single-atomic-layer graphene in metal–graphene nanolayered composites Y Kim, J Lee, MS Yeom, JW Shin, H Kim, Y Cui, JW Kysar, J Hone, Y Jung, ... Nature communications 4 , 2013 2013 Citations: 878
Achieving Selective and Efficient Electrocatalytic Activity for CO2 Reduction Using Immobilized Silver Nanoparticles C Kim, HS Jeon, T Eom, MS Jee, H Kim, CM Friend, BK Min, YJ Hwang Journal of the American Chemical Society 137 (43), 13844-13850 , 2015 2015 Citations: 764
Reversible and cooperative photoactivation of single-atom Cu/TiO 2 photocatalysts BH Lee, S Park, M Kim, AK Sinha, SC Lee, E Jung, WJ Chang, KS Lee, ... Nature materials 18 (6), 620-626 , 2019 2019 Citations: 762
The Achilles' heel of iron-based catalysts during oxygen reduction in an acidic medium CH Choi, HK Lim, MW Chung, G Chon, NR Sahraie, A Altin, MT Sougrati, ... Energy & Environmental Science 11 (11), 3176-3182 , 2018 2018 Citations: 505
Redirecting dynamic surface restructuring of a layered transition metal oxide catalyst for superior water oxidation J Wang, SJ Kim, J Liu, Y Gao, S Choi, J Han, H Shin, S Jo, J Kim, F Ciucci, ... Nature Catalysis 4 (3), 212-222 , 2021 2021 Citations: 480
Structural characterization of drug-like compounds by ion mobility mass spectrometry: comparison of theoretical and experimentally derived nitrogen collision cross sections I Campuzano, MF Bush, CV Robinson, C Beaumont, K Richardson, H Kim, ... Analytical chemistry 84 (2), 1026-1033 , 2012 2012 Citations: 479
Time-resolved observation of C–C coupling intermediates on Cu electrodes for selective electrochemical CO 2 reduction Y Kim, S Park, SJ Shin, W Choi, BK Min, H Kim, W Kim, YJ Hwang Energy & Environmental Science 13 (11), 4301-4311 , 2020 2020 Citations: 430
Highly Efficient, Selective, and Stable CO 2 Electroreduction on a Hexagonal Zn Catalyst DH Won, H Shin, J Koh, J Chung, HS Lee, H Kim, SI Woo Angewandte Chemie 128 (32), 9443-9446 , 2016 2016 Citations: 411
Electronic− Mechanical Coupling in Graphene from in situ Nanoindentation Experiments and Multiscale Atomistic Simulations M Huang, TA Pascal, H Kim, WA Goddard III, JR Greer Nano letters 11 (3), 1241-1246 , 2011 2011 Citations: 406
Toward a Lithium–“Air” Battery: The Effect of CO2 on the Chemistry of a Lithium–Oxygen Cell HK Lim, HD Lim, KY Park, DH Seo, H Gwon, J Hong, WA Goddard III, ... Journal of the American Chemical Society 135 (26), 9733-9742 , 2013 2013 Citations: 400
Dye-Sensitized MoS2 Photodetector with Enhanced Spectral Photoresponse SH Yu, Y Lee, SK Jang, J Kang, J Jeon, C Lee, JY Lee, H Kim, E Hwang, ... ACS nano 8 (8), 8285-8291 , 2014 2014 Citations: 371
Hydrogen Peroxide Synthesis via Enhanced Two-Electron Oxygen Reduction Pathway on Carbon-Coated Pt Surface CH Choi, HC Kwon, S Yook, H Shin, H Kim, M Choi The Journal of Physical Chemistry C 118 (51), 30063-30070 , 2014 2014 Citations: 364
Facile CO 2 Electro-Reduction to Formate via Oxygen Bidentate Intermediate Stabilized by High-Index Planes of Bi Dendrite Catalyst JH Koh, DH Won, T Eom, NK Kim, KD Jung, H Kim, YJ Hwang, BK Min ACS Catalysis 7 (8), 5071-5077 , 2017 2017 Citations: 356
On the importance of the electric double layer structure in aqueous electrocatalysis SJ Shin, DH Kim, G Bae, S Ringe, H Choi, HK Lim, CH Choi, H Kim Nature communications 13 (1), 174 , 2022 2022 Citations: 332
Effect of NaBH 4 on properties of nanoscale zero-valent iron and its catalytic activity for reduction of p-nitrophenol S Bae, S Gim, H Kim, K Hanna Applied Catalysis B: Environmental 182, 541-549 , 2016 2016 Citations: 305
Nitrite Reduction Mechanism on a Pd Surface H Shin, S Jung, S Bae, W Lee, H Kim Environmental science & technology 48 (21), 12768-12774 , 2014 2014 Citations: 282
Insight into Electrochemical CO 2 Reduction on Surface-Molecule-Mediated Ag Nanoparticles C Kim, T Eom, MS Jee, H Jung, H Kim, BK Min, YJ Hwang ACS Catalysis 7 (1), 779-785 , 2017 2017 Citations: 281
Maximizing the catalytic function of hydrogen spillover in platinum-encapsulated aluminosilicates with controlled nanostructures J Im, H Shin, H Jang, H Kim, M Choi Nature communications 5, 3370 , 2014 2014 Citations: 280
Long-Range Electron Transfer over Graphene-Based Catalyst for High-Performing Oxygen Reduction Reactions: Importance of Size, N-doping, and Metallic Impurities CH Choi, HK Lim, MW Chung, JC Park, H Shin, H Kim, SI Woo Journal of the American Chemical Society 136 (25), 9070-9077 , 2014 2014 Citations: 276
