Prior to Sookmyung Univ. (~2024.08)

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(28)  An, T.-Y.; Xia, C.; Je, M.; Lee, H.; Ji, S.; Kim, M.-C.; Surendran, S.; Han, M.-K.; Lim, J.; Lee, D.-K.; Kim, J. Y.; Kim, T.-H.; Choi, H.; Kim, J.K.; Sim, U. V2O3/VN electrocatalysts with coherent heterogeneous interfaces for selecting low-energy nitrogen reduction pathways, Susmat, 4, e226 (2024)

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(27)  Phu, T.K.C.; Hong, W.T.; Han, H.; Song, Y.I.; Kim, J.H.; Roh, S.H.; Kim, M.-C.; Koh, J.H.; Oh, B.-K.; Kim, J.Y.; Chung, C.-H.; Lee, D.H.; Kim, J.K. Conformal surface intensive doping of low-valence Bi on Cu2O for highly efficient electrochemical nitrate reduction to ammonia production, Mater. Today, 76, 52 (2024)

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(26)  Kim, J.; Kim, M.-C.; Han, S.S.;Cho, K. Accessible Ni-Fe-Oxalate Framework for Electrochemical Urea
Oxidation with Radically Enhanced Kinetics, Adv. Func. Mater., 34, 2315625 (2024)

(25) Li, Y.K.; Kim, M.-C.; Xia, C.K.;Hong, W.T.;Kim, J.;Bae, G.; Jang, Y.S.; Jeong, S.Y.; Sim, E.; Choi,
C.H.; Kim, T.H.; Kim, K.H.; Kim, J.K. A natural molecule-driven organometallic conformal overlayer
for high efficiency photoelectrochemical water splitting, Appl. Catal. B-Environ., 343, 123516 (2024),
co-first author

(24) Kim, S.; Kim, M.-C.; Yeo B.C.; Han, S.S. High-throughput design of bimetallic core-shell catalysts for
the electrochemical nitrogen reduction reaction J. Mater. Chem. A, 11, 24686 (2023), co-first author

(23) Kim, M.-C.; Chung, J.; An, T.-Y.; Lee, J.; Han, M.-K.; Lee, S.; Choi, W.; Kim, J.K.; Han, S.S.; Sim,
U.; Yu, T., Paradox of thiourea: A false-positive and promoter for electrochemical nitrogen reduction
on nickel sulde catalysts, Appl. Catal. B-Environ., 328, 122485 (2023)

(22) Jo, C.; Surendran, S.; Kim, M.-C.; An, T.-Y.; Lim, Y.; Choi, H.; Janani, G.; Jesudass, S.C.; Moon,
D.J.; Kim, J.; Kim, J.Y.; Choi, C.H.; Kim, M.; Kim, J.K.; Sim, U., Meticulous Integration of N and
C Active Sites in Ni2P Electrocatalyst for Sustainable Ammonia Oxidation and Efficient Hydrogen
Production, Chem. Eng. J., 463, 142314 (2023), co-first author

(21) Pei, C.; Kim, M.-C.; Li, Y.; Xia, C.; Kim. J.; So, W.; Yu, X.; Park, H.S.; Kim, J.K., Electron
Transfer-Induced Metal Spin-Crossover at NiCo2S4/ReS2 2D-2D Interfaces for Promoting pH-universal
Hydrogen Evolution Reaction, Adv. Func. Mater., 33, 2210072 (2023), co-first author

(20) Lee, H.W.; Jeong, G.-U.; Kim, M.-C.; Kim, S.; Han, S.S., Atomistic Origin of Mechanochemical NH3
Synthesis on Fe Catalysts, Int. J. Hyd. Energy, 48, 3931 (2023)

(19) Kim, Y; Song, S.; Kim, M.-C.; Sim, E., Soft-Wall Ion Transfer Channel Accurately Predicts Sterically
Hindered Ion Channel Permeability, Bull. Korean Chem. Soc., 43, 514 (2022)

(18) Mosab, B.; Kim, M.-C.; Han, S. S., Origin of Enhanced Ammonia Synthesis on Ru-Co Catalysts
Unraveled by Density Functional Theory, ACS Catal., 12, 1090 (2022), corresponding author

(17) Lee, H.W; Jung, E.; Han, G.-H.; Kim, M.-C.; Kim, D.; Lee, K.-Y.; Han, S.S.; Yu, T., Three-in-One
Strategy to Improve both Catalytic Activity and Selectivity: Nonconcentric Pd-Au Nanoparticles, J.
Phys. Chem. Lett., 12, 11098 (2021)

(16) Yeo, B.C.; Nam, H.; Nam, H.; Kim, M.-C.; Lee, H.W.; Kim, D.; Lee, K.-Y.; Lee, S.Y.; Han, S.S., High-
Throughput Computational-Experimental Screening Protocol for the Discovery of Bimetallic Catalysts,
NPJ Comput. Mater., 7, 137 (2021)

(15) Kim, M.-C.; Han, G.-H.; Xiao, X.; Song, J.; Hong, J.; Jung, E.; Kim, H.-K.; Ahn, J.-P.; Han. S.S.;
Lee, K.-Y. and Yu, T., Anisotropic Growth of Pt on Pd Nanocubes Promotes Direct Synthesis of
Hydrogen Peroxide, Appl. Surf. Sci., 562, 150031 (2021)

(14) Kim, M.-C. and Han, S.S., Electrochemically Modeling a Nonelectrochemical System: Hydrogen
Peroxide Direct Synthesis on Palladium Catalysts, J. Phys. Chem. Lett., 12, 4490 (2021)

(13) Lee, H. W.; Nam, H; Han, G.-H., Cho, Y.-H.; Yeo, B.C.; Kim, M.-C.; Kim, D.; Lee, K.-Y., Lee, S.Y.;
Han, S.S., Solution Alloying of Immiscible Pt and Au Boosts Catalytic Performance for H2O2 Direct
Synthesis, Acta Mater., 205, 116563 (2021)

(12) Kim, M.-C.; Nam, H.; Choi, J.; Kim, H.; Lee, H.; Kong, J.; Han, S.S.; Lee, S. and Park, H., Hydrogen-
Bonding-Mediated Enhancement of Bio-inspired Nitrogen Electroreduction on Cu2−xS Catalysts, ACS
Catal., 10, 10577 (2020)

(11) Nguyen, D.L.T.; Lee, C.W.; Na J.; Kim, M.-C.; Tu, N.D.K.; Lee, S.Y.; Sa, Y.J.; Won, D.H.; Oh, H.-S.;
Kim, H.; Kim, B.K.; Han, S.S.; Lee, U.; Hwang, Y.J., Mass Transport Control by Surface Graphene
Oxide for Selective CO Production from Electrochemical CO2 Reduction, ACS Catal., 10, 3222 (2020)
2

(10) Song, S.; Kim, M.-C.; Sim, E.; Benali, A.; Heinonen, O. and Burke, K., Benchmarks and Realiable
DFT results for Spin Gaps and Small Ligand Fe(II) complexes, J. Chem. Theo. Comp. 14, 2304 letter,
2018)

(9) Wasserman, A.; Nafziger, J.; Jiang, K.; Kim, M.-C.; Sim, E. and Burke, K., The Importance of Being
Inconsistent, Annu. Rev. Phys. Chem., 68, 555, (2017), invited

(8) Kim, M.-C.; Park, H.; Son, S.; Sim, E.; Burke, K. Improved DFT potential energy surfaces via density
correction J. Phys. Chem. Lett., 6, 3802, (2015)

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(7) Kim, M.-C.; Sim, Eunji; and Burke, Kieron. Ions in solution: Density corrected density functional theory (DC-DFT) J. Chem. Phys. 111, 073003, (2014), invited, special issue for 50th anniversary of DFT, featured article

(6) Kim, M.-C.; Sim, Eunji; and Burke, Kieron. Understanding and Reducing Errors in Density Func-
tional Calculations Phys. Rev. Lett. 111, 073003, (2013)

(5) Jang, J.; Jeong, S.; Seo, J.; Kim, M.-C.; Sim, E.; Oh, Y.; Nam, S.; Park, B.; and Cheon, J. Ultrathin
Zirconium Disulfide Nanodiscs J. Am. Chem. Soc. 133, 7636, (Communications, 2011)

(4) Kim, M.-C.; Sim, E.; and Burke, K. Avoiding Unbound Anions in Density Functional Calculations J.
Chem. Phys. 134, 171103, (Communications, 2011) Most Accessed Communications of J. Chem. Phys.
in 2013

(3) Kim, J.-K.; Lee, E.; Kim, M.-C.; Sim, E.; and Lee, M. Reversible Transformation of Helical Coils
and Straight Rods in Hollow Cylindrical Assembly of Elliptical Macrocycles, J. Am. Chem. Soc. 131,
17768, (2009)

(2) Naidu, V. R.; Kim, M.-C.; Suk , J. ; Kim, H.-J.; Lee, M.; Sim, E.; and Jeong, K.-S. Biased Helical
Folding of Chiral Oligoindole Foldamers, Org. Lett. 10, 5373, (2008)

(1) Kim, H.-J.; Lee, E.; Kim, M. G.; Kim, M.-C.; Lee, M.; and Sim, E.. Folding of Coordination Polymers
into Double-Stranded Helical Organization, Chem. - Eur. J. 14 3883, (2008), Cover Article