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Sangheon Lee - Publications

Affiliations: 
2004-2010 Chemical Engineering University of Texas at Austin, Austin, Texas, U.S.A. 
 2011-2013 Computational Materials Design Max Planck Institute for Iron Research 
 2013-2015 National Research Agenda KIST (Korea Institute of Science and Technology) 
 2016- Chemical Engineering Ewha Womans University, Seoul, South Korea 
Website:
https://sites.google.com/view/sangheon-lee-research
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28 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
2019 Lee S, Lim H, Lee S. Ab Initio-Based Structural and Thermodynamic Aspects of the Electrochemical Lithiation of Silicon Nanoparticles Catalysts. 10: 8. DOI: 10.3390/Catal10010008  0.316
2019 Lee S, Hwang GS. Structure and Stability of Small Self-interstitial Clusters in Si: Prediction by First Principles-based Monte Carlo Simulations Ecs Transactions. 6: 339-344. DOI: 10.1149/1.2727418  0.318
2017 Cho J, Lee S, Yoon SP, Han J, Nam SW, Lee K, Ham HC. Role of Heteronuclear Interactions in Selective H2 Formation from HCOOH Decomposition on Bimetallic Pd/M (M = Late Transition FCC Metal) Catalysts Acs Catalysis. 7: 2553-2562. DOI: 10.1021/Acscatal.6B02825  0.333
2016 Lee S, Cho J, Jang JH, Han J, Yoon SP, Nam SW, Lim TH, Ham HC. Impact of d-Band Occupancy and Lattice Contraction on Selective Hydrogen Production from Formic Acid in the Bimetallic Pd3M (M = Early Transition 3d Metals) Catalysts Acs Catalysis. 6: 134-142. DOI: 10.1021/Acscatal.5B01691  0.317
2015 Cho J, Lee S, Han J, Yoon SP, Nam SW, Choi SH, Hong SA, Lee KY, Ham HC. Enhanced Selectivity to H2 Formation in Decomposition of HCOOH on the Ag19@Pd60 Core-Shell Nanocluster from First-Principles. Journal of Nanoscience and Nanotechnology. 15: 8233-7. PMID 26726494 DOI: 10.1166/Jnn.2015.11442  0.699
2014 Cho J, Lee S, Han J, Yoon SP, Nam SW, Choi SH, Lee KY, Ham HC. Importance of ligand effect in selective hydrogen formation via formic acid decomposition on the bimetallic Pd/Ag catalyst from first-principles Journal of Physical Chemistry C. 118: 22553-22560. DOI: 10.1021/Jp5050817  0.309
2013 Kim MS, Lee SH, Yoon H, Jung JH, Leem JY. Effects of post-annealing on structural and optical properties of a-axis oriented ZnO nanorods. Journal of Nanoscience and Nanotechnology. 13: 6236-9. PMID 24205636 DOI: 10.1166/Jnn.2013.7688  0.314
2011 Bondi RJ, Lee S, Hwang GS. First-principles study of the structural, electronic, and optical properties of oxide-sheathed silicon nanowires. Acs Nano. 5: 1713-23. PMID 21366232 DOI: 10.1021/Nn102232U  0.686
2011 Bondi RJ, Lee S, Hwang GS. First-Principles Prediction of Optical Absorption Enhancement for Si Native Defect Clusters under Biaxial Strain Electrochemical and Solid State Letters. 14: 1. DOI: 10.1149/1.3511714  0.655
2011 Lee S, Bondi RJ, Hwang GS. Ab initio parameterized valence force field for the structure and energetics of amorphous SiO x (0⩽x⩽2) materials Physical Review B. 84: 45202. DOI: 10.1103/Physrevb.84.045202  0.649
2011 Lee Y, Lee S, Hwang GS. Effects of vacancy defects on thermal conductivity in crystalline silicon: A nonequilibrium molecular dynamics study Physical Review B. 83. DOI: 10.1103/Physrevb.83.125202  0.721
2011 Lee S, Hwang GS. Valence force field-based Monte Carlo bond-rotation method for the determination of sp2-bonded carbon structures Journal of Applied Physics. 110: 93524. DOI: 10.1063/1.3660383  0.586
2011 Lee S, Bondi RJ, Hwang GS. Atomistic structural description of the Si(001)/a-SiO2 interface: The influence of different Keating-like potential parameters Journal of Applied Physics. 109: 113519. DOI: 10.1063/1.3581110  0.657
2010 Bondi RJ, Lee S, Hwang GS. Role of structural disorder in optical absorption in silicon Physical Review B. 82: 115214. DOI: 10.1103/Physrevb.82.115214  0.584
2010 Bondi RJ, Lee S, Hwang GS. Strain effects on the stability and structure of vacancy clusters in Si: A first-principles study Physical Review B. 81: 245206. DOI: 10.1103/Physrevb.81.245206  0.683
2010 Bondi RJ, Lee S, Hwang GS. First-principles study of the mechanical and optical properties of amorphous hydrogenated silicon and silicon-rich silicon oxide Physical Review B. 81: 195207. DOI: 10.1103/Physrevb.81.195207  0.614
2009 Lee S, Bondi RJ, Hwang GS. Formation and structure of vacancy defects in silicon: Combined metropolis monte carlo, tight-binding molecular dynamics, and density functional theory calculations Physical Review B. 80: 245209. DOI: 10.1103/Physrevb.80.245209  0.686
2009 Bondi RJ, Lee S, Hwang GS. Theoretical characterization of silicon self-interstitial clusters in uniform strain fields Physical Review B. 80: 125202. DOI: 10.1103/Physrevb.80.125202  0.685
2009 Bondi RJ, Lee S, Hwang GS. Biaxial strain effects on the structure and stability of self-interstitial clusters in silicon Physical Review B. 79: 104106. DOI: 10.1103/Physrevb.79.104106  0.655
2009 Lee S, Bondi RJ, Hwang GS. Integrated atomistic modelling of interstitial defect growth in silicon Molecular Simulation. 35: 867-879. DOI: 10.1080/08927020902929802  0.671
2009 Bondi RJ, Lee S, Hwang GS. Prediction of the formation of stable periodic self-interstitial cluster chains [(I4)m,m=1–4] in Si under biaxial strain Applied Physics Letters. 94: 264101. DOI: 10.1063/1.3160545  0.667
2008 Kuo CL, Lee S, Hwang GS. Strain-induced formation of surface defects in amorphous silica: a theoretical prediction. Physical Review Letters. 100: 076104. PMID 18352574 DOI: 10.1103/Physrevlett.100.076104  0.676
2008 Lee S, Hwang GS. Theoretical determination of stable fourfold coordinated vacancy clusters in silicon Physical Review B. 78: 125310. DOI: 10.1103/Physrevb.78.125310  0.653
2008 Lee S, Hwang GS. Growth and shape transition of small silicon self-interstitial clusters Physical Review B. 78: 45204. DOI: 10.1103/Physrevb.78.045204  0.676
2008 Lee S, Hwang GS. Structure and stability of small compact self-interstitial clusters in crystalline silicon Physical Review B. 77: 85210. DOI: 10.1103/Physrevb.77.085210  0.66
2008 Kuo CL, Lee S, Hwang GS. Structure and dynamics of silicon-oxygen pairs and their role in silicon self-diffusion in amorphous silica Journal of Applied Physics. 104: 54906. DOI: 10.1063/1.2974757  0.636
2007 Yu D, Lee S, Hwang GS. On the origin of Si nanocrystal formation in a Si suboxide matrix Journal of Applied Physics. 102: 84309. DOI: 10.1063/1.2800268  0.651
2006 Lee S, Yu D, Hwang GS. Understanding of the synthesis and structure of Si nanocrystals in an oxide matrix from first principles based atomistic modeling Mrs Proceedings. 958: 301-306. DOI: 10.1557/Proc-0958-L08-10  0.625
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