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Hyungjun Kim, Ph.D. - Publications

Affiliations: 
Chemistry Korea Advanced Institute of Science and Technology, Daejeon, South Korea 
Area:
Theoretical Chemistry, Multiscale Material Design, Computational Electrochemistry
Website:
https://www.m-design-lab.net/
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127 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Lee H, Yang MY, Raskatov JA, Kim H, Goddard WA. Molecular Dynamics Studies of Atomistically Determined Fibrillar Assemblies: Comparison of the Rippled β-Sheet, Pleated β-Sheet, and Herringbone Structures. The Journal of Physical Chemistry Letters. 4568-4574. PMID 38639377 DOI: 10.1021/acs.jpclett.4c00101  0.414
2024 Kang T, Park J, Jung H, Choi H, Lee SM, Lee N, Lee RG, Kim G, Kim SH, Kim HJ, Yang CW, Jeon J, Kim YH, Lee S. High-κ dielectric (HfO)/2D Semiconductor (HfSe) Gate Stack for Low-Power Steep-switching Computing Devices. Advanced Materials (Deerfield Beach, Fla.). e2312747. PMID 38531112 DOI: 10.1002/adma.202312747  0.408
2024 Park J, Kim WJ, Kim Y, Lee EK, Kim H. Threading Subunits for Polymers to Predict the Equilibrium Ensemble of Solid Polymer Electrolytes. The Journal of Physical Chemistry Letters. 1227-1233. PMID 38277277 DOI: 10.1021/acs.jpclett.3c03486  0.725
2023 Park S, Jang T, Choi S, Lee YH, Cho KH, Lee MY, Seo H, Lim HK, Kim Y, Ryu J, Im SW, Kim MG, Park JS, Kim M, Jin K, ... ... Kim H, et al. Iridium-Cooperated, Symmetry-Broken Manganese Oxide Nanocatalyst for Water Oxidation. Journal of the American Chemical Society. PMID 38047734 DOI: 10.1021/jacs.3c07411  0.667
2023 Lee H, Goddard WA, Cha J, Choi WJ, Noh SH, Shin H, Kim H. Functional Group-Dependent Proton Conductivity of Phosphoric Acid-Doped Ion-Pair Coordinated Polymer Electrolytes: A Molecular Dynamics Study. The Journal of Physical Chemistry. B. 127: 8993-8999. PMID 37793186 DOI: 10.1021/acs.jpcb.3c05690  0.741
2022 Shin SJ, Choi H, Ringe S, Won DH, Oh HS, Kim DH, Lee T, Nam DH, Kim H, Choi CH. A unifying mechanism for cation effect modulating C1 and C2 productions from CO electroreduction. Nature Communications. 13: 5482. PMID 36123326 DOI: 10.1038/s41467-022-33199-8  0.709
2022 Kim SJ, Lebègue S, Ringe S, Kim H. GW Quasiparticle Energies and Bandgaps of Two-Dimensional Materials Immersed in Water. The Journal of Physical Chemistry Letters. 7574-7582. PMID 35948424 DOI: 10.1021/acs.jpclett.2c01808  0.7
2022 Shin SJ, Kim DH, Bae G, Ringe S, Choi H, Lim HK, Choi CH, Kim H. On the importance of the electric double layer structure in aqueous electrocatalysis. Nature Communications. 13: 174. PMID 35013347 DOI: 10.1038/s41467-021-27909-x  0.785
2021 Shin SR, Cho HS, Lee Y, Gim S, Jung YM, Kim H, Terasaki O, Kang JK. Mapping and Local Negative Uptake Behavior of Adsorbates in Individual Pores of Metal-Organic Frameworks. Journal of the American Chemical Society. PMID 34870424 DOI: 10.1021/jacs.1c08809  0.497
2021 Kim SJ, Lebègue S, Kim H, Kim WJ. Assessment and prediction of band edge locations of nitrides using a self-consistent hybrid functional. The Journal of Chemical Physics. 155: 024120. PMID 34266276 DOI: 10.1063/5.0054589  0.744
2021 Cho HS, Tanaka H, Lee Y, Zhang YB, Jiang J, Kim M, Kim H, Kang JK, Terasaki O. Physicochemical Understanding of the Impact of Pore Environment and Species of Adsorbates on Adsorption Behaviour. Angewandte Chemie (International Ed. in English). PMID 34184380 DOI: 10.1002/anie.202107897  0.628
2021 Kim N, Gu TH, Shin D, Jin X, Shin H, Kim MG, Kim H, Hwang SJ. Lattice Engineering to Simultaneously Control the Defect/Stacking Structures of Layered Double Hydroxide Nanosheets to Optimize Their Energy Functionalities. Acs Nano. PMID 33861569 DOI: 10.1021/acsnano.0c09217  0.72
2021 Kim DH, Ringe S, Kim H, Kim S, Kim B, Bae G, Oh HS, Jaouen F, Kim W, Kim H, Choi CH. Selective electrochemical reduction of nitric oxide to hydroxylamine by atomically dispersed iron catalyst. Nature Communications. 12: 1856. PMID 33767159 DOI: 10.1038/s41467-021-22147-7  0.706
2020 Park S, Jin K, Lim HK, Kim J, Cho KH, Choi S, Seo H, Lee MY, Lee YH, Yoon S, Kim M, Kim H, Kim SH, Nam KT. Spectroscopic capture of a low-spin Mn(IV)-oxo species in Ni-MnO nanoparticles during water oxidation catalysis. Nature Communications. 11: 5230. PMID 33067446 DOI: 10.1038/s41467-020-19133-w  0.665
2020 Lee S, Shin SJ, Baek H, Choi Y, Hyun K, Seo M, Kim K, Koh DY, Kim H, Choi M. Dynamic metal-polymer interaction for the design of chemoselective and long-lived hydrogenation catalysts. Science Advances. 6: eabb7369. PMID 32923599 DOI: 10.1126/Sciadv.Abb7369  0.306
2020 Kim JH, Shin D, Lee J, Baek DS, Shin TJ, Kim YT, Jeong HY, Kwak JH, Kim H, Joo SH. A General Strategy to Atomically Dispersed Precious Metal Catalysts for Unravelling Their Catalytic Trends for Oxygen Reduction Reaction. Acs Nano. PMID 31999424 DOI: 10.1021/Acsnano.9B08494  0.341
2020 Kim M, Kim WJ, Gould T, Lee EK, Lebègue S, Kim H. uMBD: A Materials-Ready Dispersion Correction that Uniformly Treats Metallic, Ionic, and van der Waals Bonding. Journal of the American Chemical Society. PMID 31920085 DOI: 10.1021/Jacs.9B11589  0.786
2020 Lee M, Ringe S, Kim H, Kang S, Kwon Y. Electric Field Mediated Selectivity Switching of Electrochemical CO2 Reduction from Formate to CO on Carbon Supported Sn Acs Energy Letters. 5: 2987-2994. DOI: 10.1021/Acsenergylett.0C01387  0.712
2020 Sa YJ, Jung H, Shin D, Jeong HY, Ringe S, Kim H, Hwang YJ, Joo SH. Thermal Transformation of Molecular Ni2+–N4 Sites for Enhanced CO2 Electroreduction Activity Acs Catalysis. 10920-10931. DOI: 10.1021/Acscatal.0C02325  0.72
2020 Cho KJ, Gim S, Lim H, Kim C, Kim H. Water Slippage on Graphitic and Metallic Surfaces: Impact of the Surface Packing Structure and Electron Density Tail The Journal of Physical Chemistry C. 124: 11392-11400. DOI: 10.1021/Acs.Jpcc.0C00854  0.594
2020 Jang I, Im K, Shin H, Lee K, Kim H, Kim J, Yoo SJ. Electron-deficient titanium single-atom electrocatalyst for stable and efficient hydrogen production Nano Energy. 78: 105151. DOI: 10.1016/J.Nanoen.2020.105151  0.752
2020 Kwon NH, Shin S, Jin X, Jung Y, Hwang G, Kim H, Hwang S. Monolayered g-C3N4 nanosheet as an emerging cationic building block for bifunctional 2D superlattice hybrid catalysts with controlled defect structures Applied Catalysis B-Environmental. 277: 119191. DOI: 10.1016/J.Apcatb.2020.119191  0.334
2019 Gim S, Cho KJ, Lim HK, Kim H. Structure, Dynamics, and Wettability of Water at Metal Interfaces. Scientific Reports. 9: 14805. PMID 31616006 DOI: 10.1038/S41598-019-51323-5  0.691
2019 Han MH, Kim WJ, Lee EK, Kim H, Lebegue S, Kozak JJ. Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe16N2 and its alloys: comparison with the other L10 alloys. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31491781 DOI: 10.1088/1361-648X/Ab422C  0.748
2019 Jin X, Park M, Shin SJ, Jo Y, Kim MG, Kim H, Kang YM, Hwang SJ. Synergistic Control of Structural Disorder and Surface Bonding Nature to Optimize the Functionality of Manganese Oxide as an Electrocatalyst and a Cathode for Li-O Batteries. Small (Weinheim An Der Bergstrasse, Germany). e1903265. PMID 31490620 DOI: 10.1002/Smll.201903265  0.349
2019 Lee JS, Yoon JW, Mileo PGM, Cho KH, Park J, Kim K, Kim H, de Lange MF, Kapteijn F, Maurin G, Humphrey SM, Chang JS. The porous metal-organic framework CUK-1 for adsorption heat allocation toward green applications of natural refrigerant water. Acs Applied Materials & Interfaces. PMID 31260240 DOI: 10.1021/Acsami.9B02605  0.317
2019 Ha Y, Kang S, Ham K, Lee J, Kim H. Experimental and DFT-corroborated Optimization of Durable Metal Embedded Carbon Nanofiber for Oxygen Electrocatalysis. The Journal of Physical Chemistry Letters. PMID 31117680 DOI: 10.1021/Acs.Jpclett.9B00927  0.368
2019 Kim TW, Jun S, Ha Y, Yadav RK, Kumar A, Yoo CY, Oh I, Lim HK, Shin JW, Ryoo R, Kim H, Kim J, Baeg JO, Ihee H. Ultrafast charge transfer coupled with lattice phonons in two-dimensional covalent organic frameworks. Nature Communications. 10: 1873. PMID 31015440 DOI: 10.1038/S41467-019-09872-W  0.679
2019 Lee BH, Park S, Kim M, Sinha AK, Lee SC, Jung E, Chang WJ, Lee KS, Kim JH, Cho SP, Kim H, Nam KT, Hyeon T. Reversible and cooperative photoactivation of single-atom Cu/TiO photocatalysts. Nature Materials. PMID 31011217 DOI: 10.1038/S41563-019-0344-1  0.553
2019 Choi YJ, Lamjed D, Lee DK, Park NG, Kim H, Kim D. Light Emission Enhancement by Tuning the Structural Phase of APbBr (A = CHNH, Cs) Perovskites. The Journal of Physical Chemistry Letters. PMID 30978290 DOI: 10.1021/Acs.Jpclett.9B00829  0.301
2019 Kim WJ, Han MH, Lebègue S, Lee EK, Kim H. Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT+ Methods. Frontiers in Chemistry. 7: 47. PMID 30792978 DOI: 10.3389/Fchem.2019.00047  0.765
2019 Lee H, Dehez F, Chipot C, Lim HK, Kim H. Enthalpy-entropy Interplay in π-Stacking Interaction of Benzene Dimer in Water. Journal of Chemical Theory and Computation. PMID 30721623 DOI: 10.1021/Acs.Jctc.8B00880  0.687
2019 Lee CW, Shin S, Jung H, Nguyen DLT, Lee SY, Lee WH, Won DH, Kim MG, Oh H, Jang T, Kim H, Min BK, Hwang YJ. Metal–Oxide Interfaces for Selective Electrochemical C–C Coupling Reactions Acs Energy Letters. 4: 2241-2248. DOI: 10.1021/Acsenergylett.9B01721  0.311
2019 Kim HY, Kim JM, Ha Y, Woo J, Byun A, Shin TJ, Park KH, Jeong HY, Kim H, Kim JY, Joo SH. Activity Origin and Multifunctionality of Pt-Based Intermetallic Nanostructures for Efficient Electrocatalysis Acs Catalysis. 9: 11242-11254. DOI: 10.1021/Acscatal.9B03155  0.349
2019 Jeong S, Kim G, Kang G, Kim C, Lee H, Kim W, Lee YK, Lee S, Kim H, Lim HK, Lee DC. Selectivity Modulated by Surface Ligands on Cu2O/TiO2 Catalysts for Gas-Phase Photocatalytic Reduction of Carbon Dioxide The Journal of Physical Chemistry C. 123: 29184-29191. DOI: 10.1021/Acs.Jpcc.9B05780  0.333
2019 Jeon S, Kim M, Doak PW, Atwater HA, Kim H. Probing Surface Chemistry at an Atomic Level: Decomposition of 1-Propanethiol on GaP(001) (2 × 4) Investigated by STM, XPS, and DFT The Journal of Physical Chemistry C. 123: 2964-2972. DOI: 10.1021/Acs.Jpcc.8B10993  0.526
2019 Son S, Lee JM, Kim SJ, Kim H, Jin X, Wang KK, Kim M, Hwang JW, Choi W, Kim YR, Kim H, Hwang SJ. Understanding the relative efficacies and versatile roles of 2D conductive nanosheets in hybrid-type photocatalyst Applied Catalysis B-Environmental. 257: 117875. DOI: 10.1016/J.Apcatb.2019.117875  0.56
2018 Lee H, Lim HK, Kim H. Hydration Thermodynamics of Non-Polar Aromatic Hydrocarbons: Comparison of Implicit and Explicit Solvation Models. Molecules (Basel, Switzerland). 23. PMID 30423973 DOI: 10.3390/Molecules23112927  0.684
2018 Kwon HC, Kim M, Grote JP, Cho SJ, Chung MW, Kim H, Won DH, Zeradjanin AR, Mayrhofer KJJ, Choi M, Kim H, Choi CH. Carbon Monoxide as a Promoter of Atomically Dispersed Platinum Catalyst in Electrochemical Hydrogen Evolution Reaction. Journal of the American Chemical Society. PMID 30383962 DOI: 10.1021/Jacs.8B09211  0.564
2018 Gu TH, Agyeman DA, Shin SJ, Jin X, Lee JM, Kim H, Kang YM, Hwang SJ. An Effective Chemical Way via Anchoring of Highly Oxidized Cluster toward Superior Electrocatalytic Activity and High Functionality as a Catalyst for Li-O₂ Batteries. Angewandte Chemie (International Ed. in English). PMID 30329196 DOI: 10.1002/Anie.201809205  0.337
2018 Lim J, Shin H, Kim M, Lee H, Lee KS, Kwon Y, Song D, Oh S, Kim H, Cho E. Correction to Ga-Doped Pt-Ni Octahedral Nanoparticles as a Highly Active and Durable Electrocatalyst for Oxygen Reduction Reaction. Nano Letters. PMID 30014701 DOI: 10.1021/acs.nanolett.8b02845  0.7
2018 Lim J, Shin H, Kim M, Lee H, Lee KS, Kwon Y, Song D, Oh S, Kim H, Cho E. Ga-doped Pt-Ni Octahedral Nanoparticles as a Highly Active and Durable Electrocatalyst for Oxygen Reduction Reaction. Nano Letters. PMID 29578723 DOI: 10.1021/Acs.Nanolett.8B00028  0.727
2018 Gim S, Lim HK, Kim H. Multiscale Simulation Method for Quantitative Prediction of Surface Wettability at the Atomistic Level. The Journal of Physical Chemistry Letters. PMID 29558139 DOI: 10.1021/Acs.Jpclett.8B00466  0.69
2018 Claudot J, Kim WJ, Dixit A, Kim H, Gould T, Rocca D, Lebègue S. Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions. The Journal of Chemical Physics. 148: 064112. PMID 29448790 DOI: 10.1063/1.5018818  0.749
2018 Jin X, Shin SJ, Kim J, Lee N, Kim H, Hwang S. Heterolayered 2D nanohybrids of uniformly-stacked transition metal dichalcogenide-transition metal oxide monolayers with improved energy-related functionalities Journal of Materials Chemistry. 6: 15237-15244. DOI: 10.1039/C8Ta04167A  0.36
2018 Choi CH, Lim H, Chung MW, Chon G, Ranjbar Sahraie N, Altin A, Sougrati M, Stievano L, Oh HS, Park ES, Luo F, Strasser P, Dražić G, Mayrhofer KJJ, Kim H, et al. The Achilles' heel of iron-based catalysts during oxygen reduction in an acidic medium Energy & Environmental Science. 11: 3176-3182. DOI: 10.1039/C8Ee01855C  0.312
2018 Baek SW, Lee SH, Song JH, Kim C, Ha Y, Shin H, Kim H, Jeong S, Lee J. A hydro/oxo-phobic top hole-selective layer for efficient and stable colloidal quantum dot solar cells Energy and Environmental Science. 11: 2078-2084. DOI: 10.1039/C7Ee03184J  0.719
2018 Kwon NH, Kim M, Jin X, Lim J, Kim IY, Lee N, Kim H, Hwang S. A rational method to kinetically control the rate-determining step to explore efficient electrocatalysts for the oxygen evolution reaction Npg Asia Materials. 10: 659-669. DOI: 10.1038/S41427-018-0060-3  0.602
2018 Islam MS, Kim M, Jin X, Oh SM, Lee N, Kim H, Hwang S. Bifunctional 2D Superlattice Electrocatalysts of Layered Double Hydroxide–Transition Metal Dichalcogenide Active for Overall Water Splitting Acs Energy Letters. 3: 952-960. DOI: 10.1021/Acsenergylett.8B00134  0.577
2018 Patil SB, Kim HJ, Lim H, Oh SM, Kim J, Shin J, Kim H, Choi JW, Hwang S. Exfoliated 2D Lepidocrocite Titanium Oxide Nanosheets for High Sulfur Content Cathodes with Highly Stable Li–S Battery Performance Acs Energy Letters. 3: 412-419. DOI: 10.1021/Acsenergylett.7B01202  0.315
2018 Lim H, Kwon Y, Kim HS, Jeon J, Kim Y, Lim J, Kim B, Choi J, Kim H. Insight into the Microenvironments of the Metal–Ionic Liquid Interface during Electrochemical CO2 Reduction Acs Catalysis. 8: 2420-2427. DOI: 10.1021/Acscatal.7B03777  0.525
2018 Choi CH, Lin L, Gim S, Lee S, Kim H, Wang X, Choi W. Polymeric Carbon Nitride with Localized Aluminum Coordination Sites as a Durable and Efficient Photocatalyst for Visible Light Utilization Acs Catalysis. 8: 4241-4256. DOI: 10.1021/Acscatal.7B03512  0.311
2018 Jin X, Shin S, Kim N, Kang B, Piao H, Choy J, Kim H, Hwang S. Superior role of MXene nanosheet as hybridization matrix over graphene in enhancing interfacial electronic coupling and functionalities of metal oxide Nano Energy. 53: 841-848. DOI: 10.1016/J.Nanoen.2018.09.055  0.327
2018 Kim WJ, Han KH, Lee YJ, Kim H, Lee EK. First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on $$\left( {10\bar{1}1} \right)\left[ {\bar{1}012} \right]$$ 10 1 ¯ 1 1 ¯ 012 Compression Twinning Deformation Processes Metals and Materials International. 24: 720-729. DOI: 10.1007/S12540-018-0091-X  0.727
2018 Lim H, Lim H, Xing X, Lee B, Liu H, Coaty C, Kim H, Liu P. Solid Electrolyte Layers by Solution Deposition Advanced Materials Interfaces. 5: 1701328. DOI: 10.1002/Admi.201701328  0.323
2017 Yoon JW, Lee JS, Piburn GW, Cho KH, Jeon K, Lim HK, Kim H, Jun CH, Humphrey SM, Krishna R, Chang JS. Highly selective adsorption of p-xylene over other C8 aromatic hydrocarbons by Co-CUK-1: a combined experimental and theoretical assessment. Dalton Transactions (Cambridge, England : 2003). PMID 29124256 DOI: 10.1039/C7Dt03304D  0.688
2017 Kim H, Gim S, Jeon TH, Kim H, Choi W. Distorted Carbon Nitride Structure with Substituted Benzene Moieties for Enhanced Visible Light Photocatalytic Activities. Acs Applied Materials & Interfaces. PMID 29076342 DOI: 10.1021/Acsami.7B14191  0.331
2017 Jin X, Lim J, Ha Y, Kwon NH, Shin H, Kim IY, Lee NS, Kim MH, Kim H, Hwang SJ. A critical role of catalyst morphology in low-temperature synthesis of carbon nanotube-transition metal oxide nanocomposite. Nanoscale. PMID 28809428 DOI: 10.1039/C7Nr03598E  0.748
2017 Park H, Lim HD, Lim HK, Seong WM, Moon S, Ko Y, Lee B, Bae Y, Kim H, Kang K. High-efficiency and high-power rechargeable lithium-sulfur dioxide batteries exploiting conventional carbonate-based electrolytes. Nature Communications. 8: 14989. PMID 28492225 DOI: 10.1038/Ncomms14989  0.705
2017 Ryu UJ, Kim SJ, Lim HK, Kim H, Choi KM, Kang JK. Synergistic interaction of Re complex and amine functionalized multiple ligands in metal-organic frameworks for conversion of carbon dioxide. Scientific Reports. 7: 612. PMID 28377611 DOI: 10.1038/S41598-017-00574-1  0.703
2017 Lim HK, Kim H. The Mechanism of Room-Temperature Ionic-Liquid-Based Electrochemical CO₂ Reduction: A Review. Molecules (Basel, Switzerland). 22. PMID 28350332 DOI: 10.3390/Molecules22040536  0.699
2017 Koh JH, Won DH, Eom T, Kim N, Jung KD, Kim H, Hwang YJ, Min BK. Facile CO2 Electro-Reduction to Formate via Oxygen Bidentate Intermediate Stabilized by High-Index Planes of Bi Dendrite Catalyst Acs Catalysis. 7: 5071-5077. DOI: 10.1021/Acscatal.7B00707  0.373
2017 Kim C, Eom T, Jee MS, Jung H, Kim H, Min BK, Hwang YJ. Insight into Electrochemical CO2 Reduction on Surface-Molecule-Mediated Ag Nanoparticles Acs Catalysis. 7: 779-785. DOI: 10.1021/Acscatal.6B01862  0.359
2017 Bae S, Gim S, Kim H, Dorcet V, Pasturel M, Grenèche J, Darbha GK, Hanna K. New Features and Uncovered Benefits of Polycrystalline Magnetite as Reusable Catalyst in Reductive Chemical Conversion The Journal of Physical Chemistry C. 121: 25195-25205. DOI: 10.1021/Acs.Jpcc.7B08178  0.347
2017 Jo YK, Kim M, Jin X, Kim IY, Lim J, Lee N, Hwang YK, Chang J, Kim H, Hwang S. Hybridization of a Metal–Organic Framework with a Two-Dimensional Metal Oxide Nanosheet: Optimization of Functionality and Stability Chemistry of Materials. 29: 1028-1035. DOI: 10.1021/Acs.Chemmater.6B03788  0.573
2017 Kim S, Kim H. Oxygen reduction reaction at porphyrin-based electrochemical catalysts: Mechanistic effects of pH and spin states studied by density functional theory Catalysis Today. 295: 119-124. DOI: 10.1016/J.Cattod.2017.05.007  0.355
2016 Choi I, Jeong HY, Shin H, Kang G, Byun M, Kim H, Chitu AM, Im JS, Ruoff RS, Choi SY, Lee KJ. Laser-induced phase separation of silicon carbide. Nature Communications. 7: 13562. PMID 27901015 DOI: 10.1038/Ncomms13562  0.764
2016 Shin H, Ha Y, Kim H. 2D Covalent Metals: A New Materials Domain of Electrochemical CO2 Conversion with Broken Scaling Relationship. The Journal of Physical Chemistry Letters. PMID 27676244 DOI: 10.1021/Acs.Jpclett.6B01876  0.749
2016 Lim HK, Lee H, Kim H. A Seamless Grid-based Interface for Mean-field QM/MM Coupled with Efficient Solvation Free Energy Calculations. Journal of Chemical Theory and Computation. PMID 27585395 DOI: 10.1021/Acs.Jctc.6B00469  0.707
2016 Kim WJ, Kim M, Lee EK, Lebègue S, Kim H. Failure of Density Functional Dispersion Correction in Metallic Systems and Its Possible Solution Using a Modified Many-Body Dispersion Correction. The Journal of Physical Chemistry Letters. PMID 27487413 DOI: 10.1021/Acs.Jpclett.6B00916  0.773
2016 Han JY, Choi TS, Kim S, Lee JW, Ha Y, Jeong KS, Kim H, Choi HC, Kim HI. Probing Distinct Fullerene Formation Processes from Carbon Precursors of Different Sizes and Structures. Analytical Chemistry. PMID 27434606 DOI: 10.1021/Acs.Analchem.6B02076  0.305
2016 Won DH, Shin H, Koh J, Chung J, Lee HS, Kim H, Woo SI. Highly Efficient, Selective, and Stable CO2 Electroreduction on a Hexagonal Zn Catalyst. Angewandte Chemie (International Ed. in English). PMID 27352078 DOI: 10.1002/Anie.201602888  0.743
2016 Lee JM, Mok EK, Lee S, Lee NS, Debbichi L, Kim H, Hwang SJ. A Conductive Hybridization Matrix of RuO2 Two-Dimensional Nanosheets: A Hybrid-Type Photocatalyst. Angewandte Chemie (International Ed. in English). PMID 27243375 DOI: 10.1002/Anie.201601494  0.307
2016 Choi CH, Kim M, Kwon HC, Cho SJ, Yun S, Kim HT, Mayrhofer KJ, Kim H, Choi M. Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst. Nature Communications. 7: 10922. PMID 26952517 DOI: 10.1038/Ncomms10922  0.586
2016 Kim WJ, Han MH, Shin YH, Kim H, Lee EK. First-Principles Study of the α-β Phase Transition of Ferroelectric Poly(vinylidene difluoride): Observation of Multiple Transition Pathways. The Journal of Physical Chemistry. B. PMID 26937953 DOI: 10.1021/Acs.Jpcb.6B00881  0.761
2016 Shin H, Choi M, Kim H. A mechanistic model for hydrogen activation, spillover, and its chemical reaction in a zeolite-encapsulated Pt catalyst. Physical Chemistry Chemical Physics : Pccp. PMID 26735140 DOI: 10.1039/C5Cp05536A  0.732
2016 Upare PP, Yoon JW, Hwang DW, Lee U, Hwang YK, Hong D, Kim JC, Lee JH, Kwak SK, Shin H, Kim H, Chang J. Design of a heterogeneous catalytic process for the continuous and direct synthesis of lactide from lactic acid Green Chemistry. 18: 5978-5983. DOI: 10.1039/C6Gc02405J  0.721
2016 Seo J, Jin X, Kim M, Kim IY, Jo YK, Bera S, Lee NS, Lee WI, Kim H, Hwang SJ. Exfoliated Metal Oxide Nanosheets as Effective and Applicable Substrates for Atomically Dispersed Metal Nanoparticles with Tailorable Functionalities Advanced Materials Interfaces. DOI: 10.1002/Admi.201600661  0.56
2015 Kwon S, Kim BJ, Lim HK, Kang K, Yoo SH, Gong J, Yoon E, Lee J, Choi IS, Kim H, Lee HS. Magnetotactic molecular architectures from self-assembly of β-peptide foldamers. Nature Communications. 6: 8747. PMID 26510658 DOI: 10.1038/Ncomms9747  0.667
2015 Kim C, Jeon HS, Eom T, Jee MS, Kim H, Friend CM, Min BK, Hwang YJ. Achieving Selective and Efficient Electrocatalytic Activity for CO2 Reduction Using Immobilized Silver Nanoparticles. Journal of the American Chemical Society. PMID 26447349 DOI: 10.1021/Jacs.5B06568  0.327
2015 Patil SB, Kim IY, Gunjakar JL, Oh SM, Eom T, Kim H, Hwang SJ. Phase Tuning of Nanostructured Gallium Oxide via Hybridization with Reduced Graphene Oxide for Superior Anode Performance in Li-Ion Battery: An Experimental and Theoretical Study. Acs Applied Materials & Interfaces. PMID 26258574 DOI: 10.1021/Acsami.5B05154  0.326
2015 Jeon K, Lee N, Bae S, Goddard WA, Kim H, Lee W. Theoretical and experimental studies of the dechlorination mechanism of carbon tetrachloride on a vivianite ferrous phosphate surface. The Journal of Physical Chemistry. A. 119: 5714-22. PMID 25924055 DOI: 10.1021/Acs.Jpca.5B01885  0.527
2015 Yoo SH, Eom T, Kwon S, Gong J, Kim J, Cho SJ, Driver RW, Lee Y, Kim H, Lee HS. Foldecture as a core material with anisotropic surface characteristics. Journal of the American Chemical Society. 137: 2159-62. PMID 25636150 DOI: 10.1021/Ja510840V  0.319
2015 Kyung D, Lim HK, Kim H, Lee W. CO2 hydrate nucleation kinetics enhanced by an organo-mineral complex formed at the montmorillonite-water interface. Environmental Science & Technology. 49: 1197-205. PMID 25532462 DOI: 10.1021/Es504450X  0.672
2015 Kim D, Lim HK, Ro H, Kim H, Lee H. Unexpected carbon dioxide inclusion in water-saturated pores of metal-organic frameworks with potential for highly selective capture of CO2. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 1125-9. PMID 25404494 DOI: 10.1002/Chem.201405360  0.694
2015 Kathalikkattil AC, Babu R, Roshan RK, Lee H, Kim H, Tharun J, Suresh E, Park DW. An lcy-topology amino acid MOF as eco-friendly catalyst for cyclic carbonate synthesis from CO2: Structure-DFT corroborated study Journal of Materials Chemistry A. 3: 22636-22647. DOI: 10.1039/C5Ta05688H  0.352
2015 Jung N, Shin H, Kim M, Jang I, Kim HJ, Jang JH, Kim H, Yoo SJ. Janus Pt surfaces derivatized with zwitterionic molecules for oxygen reduction reactions in alkaline and acid electrolytes Nano Energy. 17: 152-159. DOI: 10.1016/J.Nanoen.2015.08.012  0.728
2015 Lee S, Lee K, Im J, Kim H, Choi M. Revisiting hydrogen spillover in Pt/LTA: Effects of physical diluents having different acid site distributions Journal of Catalysis. 325: 26-34. DOI: 10.1016/J.Jcat.2015.02.018  0.332
2015 Kim M, Kim WJ, Lee EK, Lebègue S, Kim H. Recent development of atom-pairwise van der waals corrections for density functional theory: From molecules to solids International Journal of Quantum Chemistry. DOI: 10.1002/Qua.25061  0.552
2015 Choi M, Yook S, Kim H. Hydrogen Spillover in Encapsulated Metal Catalysts: New Opportunities for Designing Advanced Hydroprocessing Catalysts Chemcatchem. 7: 1048-1057. DOI: 10.1002/Cctc.201500032  0.321
2015 Yang KD, Ha Y, Sim U, An J, Lee CW, Jin K, Kim Y, Park J, Hong JS, Lee JH, Lee H, Jeong H, Kim H, Nam KT. Graphene Quantum Sheet Catalyzed Silicon Photocathode for Selective CO2Conversion to CO Advanced Functional Materials. 26: 233-242. DOI: 10.1002/Adfm.201502751  0.371
2014 Jeon J, Park YC, Han SS, Goddard WA, Lee YS, Kim H. Rapid Dye Regeneration Mechanism of Dye-Sensitized Solar Cells. The Journal of Physical Chemistry Letters. 5: 4285-90. PMID 26273975 DOI: 10.1021/Jz502197B  0.509
2014 Seo DH, Shin H, Kang K, Kim H, Han SS. First-Principles Design of Hydrogen Dissociation Catalysts Based on Isoelectronic Metal Solid Solutions. The Journal of Physical Chemistry Letters. 5: 1819-24. PMID 26273859 DOI: 10.1021/Jz500496E  0.733
2014 Shin H, Jung S, Bae S, Lee W, Kim H. Nitrite reduction mechanism on a Pd surface. Environmental Science & Technology. 48: 12768-74. PMID 25280017 DOI: 10.1021/Es503772X  0.703
2014 Kim D, Kim DW, Lim HK, Jeon J, Kim H, Jung HT, Lee H. Inhibited phase behavior of gas hydrates in graphene oxide: influences of surface and geometric constraints. Physical Chemistry Chemical Physics : Pccp. 16: 22717-22. PMID 25232710 DOI: 10.1039/C4Cp03263B  0.692
2014 Lim HK, Shin H, Goddard WA, Hwang YJ, Min BK, Kim H. Embedding covalency into metal catalysts for efficient electrochemical conversion of CO2. Journal of the American Chemical Society. 136: 11355-61. PMID 25061918 DOI: 10.1021/Ja503782W  0.794
2014 Choi CH, Lim HK, Chung MW, Park JC, Shin H, Kim H, Woo SI. Long-range electron transfer over graphene-based catalyst for high-performing oxygen reduction reactions: importance of size, N-doping, and metallic impurities. Journal of the American Chemical Society. 136: 9070-7. PMID 24905892 DOI: 10.1021/Ja5033474  0.793
2014 Im J, Shin H, Jang H, Kim H, Choi M. Maximizing the catalytic function of hydrogen spillover in platinum-encapsulated aluminosilicates with controlled nanostructures. Nature Communications. 5: 3370. PMID 24566616 DOI: 10.1038/Ncomms4370  0.734
2014 Choi CH, Kwon HC, Yook S, Shin H, Kim H, Choi M. Hydrogen Peroxide Synthesis via Enhanced Two-Electron Oxygen Reduction Pathway on Carbon-Coated Pt Surface The Journal of Physical Chemistry C. 118: 30063-30070. DOI: 10.1021/Jp5113894  0.739
2014 Eom T, Lim H, Goddard WA, Kim H. First-Principles Study of Iron Oxide Polytypes: Comparison of GGA+Uand Hybrid Functional Method The Journal of Physical Chemistry C. 119: 556-562. DOI: 10.1021/Jp508096B  0.499
2014 Yook S, Shin H, Kim H, Choi M. Selective Dissociation of Dihydrogen over Dioxygen on a Hindered Platinum Surface for the Direct Synthesis of Hydrogen Peroxide Chemcatchem. 6: 2836-2842. DOI: 10.1002/Cctc.201402436  0.739
2013 Joo J, Kim H, Han SS. Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules. Physical Chemistry Chemical Physics : Pccp. 15: 18822-6. PMID 24072185 DOI: 10.1039/C3Cp53256A  0.309
2013 Lim HK, Lim HD, Park KY, Seo DH, Gwon H, Hong J, Goddard WA, Kim H, Kang K. Toward a lithium-"air" battery: the effect of CO2 on the chemistry of a lithium-oxygen cell. Journal of the American Chemical Society. 135: 9733-42. PMID 23758262 DOI: 10.1021/Ja4016765  0.742
2013 Jang MS, Kim H, Son YW, Atwater HA, Goddard WA. Graphene field effect transistor without an energy gap. Proceedings of the National Academy of Sciences of the United States of America. 110: 8786-9. PMID 23671093 DOI: 10.1073/Pnas.1305416110  0.495
2013 Jeon J, Goddard WA, Kim H. Inner-sphere electron-transfer single iodide mechanism for dye regeneration in dye-sensitized solar cells. Journal of the American Chemical Society. 135: 2431-4. PMID 23384053 DOI: 10.1021/Ja311714A  0.507
2013 Shin H, Pascal TA, Goddard WA, Kim H. Scaled effective solvent method for predicting the equilibrium ensemble of structures with analysis of thermodynamic properties of amorphous polyethylene glycol-water mixtures. The Journal of Physical Chemistry. B. 117: 916-27. PMID 23256665 DOI: 10.1021/Jp310422Q  0.737
2012 Jeon J, Kim H, Goddard WA, Pascal TA, Lee GI, Kang JK. The Role of Confined Water in Ionic Liquid Electrolytes for Dye-Sensitized Solar Cells. The Journal of Physical Chemistry Letters. 3: 556-9. PMID 26286060 DOI: 10.1021/Jz3000036  0.484
2012 Kim H, Choi JM, Goddard WA. Universal Correction of Density Functional Theory to Include London Dispersion (up to Lr, Element 103). The Journal of Physical Chemistry Letters. 3: 360-3. PMID 26285852 DOI: 10.1021/Jz2016395  0.517
2012 An Q, Liu Y, Zybin SV, Kim H, Goddard WA. Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics The Journal of Physical Chemistry C. 116: 10198-10206. DOI: 10.1021/Jp300711M  0.555
2011 Kim H, Su JT, Goddard WA. High-temperature high-pressure phases of lithium from electron force field (eFF) quantum electron dynamics simulations. Proceedings of the National Academy of Sciences of the United States of America. 108: 15101-5. PMID 21873210 DOI: 10.1073/Pnas.1110322108  0.51
2011 Kim H, Goddard WA, Han KH, Kim C, Lee EK, Talkner P, Hänggi P. Thermodynamics of d-dimensional hard sphere fluids confined to micropores. The Journal of Chemical Physics. 134: 114502. PMID 21428627 DOI: 10.1063/1.3564917  0.66
2011 Huang M, Pascal TA, Kim H, Goddard WA, Greer JR. Electronic--mechanical coupling in graphene from in situ nanoindentation experiments and multiscale atomistic simulations. Nano Letters. 11: 1241-6. PMID 21309539 DOI: 10.1021/Nl104227T  0.483
2011 Seo D, Kim H, Kim H, Goddard WA, Kang K. The predicted crystal structure of Li4C6O6, an organic cathode material for Li-ion batteries, from first-principles multi-level computational methods Energy & Environmental Science. 4: 4938. DOI: 10.1039/C1Ee02410H  0.51
2011 Han SS, Kim H, Park N. Effect of Shuttling Catalyst on the Migration of Hydrogen Adatoms: A Strategy for the Facile Hydrogenation of Graphene Journal of Physical Chemistry C. 115: 24696-24701. DOI: 10.1021/Jp209934Z  0.31
2011 Kim H, Jang SS, Kiehl RA, Goddard WA. Negative Differential Resistance of Oligo(Phenylene Ethynylene) Self-Assembled Monolayer Systems: The Electric-Field-Induced Conformational Change Mechanism The Journal of Physical Chemistry C. 115: 3722-3730. DOI: 10.1021/Jp1114916  0.648
2010 Shin YS, Ahmad H, Shi Q, Kim H, Pascal TA, Fan R, Goddard WA, Heath JR. Chemistries for patterning robust DNA microbarcodes enable multiplex assays of cytoplasm proteins from single cancer cells. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 3063-9. PMID 20715281 DOI: 10.1002/Cphc.201000528  0.462
2010 Kim HI, Kim H, Shin YS, Beegle LW, Goddard WA, Heath JR, Kanik I, Beauchamp JL. Time resolved studies of interfacial reactions of ozone with pulmonary phospholipid surfactants using field induced droplet ionization mass spectrometry. The Journal of Physical Chemistry. B. 114: 9496-503. PMID 20608690 DOI: 10.1021/Jp102332G  0.429
2010 Son JY, Shin YH, Kim H, Jang HM. NiO resistive random access memory nanocapacitor array on graphene. Acs Nano. 4: 2655-8. PMID 20438101 DOI: 10.1021/nn100234x  0.584
2010 Kim HI, Kim H, Shin YS, Beegle LW, Jang SS, Neidholdt EL, Goddard WA, Heath JR, Kanik I, Beauchamp JL. Interfacial reactions of ozone with surfactant protein B in a model lung surfactant system. Journal of the American Chemical Society. 132: 2254-63. PMID 20121208 DOI: 10.1021/Ja908477W  0.614
2010 Hee Park M, Kim H, Jung Urm J, Ho Lee J, Han Y, Sup Lee Y. Hydrogen desorption mechanism of a Li–N–H hydrogen storage system Journal of Molecular Structure: Theochem. 962: 68-71. DOI: 10.1016/J.Theochem.2010.09.016  0.318
2009 Son JY, Shin YH, Ryu S, Kim H, Jang HM. Dip-pen lithography of ferroelectric PbTiO(3) nanodots. Journal of the American Chemical Society. 131: 14676-8. PMID 19824727 DOI: 10.1021/Ja906871B  0.567
2009 Kim HI, Kim H, Pang ES, Ryu EK, Beegle LW, Loo JA, Goddard WA, Kanik I. Structural characterization of unsaturated phosphatidylcholines using traveling wave ion mobility spectrometry. Analytical Chemistry. 81: 8289-97. PMID 19764704 DOI: 10.1021/Ac900672A  0.476
2009 Son JY, Lee G, Jo MH, Kim H, Jang HM, Shin YH. Heteroepitaxial ferroelectric ZnSnO3 thin film. Journal of the American Chemical Society. 131: 8386-7. PMID 19476356 DOI: 10.1021/Ja903133N  0.553
2009 Kim H, Goddard WA, Jang SS, Dichtel WR, Heath JR, Stoddart JF. Free energy barrier for molecular motions in bistable [2]rotaxane molecular electronic devices. The Journal of Physical Chemistry. A. 113: 2136-43. PMID 19226131 DOI: 10.1021/Jp809213M  0.653
2009 Kim H, Deng WQ, Goddard WA, Jang SS, Davis ME, Yan Y. Sodium diffusion through aluminum-doped zeolite BEA system: Effect of water solvation Journal of Physical Chemistry C. 113: 819-826. DOI: 10.1021/Jp804873S  0.723
2008 Kim H, Kim C, Lee EK, Talkner P, Hänggi P. Wall-mediated self-diffusion in slit and cylindrical pores. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 031202. PMID 18517363 DOI: 10.1103/Physreve.77.031202  0.56
2008 Kim H, Kim HI, Johnson PV, Beegle LW, Beauchamp JL, Goddard WA, Kanik I. Experimental and theoretical investigation into the correlation between mass and ion mobility for choline and other ammonium cations in N2. Analytical Chemistry. 80: 1928-36. PMID 18278882 DOI: 10.1021/Ac701888E  0.476
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