Sung-Yup Kim, Ph.D.

2013 Mechanical Engineering Pennsylvania State University, State College, PA, United States 
Mechanical Engineering, Geochemistry, Physical Chemistry
"Sung-Yup Kim"


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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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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
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