| Unraveling the atomistic sodiation mechanism of black phosphorus for sodium ion batteries by first-principles calculations K Hembram, H Jung, BC Yeo, SJ Pai, S Kim, KR Lee, SS Han The Journal of Physical Chemistry C 119 (27), 15041-15046, 2015 | 152 | 2015 |
| Facile control of defect site density and particle size of UiO-66 for enhanced hydrolysis rates: insights into feasibility of Zr (IV)-based metal-organic framework (MOF) catalysts KY Cho, JY Seo, HJ Kim, SJ Pai, XH Do, HG Yoon, SS Hwang, SS Han, ... Applied Catalysis B: Environmental 245, 635-647, 2019 | 90 | 2019 |
| A comparative first-principles study of the lithiation, sodiation, and magnesiation of black phosphorus for Li-, Na-, and Mg-ion batteries KPSS Hembram, H Jung, BC Yeo, SJ Pai, HJ Lee, KR Lee, SS Han Physical Chemistry Chemical Physics 18 (31), 21391-21397, 2016 | 79 | 2016 |
| Simulation protocol for prediction of a solid-electrolyte interphase on the silicon-based anodes of a lithium-ion battery: ReaxFF reactive force field KS Yun, SJ Pai, BC Yeo, KR Lee, SJ Kim, SS Han The journal of physical chemistry letters 8 (13), 2812-2818, 2017 | 61 | 2017 |
| Development of the ReaxFF CBN reactive force field for the improved design of liquid CBN hydrogen storage materials SJ Pai, BC Yeo, SS Han Physical Chemistry Chemical Physics 18 (3), 1818-1827, 2016 | 33 | 2016 |
| Activity, selectivity, and durability of ruthenium nanoparticle catalysts for ammonia synthesis by reactive molecular dynamics simulation: The size effect SY Kim, HW Lee, SJ Pai, SS Han ACS applied materials & interfaces 10 (31), 26188-26194, 2018 | 28 | 2018 |
| Highly selective and sensitive detection of Cr6+ ions using size-specific label-free gold nanoparticles R Kanagaraj, YS Nam, SJ Pai, SS Han, KB Lee Sensors and Actuators B: Chemical 251, 683-691, 2017 | 26 | 2017 |
| Ionic conductivities of solid polymer electrolyte/salt systems for lithium secondary battery SJ Pai, YC Bae, YK Sun Polymer 46 (9), 3111-3118, 2005 | 25 | 2005 |
| ReaxFF Molecular Dynamics Simulations of Water Stability of Interpenetrated Metal–Organic Frameworks XY Liu, SJ Pai, SS Han The Journal of Physical Chemistry C 121 (13), 7312-7318, 2017 | 16 | 2017 |
| Rapid-Response and Highly Sensitive Boronate Derivative-Based Fluorescence Probe for Detecting H2O2 in Living Cells M Selvaraj, K Rajalakshmi, YS Nam, Y Lee, BC Kim, SJ Pai, SS Han, ... Journal of Analytical Methods in Chemistry 2019, 2019 | 10 | 2019 |
| Understanding physical properties of hydrocarbon polymers using an equation of state developed from semi soft core potential function SJ Pai, YC Bae Fluid phase equilibria 317, 15-24, 2012 | 9 | 2012 |
| Improved description of a coordinate bond in the ReaxFF reactive force field SJ Pai, HW Lee, SS Han The Journal of Physical Chemistry Letters 10 (22), 7293-7299, 2019 | 8 | 2019 |
| Reactive molecular dynamics simulation of the amorphous carbon growth: Effect of the carbon triple bonds X Li, H Mizuseki, SJ Pai, KR Lee Computational Materials Science 169, 109143, 2019 | 8 | 2019 |
| Ab initio potential energy surface for methane and carbon dioxide and application to vapor-liquid coexistence SJ Pai, YC Bae The Journal of Chemical Physics 141 (6), 2014 | 8 | 2014 |
| Fourth order virial equation of state for spherical molecules using semi-soft core potential function SJ Pai, YC Bae Fluid Phase Equilibria 338, 245-252, 2013 | 7 | 2013 |
| Electrochemical properties for solid polymer electrolyte/salt systems in lithium secondary batteries SJ Pai, YC Bae, YK Sun Journal of the Electrochemical Society 152 (5), A864, 2005 | 6 | 2005 |
| SE2 reaction in noncarbon system: Metal-halide catalysis for dehydrogenation of ammonia borane SJ Pai, SS Han Proceedings of the National Academy of Sciences 114 (52), 13625-13630, 2017 | 5 | 2017 |
| Mathematical modeling of the phase behaviors of solid‐polymer‐electrolyte/salt systems in lithium secondary batteries: The nonrandomness effect SJ Pai, YC Bae, SH Kong, SO Ryu Journal of applied polymer science 94 (1), 231-237, 2004 | 4 | 2004 |
| Solubility of solids in supercritical fluid using the hard-body expanded virial equation of state SJ Pai, YC Bae Fluid Phase Equilibria 362, 11-18, 2014 | 3 | 2014 |
| Theoretical consideration of osmotic pressure in aqueous protein/salt systems based on extended hard core Lennard-Jones potential SJ Pai, YC Bae The Journal of chemical physics 133 (15), 2010 | 3 | 2010 |
