Sung-Yup Kim, Ph.D. - Publications
Affiliations: | 2013 | Mechanical Engineering | Pennsylvania State University, State College, PA, United States |
Area:
Mechanical Engineering, Geochemistry, Physical ChemistryYear | Citation | Score | |||
---|---|---|---|---|---|
2013 | Kim SY, van Duin AC. 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. PMID 23750609 DOI: 10.1021/Jp4031943 | 0.336 | |||
2013 | Kim SY, Kumar N, Persson P, Sofo J, van Duin AC, Kubicki JD. Development of a ReaxFF reactive force field for titanium dioxide/water systems. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 7838-46. PMID 23687907 DOI: 10.1021/La4006983 | 0.47 | |||
2013 | Kim SY, Van Duin ACT, Kubicki JD. 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. DOI: 10.1557/Jmr.2012.367 | 0.462 | |||
2013 | Raju M, Kim SY, Van Duin ACT, Fichthorn KA. ReaxFF reactive force field study of the dissociation of water on titania surfaces Journal of Physical Chemistry C. 117: 10558-10572. DOI: 10.1021/Jp402139H | 0.363 | |||
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