| Structures and properties of self-assembled monolayers of bistable [2] rotaxanes on Au (111) surfaces from molecular dynamics simulations validated with experiment SS Jang, YH Jang, YH Kim, WA Goddard III, AH Flood, BW Laursen, ... Journal of the American Chemical Society 127 (5), 1563-1575, 2005 | 241 | 2005 |
| Modulation of the electronic properties of MXene (Ti3C2Tx) via surface-covalent functionalization with diazonium H Jing, H Yeo, B Lyu, J Ryou, S Choi, JH Park, BH Lee, YH Kim, S Lee ACS Nano 15 (1), 1388-1396, 2021 | 160 | 2021 |
| Excitonic optical spectrum of semiconductors obtained by time-dependent density-functional theory with the exact-exchange kernel YH Kim, A Görling Physical Review Letters 89 (9), 096402, 2002 | 158 | 2002 |
| Extremely large gate modulation in vertical graphene/WSe2 heterojunction barristor based on a novel transport mechanism J Shim, HS Kim, YS Shim, DH Kang, HY Park, J Lee, J Jeon, SJ Jung, ... Advanced Materials 28 (26), 5293–5299, 2016 | 117 | 2016 |
| An optogenetics‐inspired flexible van der Waals optoelectronic synapse and its application to a convolutional neural network S Seo, JJ Lee, RG Lee, TH Kim, S Park, S Jung, HK Lee, M Andreev, ... Advanced Materials 33 (40), 2102980, 2021 | 115 | 2021 |
| Molecular dynamics simulation of amphiphilic bistable [2] rotaxane Langmuir monolayers at the air/water interface SS Jang, YH Jang, YH Kim, WA Goddard III, JW Choi, JR Heath, ... Journal of the American Chemical Society 127 (42), 14804-14816, 2005 | 112 | 2005 |
| Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior YH Kim, A Görling Physical Review B 66 (3), 035114, 2002 | 107 | 2002 |
| Edge-selenated graphene nanoplatelets as durable metal-free catalysts for iodine reduction reaction in dye-sensitized solar cells MJ Ju, I Jeon, HM Kim, JI Choi, S Jung, J Seo, IT Choi, SH Kang, HS Kim, ... Science Advances 2 (6), e1501459, 2016 | 106 | 2016 |
| Coherent lattice vibrations in mono- and few-layer WSe2 TY Jeong, BM Jin, SH Rhim, L Debbichi, J Park, YD Jang, HR Lee, ... ACS Nano 10 (5), 5560-5566, 2016 | 103 | 2016 |
| Insight into the microenvironments of the metal-ionic liquid interface during electrochemical CO2 reduction HK Lim, Y Kwon, HS Kim, J Jeon, YH Kim, JA Lim, BS Kim, J Choi, H Kim ACS Catalalysis 8 (3), 2420, 2018 | 99 | 2018 |
| Two-dimensional limit of exchange-correlation energy functional approximations YH Kim, IH Lee, S Nagaraja, JP Leburton, RQ Hood, RM Martin Physical Review B 61 (8), 5202, 2000 | 96 | 2000 |
| First-principles study of the switching mechanism of [2] catenane molecular electronic devices YH Kim, SS Jang, YH Jang, WA Goddard III Physical Review Letters 94 (15), 156801, 2005 | 91 | 2005 |
| Density functional theory studies of the [2] rotaxane component of the Stoddart−Heath molecular switch YH Jang, S Hwang, YH Kim, SS Jang, WA Goddard Journal of the American Chemical Society 126 (39), 12636-12645, 2004 | 85 | 2004 |
| Ab initio study of the effect of water adsorption on the carbon nanotube field-effect transistor D Sung, S Hong, YH Kim, N Park, S Kim, SL Maeng, KC Kim Applied Physics Letters 89 (24), 243110, 2006 | 81 | 2006 |
| Electronic and magnetic properties of carbide MXenes—the role of electron correlations S Bae, YG Kang, M Khazaei, K Ohno, YH Kim, MJ Han, KJ Chang, ... Materials Today Advances 9, 100118, 2021 | 80 | 2021 |
| Origins of genuine Ohmic van der Waals contact between indium and MoS2 BK Kim, TH Kim, DH Choi, H Kim, K Watanabe, T Taniguchi, H Rho, ... npj 2D Materials and Applications 5 (1), 9, 2021 | 79 | 2021 |
| HfO2/HfS2 hybrid heterostructure fabricated via controllable chemical conversion of two-dimensional HfS2 S Lai, S Byeon, SK Jang, J Lee, BH Lee, JH Park, YH Kim, S Lee Nanoscale 10 (39), 18758-18766, 2018 | 76 | 2018 |
| Density-functional study of small molecules within the Krieger-Li-Iafrate approximation YH Kim, M Städele, RM Martin Physical Review A 60 (5), 3633, 1999 | 76 | 1999 |
| First-principles approach to the charge-transport characteristics of monolayer molecular-electronics devices: Application to hexanedithiolate devices YH Kim, J Tahir-Kheli, PA Schultz, WA Goddard III Physical Review B 73 (23), 235419, 2006 | 72 | 2006 |
| Shell-filling effects and Coulomb degeneracy in planar quantum dot structures S Nagaraja, P Matagne, VY Thean, JP Leburton, YH Kim, RM Martin Physical Review B 56 (24), 15752, 1997 | 68* | 1997 |
William A Goddard IIIProfessor Chemistry, Materials Science, Applied PhysicsVerified email at caltech.edu
