Sung-Yup Kim, Ph.D.
Affiliations: | 2013 | Mechanical Engineering | Pennsylvania State University, State College, PA, United States |
Area:
Mechanical Engineering, Geochemistry, Physical ChemistryGoogle:
"Sung-Yup Kim"Parents
Sign in to add mentor| James D. Kubicki | grad student | 2013 | Penn State | |
| (Development of a ReaxFF reactive force field for titanium dioxide/water systems and its applications to etching, nanoparticles with organic solvents and ion adsorptions on nanocrystalline surfaces.) | ||||
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Publications
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| Kim SY, van Duin AC. (2013) Simulation of titanium metal/titanium dioxide etching with chlorine and hydrogen chloride gases using the ReaxFF reactive force field. The Journal of Physical Chemistry. A. 117: 5655-63 |
| Kim SY, Kumar N, Persson P, et al. (2013) Development of a ReaxFF reactive force field for titanium dioxide/water systems. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 7838-46 |
| Kim SY, Van Duin ACT, Kubicki JD. (2013) Molecular dynamics simulations of the interactions between TiO2 nanoparticles and water with Na+ and Cl-, methanol, and formic acid using a reactive force field Journal of Materials Research. 28: 513-520 |
| Raju M, Kim SY, Van Duin ACT, et al. (2013) ReaxFF reactive force field study of the dissociation of water on titania surfaces Journal of Physical Chemistry C. 117: 10558-10572 |