"Enter, scholar of the arcane. Herein lies my forbidden treatise, a document of unspeakable lore and cosmic horrors. May your mind remain intact as you delve into the mysteries of the Great Old Ones."
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18. Sulfate, m-terphenyl, o-terphenyl, and fluorene on Pt surface (Temporary name, cooperation with MPA-11 group, Los Alamos National Laboratory, USA)
17. Energy Barrier of Ozone decomposition (Temporary name, cooperation with experiment, Korea University)
16. Yong-Jun Choi†, Hengquan Guo†, Jongmin Han, Jungho Han, Min Hyeong Lee, Danah Kim, Jongbeom Kim, Jinkyu Yang, Dongryeol Lee, Dongeun Ki, Young Chul Jun, Seung Geol Lee*, and Myoung Hoon Song*, Structural Distortion-Driven Chirality Transfer and Circularly Polarized Light Emission in Quasi-2D Perovskites Based Light-Emitting Diodes (Co-first author, Cooperation with experiment, UNIST, Accepted by Advanced Functional Materials)
15. Ji-Oh Kim†, Hengquan Guo†, Seonghee Kim, Jae Bin Park, Seongwook Chae, Taekyun Kwon, Seungjo Hong, Byeong Jin Kim, Guadalupe Arturo De la Garza Gonzalez, Minjoon Park, Jae Ho Kim, Oi Lun Li, Seung Geol Lee, Jin Hong Lee, Modulating Interfacial Potential Gradients in Metal−Carbon Catalysts via Phase-Engineering for Lithium–Sulfur Batteries, Advanced Functional Materials (2025): e25392. DOI: 10.1002/adfm.202525392
[Co-first author]
14. Youngdon Ko, Hengquan Guo, Luigi Osmieri, Hanguang Zhang, Piotr Połczyński, Santosh Adhikari, Seung Geol Lee, Yu Seung Kim, Piotr Zelenay, Effect of Ionomer on CO2 Reduction at Atomically Dispersed Ni-N-C Catalyst, Small 2025. e11445. DOI: 10.1002/smll.202511445.
[Co-work with MPA-11 group, Los Alamos National Laboratory, USA]
13. Hoon Oh†, Hengquan Guo†, Myoung Won Chung, Gun-Hee Moon, Keun Hwa Chae, Yong-Yoon Ahn, Yunho Lee, Changha Lee, Seunghyun Weon, Seung Geol Lee* and Jaesang Lee, Identifying a catalytic center in metal-carbon composites for O3 and persulfate activation: Active site switching between carbon and metal phases. Applied Catalysis B: Environment and Energy, Volume 383, 2026, 126048, ISSN 0926-3373, DOI: 10.1016/j.apcatb.2025.126048.
[Co-first author, Co-work with Korea University]
12. Jongbeom Kim†, Ye In Kim†, Hengquan Guo†, Dongryeol Lee, Jinkyu Yang, Dongeun Kim, Su Seok Choi, Junzhi Ye, Robert L. Z. Hoye d, Robert A. Taylor, Seung Geol Lee. Myoung Hoon Song, Toward Stable α-CsPbI3 Quantum Dots via Dual-Functional Fluorinated Acidic Ligand, ACS Energy Lett. 2025, 10, 9, 4402–4409, DOI: 10.1021/acsenergylett.5c01958
[Co-first author, Co-work with UNIST & University of Oxford (Clarendon Laboratory)]
11. Taewoong Lee†, Seongwook Chae†, Hengquan Guo, Byeong Jin Kim, Jae Bin Park, Woo Sub Heo, Seunggun Yu, Jun-Woo Park, Tae Hyun Park, Jin Hong Lee, Seung Geol Lee,Tailoring surface chemistry of MXene/Cationic dye hybrids for enhancing electrocatalytic adsorption and conversion of polysulfide in lithium sulfur batteries, Journal of Power Sources, Volume 657, 2025, 238144, ISSN 0378-7753, DOI: 10.1016/j.jpowsour.2025.238144
10. Hengquan Guo, Seung Geol Lee, Machine Learning-Guided Discovery of Thermodynamically Stable Single-Atom Catalysts on Functionalized MXenes for Enhanced Oxygen Reduction and Evolution Reactions, Journal of Materials Chemistry A, 2025,13, 22730-22744, DOI: 10.1039/D5TA02929E
9. Hengquan Guo, Sung Gu Kang, Seung Geol Lee, Screening single/dual-atom oxidation of ammonia electrocatalysts on sulfur functionalized MXene: A first-principles approach, International Journal of Hydrogen Energy, Volume 138, 2025, Pages 745-754, ISSN 0360-3199, DOI: 10.1016/j.ijhydene.2025.05.178.
8. Tan Phat Pham, Minh Tam Le, Minh Dang Le, Hoang Anh Nguyen, Hengquan Guo, Seung Geol Lee, Hsueh-Shih Chen, Nguyet N.T. Pham, Single – atom Fe/N-embedded graphdiyne as catalysts for hydrogen evolution reaction: A DFT approach, International Journal of Hydrogen Energy, Volume 130, 2025, Pages 402-410, ISSN 0360-3199. DOI: 10.1016/j.ijhydene.2025.04.136.
7. Kwon, Taekyun†; Guo, Hengquan†; Kim, Ji-Oh; Chae, Seongwook ; Lim, Eun Young; Park, Jae Bin ; Lee, Eunsol; Choi, Inhye; Kim, Byeong Jin; Lee, You-Jin; Lee, Seung Geol; Lee, Jin Hong, Enhanced Polysulfides Immobilization and Structural Integrity of Sulfur Cathode via Rational Designed Binder with Polysulfides-Affinitive Cationic Moieties and Robust Network Structures, Small 2024, 2407224. DOI: 10.1002/smll.202407224.
[Co-first author, Co-work with Pusan National University]
6. Guo, H.; Pham, N. N. T.; Park, J. S.; Lee, S. G. Investigation of the Structure and Optical Properties of Polymethine-Based NIR-II Fluorophores Using Many-Body Perturbation Theory: GW-BSE Approaches. The Journal of Physical Chemistry A 2024, 128, 44, 9664–9669. DOI: 10.1021/acs.jpca.4c06115.
5. Kim, Y.; Nussbaum, S.; Chen, D.; Grandjean, N.; Scopelliti, R.; Guo, H.; Lee, S. G.; Cho, H.-H.; Yum, J.-H.; Sivula, K. Decoupling Interlayer Spacing and Cation Dipole on Exciton Binding Energy in Layered Halide Perovskites. Chemistry of Materials 2024, 36 (20), 10133-10141. DOI: 10.1021/acs.chemmater.4c01527.
[Co-work with École Polytechnique Fédérale de Lausanne (EPFL), Switzerland]
4. Pham, N. N. T.; Nguyen, V. K. T.; Guo, H.; Lee, S. G. Influence of phosphorus-doped bilayer graphene configuration on the oxygen reduction reaction in acidic solution. Carbon 2023, 210, 118012. DOI: 10.1016/j.carbon.2023.118012.
3. Pham, N. N. T.; Luong, X.-H.; Guo, H.; Park, J. S.; Lee, S. G. Investigation of near-infrared absorption properties by the GW–BSE method in heptamethine pyrylium dyes. New Journal of Chemistry 2023, 47 (21), 10227-10235, 10.1039/D3NJ01333B. DOI: 10.1039/D3NJ01333B.
2. Guo, H.; Gu Kang, S.; Geol Lee, S. First-principles Density Functional Theory Elucidation of the Hydrogen Evolution Reaction on TM-promoted TiC(2) (TM=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au). ChemPhysChem 2023, 24 (8), e202200823. DOI: 10.1002/cphc.202200823.
[Selected as the FRONT COVER of the issue: ChemPhysChem, 24, e202300194 (2023).]
1. Guo, H. Q.; Kang, S. G.; Lee, S. G. Exploring two-dimensional carbides as highly active catalysts for the oxygen reduction reaction: A density functional theory approach. Applied Surface Science, Volume 599, 2022, 153907, ISSN 0169-4332. DOI: 10.1016/j.apsusc.2022.153907.
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