COMPUTATIONAL MATERIALS MODELLING LAB
Materials Science and Engineering, Dankook University
2023
(† indicates co-first authors)
1. Y.S. Choi†, H.M. Lee†, J.Y. Moon†, D.O. Scanlon, J.C. Lee : “Achieving high capacity retention for SnS2 anodes via the solvent-driven reversible conversion-alloying reactions” Energy Storage Materials (IF: 20.831), 61, 102867
2022
(† indicates co-first authors)
2. Y.S. Choi, S.I.R. Costa, N. Tapia-Ruiz, D.O. Scanlon : “Intrinsic defects and their role in the phasetransition of Na-ion anode Na2Ti3O7” ACS Appl. Energy Mater. (IF: 6.024) 2023, 6, 1, 484–495
3. Y.H. Kim, J.H. An, S.Y. Kim, X. Li, E.J. Song, J.H. Park, K.Y. Chung, Y.S. Choi, D.O. Scanlon, H.J. Ahn *, J.C. Lee * : “Enabling 100C Fast-Charging Bulk Bi Anodes for Na-Ion Batteries”, Advanced Materials (IF: 30.849), 2201446
4. S.F. Linnell, E.J. Kim, Y.S. Choi, M. Hirsbrunner, S. Imada, A. Pramanik, A.F. Cuesta, D. Miller, E. Fusco, B.E. Bode, J.T.S. Irvine, L.C. Duda, D.O. Scanlon, A.R. Armstrong * : “Enhanced Oxygen Redox Reversibility and Capacity Retention of Titanium Substituted Na4/7[â–¡1/7Ti1/7Mn5/7]O2 in Sodium-Ion Batteries”, Journal of Materials Chemistry A (IF: 12.732), 10(18), 9941-9953
5. C. Soares†, B. Silvan†, Y.S. Choi†, V. Celorrio, G. Cibin, D.O. Scanlon and N. Tapia-Ruiz * : “Na2.4Al0.4Mn2.6O7 anionic redox cathode material for sodium ion batteries- a combined experimental and theoretical approach to elucidate its charge storage mechanism”, Journal of Materials Chemistry A (IF: 12.732), 10(13), 7341-7356
2021
6. J.H. Park†, Y.S. Choi†, C.H. Kim, Y.W. Byeon, Y.M. Kim, B.J. Lee, J.P. Ahn, H.J. Ahn,* and J.C. Lee * : “Self-Assembly of Pulverized Nanoparticles: An Approach to Realize Large-Capacity, Long-Lasting, and Ultra-Fast-Chargeable Na-Ion Batteries”, Nano Letters (IF: 11.189), 21, 9044−9051
7. N. Tapia-Ruiz *, A.R. Armstrong, H. Alptekin, M.A. Amores, H. Au, R. Boston, W.R Brant, J.M. Brittain, Y. Chen, M. Chhowalla, Y.S. Choi, S.A. Corr, S.I.R. Costa, M. Crespo Ribadeneyra, E.J. Cussen, W.I.F. David, A.V. Desai, S.A.M. Dickson, E.I. Eweka, J.D. Forero-Saboya, C.P. Grey, J.M. Griffin, P. Gross, X. Hua, J.T.S. Irvine, P. Johansson, M.O. Jones, M. Karlsmo, E. Kendrink, E. Kim, O.V. Kolosov, Z. Li, S.F.L. Mertens, R. Mogensen, L. Monconduit, R.E. Morris, A.J. Naylor, S. Nikman, C.A. O’Keefe, D.M.C. Ould, R.G. Palgrave, P. Poizot, A. Ponrouch, S. Renault, E.M. Reynolds, A. Rudola, R. Sayers, D.O. Scanlon, S. Sen, V.R. Seymore, B. Silvan, M.T. Sougrati, L. Stievano, G.S. Stone, C.I. Thomas, M.M. Titirici, J. Tong, T.T. Wood, D.S. Wright, R. Younesi : “2021 roadmap for sodium-ion batteries”, Journal of Physics: Energy (IF: 5.967), 3, 031503
2020
8. Y.S. Choi, D.O. Scanlon, J.C. Lee * : “Extending the performance limit of anodes: insights from diffusion kinetics of alloying anodes”, Advanced Energy Materials (IF: 29.368), 11(27), 2003078
9. S.I.R. Costa, Y.S. Choi, A.J. Fielding, A.J. Naylor, J.M. Griffin, C. Soares, Z. Sofer, D.O. Scanlon, N. Tapia-Ruiz * : “Surface engineering strategy using urea to improve the rate performance of Na2Ti3O7 in Na-ion batteries”, Chemistry – A European Journal (IF: 5.236), 11(27), 3875-3886
2019
10. Y.S. Choi, J.C. Lee * : “Continuous/reversible phase transition behaviors and their effect on the hysteresis energy loss of the anodes in Na-ion batteries”, Electrochimica Acta (IF: 6.901), 328, 135106
11. Y.S. Choi, J.C. Lee * : “Characterizing multiple continuous phase transitions at an alloying anode with voltammetric measurement and first-principles calculations”, Journal of Materials Chemistry A (IF: 12.732), 7(40), 23121-23129
12. J.H. Park†, Y.S. Choi†, Y.W. Byeon, J.P. Ahn, J.C. Lee * : “Diffusion kinetics governing the diffusivity and diffusion anisotropy of alloying anodes in Na-ion batteries”, Nano Energy (IF: 17.881) 65, 104041
13. J.H. Park†, Y.S. Choi†, H.C. Shim, J.P. Ahn, J.C. Lee * : “Direct-contact micro-electrical measurement of the electrical resistivity of a solid electrolyte interface”, Nano letters (IF: 11.189) 19(6), 3692–3698
14. Y.S. Choi†, J.H. Park†, J.P. Ahn, J.C. Lee * : “Anisotropic Swelling Governed by Orientation-Dependent Interfacial Na Diffusion in Single-Crystalline Sb”, Chemistry of Materials (IF: 9.811), 31(5): 1696–1703
15. Y.S. Choi, J.C. Lee * : “Electronic and mechanistic origins of the superionic conductivity of sulfide-based solid electrolytes”, Journal of Power Sources (IF: 9.127), 415(1):189-196
2018
16. J.H. Park, Y.S. Choi, H.C. Shim, J.P. Ahn, J.C. Lee * : “Direct Measurement of Electric Resistivity of Solid Electrolyte Interface Using 4-Point-Probe Technique”, Korean Journal of Metals and Materials (IF: 1.005), 57.1: 67-70
17. Y.W. Byeon†, Y.C. Choi†, J.P. Ahn, J.C. Lee * : “Isotropic Sodiation Behaviors of Ultrafast-Chargeable Tin Crystals”, ACS applied materials & interfaces (IF: 9.229), 10.48: 41389-41397
18. Y.S. Choi, J.C. Lee * : “Phase transition behaviors and formation of electrically resistive phases at the anode: Major factors determining the energy efficiency of Li-ion batteries”, Journal of Materials Chemistry A (IF: 12.732), 6.24: 11531-11541
19. Y.S. Choi, Y.W. Byeon, J.P. Ahn, J.C. Lee * : "Evaluation of energy loss at Sn anodes based on phase transition behaviors and formation of electrically resistive phases of Na–Sn batteries", Journal of Materials Chemistry A (IF: 12.732), 6.20: 9428-9436
2017
20. Y. S. Choi†, Y. W. Byeon†, J. H. Park, J. H. Seo, J. P. Ahn, J. C. Lee * : “Ultrafast Sodiation of Single-Crystalline Sn Anodes”, ACS applied materials & interfaces (IF: 9.229), 10(1): 560-568
21. Y. S. Choi†, J. H. Park†, J. P. Ahn, J. C. Lee * : “Interfacial Reactions in the Li/Si diffusion couples: Origin of Anisotropic Lithiation of Crystalline Si in Li–Si batteries”, Scientific reports (IF: 4.379), 7(1): 14028
22. Y. W. Byeon†, Y. S. Choi†, J. P. Ahn, J. C. Lee * : “Origin of high Coulombic loss during sodiation in Na-Sn battery”, Journal of Power Sources (IF: 9.127), 343:513-519
23. Y.S. Choi†, Y. W. Byeon†, J. P. Ahn, J. C. Lee * : “Formation of Zintl ions and their configurational change during sodiation in Na–Sn battery”, Nano letters (IF: 11.189), 17(2): 679-686.
24. Y. W. Byeon, Y. S. Choi, J. H. Seo, K. H. Hur, J. P. Ahn, J. C. Lee * : “A simple method of analyzing the phase transition behavior of a Na-Sn battery using energy-dispersive X-ray spectroscopy”, Korean Journal of Metals and Materials (IF: 1.005), 53(12): 926-930.