CENECI Publications

Hydrogen Adsorption, Absorption, and Diffusion On and In Transition Metal Surfaces: a DFT Study, P. Ferrin, S. Kandoi, A. U. Nilekar, M. Mavrikakis, Surface Science, 606, 679-689 (2012).

CO₂ Hydrogenation on Ni(110), G. Peng, S. J. Sibener, G. Schatz, M. Mavrikakis, Surface Science, submitted (2011).

CO₂ Hydrogenation to Formic Acid on Ni(111), G. Peng, S. J. Sibener, G. Schatz, S. T. Ceyer, M. Mavrikakis, J. Phys. Chem. C, 116, 3001-3006 (2012).

DF-TB Molecular Dynamics Studies of the Reactions of Subsurface Hydrogen Atoms with CO₂ and Ethylene on Ni(110). B. Saha, G. C. Schatz, G. Peng and M. Mavrikakis, Surface Science, submitted.

Structural Defects in Periodic and Quasicrystalline Binary Nanocrystal Superlattices, M. I. Bodnarchuk, E. V. Shevchenko, D. V. Talapin. J. Am. Chem. Soc., 133, 20837–20849 (2011).

Oxidation and Etching of CVD Diamond by Thermal and Hyperthermal Atomic Oxygen, Z. Shpilman, I. Gouzman, E. Grossman, L. Shen, T. K. Minton, J. T. Paci, G. C. Schatz, R. Akhvlediani, and A. Hoffman, J. Phys. Chem. C 114, 18996-19003 (2010).

Theoretical Studies of the Erosion of (100) and (111) Diamond Surfaces by Hyperthermal O(³P), J.T. Paci, G. C. Schatz and T. K. Minton, J. Phys. Chem. C 115, 14770-14777 (2011).

Reactions of Solvated Electrons Initiated by Sodium Atom Ionization at the Vacuum-Liquid Interface. W. A. Alexander, J. P. Wiens, T. K. Minton, and G. M. Nathanson, Science, In Press, (2012).

Energetic Ballistic Deposition of Volatile Gases into Ice, K. D. Gibson, Daniel R. Killelea, James S. Becker, Hanqiu Yuan, and S. J. Sibener, Chem. Phys. Lett., In Press (2012).

Scattering of High Incident Energy Kr and Xe From Ice: Evidence that a Major Channel Involves Penetration into the Bulk, K. D. Gibson, Daniel R. Killelea, Hanqiu Yuan, James S. Becker, Subha Pratihar, Paranjothy Manikandanand, W. L. Hase, and S. J. Sibener, J. Phys. Chem. C, submitted (2011).

Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf₂] and [C₁₂mim][NTf₂], B. Wu, J. Zhang, T. K. Minton, K. G. McKendrick, J. M. Slattery, S. Yockel and G. C. Schatz, J. Phys. Chem. C 114, 4015-27 (2010).

State-resolved scattering from room-temperature ionic liquids: the role of cation versus anion structure at the interfaces, J. R. Roscioli and D. J. Nesbitt, J. Phys. Chem. A 115, 9764-9773 (2011).

Atomic oxygen effectos on POSS polyimides in low Earth orbit, Timothy K. Minton, Michael E. Wright, Sandra J. Tomczak, Sara A. Marqez, Linhan Shen, Amy L. Brunsvold, Russell Cooper, Jianming Zhang, Vandana Vij, Andrew J. Guenther, and Brian J. Petteys, ACS Appl. Mater. Interfaces, published online, 21 December 2011, DOI: 10.1021/am201509n.

Inelastic scattering of radicals from an ionic liquid surface: Probing the surface structure of [bmim][Cl], [bmim][BF₄], and [bmim][Tf₂N] by rotationally and electronically inelastic scattering of NO [₂P_1/2(0.5)], M. P. Ziemkiewicz, A. Zutz, and D. J. Nesbitt, J. Phys. Chem. C, submitted (2011).

QM/MM Studies of CO₂ Rotational Excitation in Collisions with Ionic Liquid Surfaces. X. Li, G. C. Schatz and D. J. Nesbitt, J. Phys. Chem. B, accepted (2012).

Hyperthermal oxidation of graphite and diamond, Jeffrey T. Paci, Timothy K. Minton, and George Schatz, Accts. Chem. Research, in revision (2012).

Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactions, Scot Yockel and George C. Schatz, Top. Curr. Chem., 307, 43-68 (2012). DOI: 10.1007/128.2011.130.

Dynamics of Ar and CO₂ scattering on liquid and self-assembled monolayer surfaces, Willam A. Alexander, Linhan Shen, Jianming Zhang, Gilbert M. Nathanson, and Timothy K. Minton, Faraday Discussions 157: Molecular Reaction Dynamics in Gases, Liquids and Interfaces, submitted (2012).