[1] Establishing the accuracy of density functional approaches for the description of noncovalent interactions in ionic liquids. [link]
M. Kim, T. Gould, E. I. Izgorodina, D. Rocca, S. Lebègue*, Phys. Chem. Chem. Phys. 2021, 23, 25558-25564.

[2] Establishing the accuracy of density functional approaches for the description of noncovalent interactions in biomolecules. [link]
M. Kim, T. Gould, D. Rocca, S. Lebègue*, Phys. Chem. Chem. Phys. 2020, 22, 21685-21695.

[3] uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding. [link]
M. Kim†, W. J. Kim†, T. Gould, E. K. Lee*, S. Lebègue*, H. Kim*, J. Am. Chem. Soc. 2020, 142, 2346-2354.

[4] Failure of density functional dispersion correction in metallic systems and its possible solution using a modified many-body dispersion correction. [link]
W. J. Kim†, M. Kim†, E. K. Lee*, S. Lebègue*, H. Kim*, J. Phys. Chem. Lett. 2016, 7, 3278-3283.

[5] Recent development of atom‐pairwise van der Waals corrections for density functional theory: From molecules to solids. [link]
M. Kim†, W. J. Kim†, E. K. Lee*, S. Lebègue*, H. Kim*, Int. J. Quantum Chem. 2016, 116, 598-607.

[1] The Crucial Role of Metal Coordination Number in Optimizing Electrocatalyst Activity of Holey Large-Area 2D Ru Nanosheets. [link]
X. Jin, S. J. Kwon, M. G. Kim*, M. Kim*, S. -J. Hwang*, ACS Nano, 2024, Just accepted.

[2] Selective Formic Acid Production in Ni and NiFe Layered Hydroxide via Glycerol Electro-Oxidation. [link]
D. Kim, C. Dang Van, M. S. Lee, M. Kim*, M. H. Lee*, J. Oh*, ACS Catal. 2024, 14, 7717-7725. 

[3] Unravelling the effect of Ti3+/Ti4+ active sites dynamic on reaction pathways in direct gas-solid-phase CO2 photoreduction. [link]
N. S. Powar, S. Kim, J. Lee, E. Gong, C. B. Hiragond, D. Kim, T. Zhang, M. Kim*, S. -I. In*, Appl. Catal. B, 2024, 352, 124006.

[4] Heterostructure of Fe-doped CoMoOx/CoMoOx as an Efficient Electrocatalyst for Oxygen Evolution Reaction. [link]
C. Dang Van, S. Garain, J. Ager, M. Kim*, M. H. Lee*, ACS Appl. Mater. Interfaces, 2024, 16, 9989-9998.

[5] Photochemical tuning of dynamic defects for high-performance atomically dispersed catalysts. [link]
C. W. Lee†, B. -H. Lee†*, S. Park†, Y. Jung, J. Han, J. Heo, K. Lee, W. Ko, S. Yoo, M. S. Bootharaju, J. Ryu, K. T. Nam, M. Kim*, T. Hyeon*, Nat. Mater. 2024, 23, 552-559.

[6] Dynamic Ti3+ and In3+ dual active sites on In2TiO5 to enhance visible-light-driven gas-phase photocatalytic CO2 reduction. [link]
N. S. Powar, M. Jang, M. G. Kim, C. B. Hiragond, J. Lee, E. Gong, H. Kim, D. Kim, J. -W. Jung, C. -H. Cho, T. Zhang, M. Kim*, S. -I. In*, Chem. Eng. J. 2024, 480, 147966.

[7] Structural heterogeneity of single-atom catalysts and true active site generation via ligand exchange during electrochemical H2O2 production. [link]
S. Chi, S. G. Ji, M. Kim, H. Kim, C. H. Choi, M. Choi, J. Catal. 2023, 419, 49-57.

[8] Effect of Rare-Earth Element Doping on NiFe-Layered Double Hydroxides for Water Oxidation at Ultrahigh Current Densities. [link]
C. Dang Van, S. Kim, M. Kim*, M. H. Lee*, ACS Sustain. Chem. Eng. 2023, 11, 1333-1343.

[9] Electronic interaction between transition metal single-atoms and anatase TiO2 boosts CO2 photoreduction with H2O. [link]
B. -H. Lee†, E. Gong†, M. Kim†, S. Park, H. R. Kim, J. Lee, E. Jung, C. W. Lee, J. Bok, Y. Jung, Y. S. Kim, K. -S. Lee, S. -P. Cho, J. -W. Jung, C. -H. Cho, S. Lebègue, K. T. Nam, H. Kim*, S. -I. In*, T. Hyeon*, Energy & Environ. Sci. 2022, 15, 601-609.

[10] Physicochemical Understanding of the Impact of Pore Environment and Species of Adsorbates on Adsorption Behaviour. [link]
H. S. Cho†*, H. Tanaka†, Y. Lee, Y. -B. Zhang, J. Jiang, M. Kim, H. Kim, J. K. Kang, O. Terasaki*, Angew. Chem. 2021, 133, 20667-20673.

[11] Understanding the relative efficacies and versatile roles of 2D conductive nanosheets in hybrid-type photocatalyst. [link]
S. Son†, J. M. Lee†, S. -J. Kim, H. Kim, X. Jin, K. K. Wang, M. Kim, J. W. Hwang, W. Choi, Y. -R. Kim*, H. Kim*, S. -J. Hwang*, Appl. Catal. B: Environ. 2019, 257, 117875.

[12] Reversible and cooperative photoactivation of single-atom Cu/TiO2 photocatalysts. [link]
B. -H. Lee†, S. Park†, M. Kim, A. K. Sinha, S. C. Lee, E. Jung, W. J. Chang, K. -S. Lee, J. H. Kim, S. -P. Cho, H. Kim*, K. T. Nam*, T. Hyeon*, Nat. Mater. 2019, 18, 620–626.

[13] Probing Surface Chemistry at an Atomic Level: Decomposition of 1-Propanethiol on GaP (001)(2×4) Investigated by STM, XPS, and DFT. [link]
S. Jeon†*, M. Kim†, P. W. Doak, H. A. Atwater, H. Kim*, J. Phys. Chem. C 2019, 123, 2964-2972.

[14] Carbon monoxide as a promoter of atomically dispersed platinum catalyst in electrochemical hydrogen evolution reaction. [link]
H. C. Kwon†, M. Kim†, J. -P. Grote, S. J. Cho, M. W. Chung, H. Kim, D. H. Won, A. R. Zeradjanin, K. J. J. Mayrhofer, M. Choi, H. Kim*, C. H. Choi*, J. Am. Chem. Soc. 2018, 140, 16198-16205.

[15] A rational method to kinetically control the rate-determining step to explore efficient electrocatalysts for the oxygen evolution reaction. [link]
N. H. Kwon†, M. Kim†, X. Jin, J. Lim, I. Y. Kim, N. -S. Lee, H. Kim, S. -J. Hwang, NPG Asia Mater. 2018, 10, 659-669.

[16] Bifunctional 2D superlattice electrocatalysts of layered double hydroxide–transition metal dichalcogenide active for overall water splitting. [link]
M. S. Islam†, M. Kim†, X. Jin, S. M. Oh, N. -S. Lee, H. Kim*, S. -J. Hwang*, ACS Energy Lett. 2018, 3, 952-960.

[17] Hybridization of a metal–organic framework with a two-dimensional metal oxide nanosheet: optimization of functionality and stability. [link]
Y. K. Jo, M. Kim, X. Jin, I. Y. Kim, J. Lim, N. -S. Lee, Y. K. Hwang, J. -S. Chang, H. Kim*, S. -J. Hwang*, Chem. Mater. 2017, 29, 1028-1035.

[18] Exfoliated Metal Oxide Nanosheets as Effective and Applicable Substrates for Atomically Dispersed Metal Nanoparticles with Tailorable Functionalities. [link]
J. Seo, X. Jin, M. Kim, I. Y. Kim, Y. K. Jo, S. Bera, N. ‐S. Lee, W. I. Lee, H. Kim*, S. ‐J. Hwang*, Adv. Mater. Interfaces 2016, 3, 1600661.

[19] Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst. [link]
C. H. Choi, M. Kim, H. C. Kwon, S. J. Cho, S. Yun, H. -T. Kim, K. J. J. Mayrhofer, H. Kim*, M. Choi*, Nat. Commun. 2016, 7, 1-9.