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Fundamental and Computational Sciences Directorate

Staff information

R. Scott Smith

Physical Sciences
Chemist, Team Lead
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-88
Richland, WA 99352

PNNL Publications

2018

  • Smith R.S., and B.D. Kay. 2018. "Desorption Kinetics of Benzene and Cyclohexane from a Graphene Surface." Journal of Physical Chemistry B 122, no. 2:587-594. PNNL-SA-126505. doi:10.1021/acs.jpcb.7b05102

2017

  • Chen L., R.S. Smith, B.D. Kay, and Z. Dohnalek. 2017. "Direct Deoxygenation of Phenylmethanol to Methylbenzene and Benzyl Radicals on Rutile TiO2(110)." ACS Catalysis 7, no. 3:2002-2006. PNNL-SA-123534. doi:10.1021/acscatal.6b03225
  • Yuan C., R.S. Smith, and B.D. Kay. 2017. "Communication: Distinguishing between bulk and interface-enhanced crystallization in nanoscale films of amorphous solid water." Journal of Chemical Physics 146, no. 3:031102. PNNL-SA-122506. doi:10.1063/1.4974492

2016

  • Chen L., R.S. Smith, B.D. Kay, and Z. Dohnalek. 2016. "Adsorption of Small Hydrocarbons on Rutile TiO2(110)." Surface Science 650. PNNL-SA-113158. doi:10.1016/j.susc.2015.11.002
  • Smith R.S., R.A. May, and B.D. Kay. 2016. "Desorption Kinetics of Ar, Kr, Xe, N2, O2, CO, Methane, Ethane, and Propane from Graphene and Amorphous Solid Water Surfaces." Journal of Physical Chemistry B 120, no. 8:1979-1987. PNNL-SA-114204. doi:10.1021/acs.jpcb.5b10033
  • Xu Y., C.J. Dibble, N.G. Petrik, R.S. Smith, A.G. Joly, R.G. Tonkyn, and B.D. Kay, et al. 2016. "A nanosecond pulsed laser heating system for studying liquid and supercooled liquid films in ultrahigh vacuum." Journal of Chemical Physics 144, no. 16:Article No. 164201. PNNL-SA-115728. doi:10.1063/1.4947304
  • Xu Y., C.J. Dibble, N.G. Petrik, R.S. Smith, B.D. Kay, and G.A. Kimmel. 2016. "Complete wetting of Pt(111) by nanoscale liquid water films." Journal of Physical Chemistry Letters 7, no. 3:541-547. PNNL-SA-114918. doi:10.1021/acs.jpclett.5b02748
  • Yuan C., R.S. Smith, and B.D. Kay. 2016. "Surface and Bulk Crystallization of Amorphous Solid Water Films: Confirmation of “Top-Down” Crystallization." Surface Science 652. PNNL-SA-114712. doi:10.1016/j.susc.2015.12.037

2015

  • Smith R.S., R.A. May, and B.D. Kay. 2015. "Probing Toluene and Ethylbenzene Stable Glass Formation using Inert Gas Permeation." Journal of Physical Chemistry Letters 6, no. 18:3639-3644. PNNL-SA-111756. doi:10.1021/acs.jpclett.5b01611
  • Thurmer K., C. Yuan, G.A. Kimmel, B.D. Kay, and R.S. Smith. 2015. "Weak interactions between water and clathrate-forming gases at low pressures." Surface Science 641. PNNL-SA-110418. doi:10.1016/j.susc.2015.07.013

2014

  • Chen L., Z. Li, R.S. Smith, B.D. Kay, and Z. Dohnalek. 2014. "Conversion of 1,2-Propylene Glycol on Rutile TiO2(110)." Journal of Physical Chemistry C 118, no. 28:15339-15347. PNNL-SA-102675. doi:10.1021/jp504770f
  • Chen L., Z. Li, R.S. Smith, B.D. Kay, and Z. Dohnalek. 2014. "Conversion of 1,3-Propylene Glycol on Rutile TiO2(110)." Journal of Physical Chemistry C 118, no. 40:23181-23188. PNNL-SA-104963. doi:10.1021/jp507787m
  • Chen L., Z. Li, R.S. Smith, B.D. Kay, and Z. Dohnalek. 2014. "Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2(110)." Journal of the American Chemical Society 136, no. 15:5559-5562. PNNL-SA-100493. doi:10.1021/ja500992b
  • Kimmel G.A., T. Zubkov, R.S. Smith, N.G. Petrik, and B.D. Kay. 2014. "Turning things downside up: Adsorbate induced water flipping on Pt(111)." Journal of Chemical Physics 141, no. 18:18C515. PNNL-SA-103931. doi:10.1063/1.4896226
  • Smith R.S., J. Matthiesen, and B.D. Kay. 2014. "Desorption Kinetics of Methanol, Ethanol, and Water from Graphene." Journal of Physical Chemistry A 118, no. 37:8242-8250. PNNL-SA-100492. doi:10.1021/jp501038z
  • Smith R.S., Z. Li, L. Chen, Z. Dohnalek, and B.D. Kay. 2014. "Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on TiO2(110)." Journal of Physical Chemistry B 118, no. 28:8054-8061. PNNL-SA-100691. doi:10.1021/jp501131v
  • Smith R.S., Z. Li, Z. Dohnalek, and B.D. Kay. 2014. "Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on Forsterite, Mg2SiO4(011)." Journal of Physical Chemistry C 118, no. 50:29091-29100. PNNL-SA-102294. doi:10.1021/jp504187y

2013

  • May R.A., R.S. Smith, and B.D. Kay. 2013. "Mobility of Supercooled liquid Toluene, Ethylbenzene, and Benzene near their Glass Transition Temperatures Investigated using Inert Gas Permeation." Journal of Physical Chemistry A 117, no. 46:11881-11889. PNNL-SA-94553. doi:10.1021/jp403093e
  • May R.A., R.S. Smith, and B.D. Kay. 2013. "The Release of Trapped Gases from Amorphous Solid Water Films: I. “Top-Down” Crystallization-Induced Crack Propagation Probed using the Molecular Volcano." Journal of Chemical Physics 138, no. 10:Article No. 104501. PNNL-SA-92035. doi:10.1063/1.4793311
  • May R.A., R.S. Smith, and B.D. Kay. 2013. "The Release of Trapped Gases from Amorphous Solid Water Films: II. “Bottom-Up” Induced Desorption Pathways." Journal of Chemical Physics 138, no. 10:Article No. 104502. PNNL-SA-92034. doi:10.1063/1.4793312

2012

  • Matthiesen J., R.S. Smith, and B.D. Kay. 2012. "Probing the Mobility of Supercooled Liquid 3-Methylpentane at Temperatures Near the Glass Transition Using Rare Gas Permeation." Journal of Chemical Physics 137, no. 6:Article No. 064509. PNNL-SA-88492. doi:10.1063/1.4743902
  • May R.A., R.S. Smith, and B.D. Kay. 2012. "The Molecular Volcano Revisited: Determination of Crack Propagation and Distribution During the Crystallization of Nanoscale Amorphous Solid Water Films." The Journal of Physical Chemistry Letters 3, no. 3:327-331. PNNL-SA-84679. doi:10.1021/jz201648g
  • Smid B., Z. Li, A. Dohnalkova, B.W. Arey, R.S. Smith, V. Matolin, and B.D. Kay, et al. 2012. "Characterization of Nanoporous WO3 Films Grown via Ballistic Deposition." Journal of Physical Chemistry C 116, no. 19:10649-10655. PNNL-SA-85761. doi:10.1021/jp3015723
  • Smith R.S., and B.D. Kay. 2012. "Breaking Through the Glass Ceiling: Recent Experimental Approaches to Probe the Properties of Supercooled Liquids near the Glass Transition." The Journal of Physical Chemistry Letters 3, no. 6:725-730. PNNL-SA-84730. doi:10.1021/jz201710z
  • Smith R.S., N.G. Petrik, G.A. Kimmel, and B.D. Kay. 2012. "Thermal and Non-thermal Physiochemical Processes in Nanoscale Films of Amorphous Solid Water." Accounts of Chemical Research 45, no. 1:33-42. PNNL-SA-78512. doi:10.1021/ar200070w

2011

  • Ayotte P., P. Marchand, J.L. Daschbach, R.S. Smith, and B.D. Kay. 2011. "HCI Adsorption and Ionization on Amorphous and Crystalline H2O Films below 50 K." Journal of Physical Chemistry A 115, no. 23:6002-6014. PNNL-SA-76060.
  • Feibelman P.J., G.A. Kimmel, R.S. Smith, N.G. Petrik, T. Zubkov, and B.D. Kay. 2011. "A unique vibrational signature of rotated water monolayers on Pt(111): predicted and observed." Journal of Chemical Physics 134, no. 20:Article No. 204702. PNNL-SA-77579. doi:10.1063/1.3591966
  • Li Z., R.S. Smith, B.D. Kay, and Z. Dohnalek. 2011. "Determination of Absolute Coverages for Small Aliphatic Alcohols on TiO2(110)." Journal of Physical Chemistry C 115, no. 45:22534-22539. PNNL-SA-81930. doi:10.1021/jp208228f
  • Li Z., Z. Zhang, Y. Kim, R.S. Smith, F. Netzer, B.D. Kay, and R.J. Rousseau, et al. 2011. "Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111)." Journal of Physical Chemistry C 115, no. 13:5773-5783. PNNL-SA-76284. doi:10.1021/jp1108976
  • Matthiesen J., R.S. Smith, and B.D. Kay. 2011. "Mixing it up - Measuring diffusion in supercooled liquid solutions of methanol and ethanol at temperatures near the glass transition." The Journal of Physical Chemistry Letters 2, no. 6:557-561. PNNL-SA-77068. doi:10.1021/jz2000744
  • May R.A., R.S. Smith, and B.D. Kay. 2011. "Probing the Interaction of Amorphous Solid Water on a Hydrophobic Surface: Dewetting and Crystallization Kinetics of ASW on Carbon Tetrachloride." Physical Chemistry Chemical Physics. PCCP 13, no. 44:19848-19855. PNNL-SA-80571. doi:10.1039/C1CP21855G
  • Smith R.S., J. Matthiesen, J.R. Knox, and B.D. Kay. 2011. "Crystallization Kinetics and Excess Free Energy of H2O and D2O Nanoscale Films of Amorphous Solid Water." Journal of Physical Chemistry A 115, no. 23:5908-5917. PNNL-SA-76027. doi:10.1021/jp110297q

2010

  • Matthiesen J., R.S. Smith, and B.D. Kay. 2010. "Measuring Diffusivity in Supercooled Liquid Nanoscale Films using Inert Gas Permeation: II. Diffusion of AR, KR, Xe, and CH4 through Methanol." Journal of Chemical Physics 133, no. 17:174505-11. PNNL-SA-74281. doi:10.1063/1.3497648
  • Parkinson G.S., Z. Dohnalek, R.S. Smith, and B.D. Kay. 2010. "Reactivity of Fe0 Atoms with mixed CCI4 and D2O films over FeO (111)." Journal of Physical Chemistry C 114, no. 40:17136-17141. PNNL-SA-72451. doi:10.1021/jp103896k
  • Rassat S.D., C.L. Aardahl, T. Autrey, and R.S. Smith. 2010. "Thermal Stability of Ammonia Borane: A Case Study for Exothermic Hydrogen Storage Materials." Energy and Fuels 24, no. 4:2596-2606. PNNL-SA-69869. doi:10.1021/ef901430a
  • Smith R.S., J. Matthiesen, and B.D. Kay. 2010. "Breaking through the Glass Ceiling: The Correlation Between the Self-Diffusivity in and Krypton Permeation through Deeply Supercooled Liquid Nanoscale Methanol Films." Journal of Chemical Physics 132, no. 12:Art. No. 124502. PNNL-SA-69782. doi:10.1063/1.3361664
  • Smith R.S., J. Matthiesen, and B.D. Kay. 2010. "Measuring Diffusivity in Supercooled Liquid Nanoscale Films using Inert Gas Permeation: I. Kinetic Model and Scaling Methods." Journal of Chemical Physics 133, no. 17:174504-11. PNNL-SA-74222. doi:10.1063/1.3497654

2009

  • Cholette F., T. Zubkov, R.S. Smith, Z. Dohnalek, B.D. Kay, and P. Ayotte. 2009. "Infrared Spectroscopy and Optical Constants of Porous Amorphous Solid Water." Journal of Physical Chemistry B 113, no. 13:4131-4140. PNNL-SA-61796.
  • Kimmel G.A., J. Matthiesen, M. Baer, C.J. Mundy, N.G. Petrik, R.S. Smith, and Z. Dohnalek, et al. 2009. "No Confinement Needed: Observation of a Metastable Hydrophobic Wetting Two-Layer Ice on Graphene." Journal of the American Chemical Society 131, no. 35:12838-12844. PNNL-SA-65864.
  • Matthiesen J., R.S. Smith, and B.D. Kay. 2009. "Using Rare Gas Permeation to Probe Methanol Diffusion near the Glass Transition Temperature." Physical Review Letters 103, no. 24:Article Number: 245902. PNNL-SA-67478.
  • Parkinson G.S., Y.K. Kim, Z. Dohnalek, R.S. Smith, and B.D. Kay. 2009. "Reactivity of Fe-0 atoms and clusters with D2O over FeO(111)." Journal of Physical Chemistry C 113, no. 2:4960-4969. PNNL-SA-63282.
  • Parkinson G.S., Z. Dohnalek, R.S. Smith, and B.D. Kay. 2009. "Reactivity of C2Cl6 and C2Cl4 multilayers with Fe0 atoms over FeO(111)." Journal of Physical Chemistry C 113, no. 23:10233-10241. PNNL-SA-63976.
  • Parkinson G.S., Z. Dohnalek, R.S. Smith, and B.D. Kay. 2009. "Reactivity of Fe-0 Atoms, Clusters, and Nanoparticles with CC14 Multilayers on FeO(111)." Journal of Physical Chemistry C 113, no. 5:1818-1829. PNNL-SA-61984.
  • Smith R.S., T. Zubkov, Z. Dohnalek, and B.D. Kay. 2009. "The Effect of the Incident Collision Energy on the Porosity of Vapor Deposited Amorphous Solid Water Films." Journal of Physical Chemistry B 113, no. 13:4000-4007. PNNL-SA-60684.

2007

  • Smith R.S., P. Ayotte, and B.D. Kay. 2007. "Formation of Supercooled Liquid Solutions from Nanoscale Amorphous Solid Films of Methanol and Ethanol." Journal of Chemical Physics 127, no. 24:Art. No. 244705. PNNL-SA-54667.
  • Zubkov T., R.S. Smith, T.R. Engstrom, and B.D. Kay. 2007. "Adsorption, Desorption, and Diffusion of Nitrogen in a Model Nanoporous Material: I. Surface Limited Desorption Kinetics in Amorphous Solid Water." Journal of Chemical Physics 127, no. 18:Art. No. 184707. PNNL-SA-55968. doi:10.1063/1.2790432
  • Zubkov T., R.S. Smith, T.R. Engstrom, and B.D. Kay. 2007. "Adsorption, Desorption, and Diffusion of Nitrogen in a Model Nanoporous Material: II. Diffusion Limited Kinetics in Amorphous Solid Water." Journal of Chemical Physics 127, no. 14:Art. No. 184708. PNNL-SA-56014. doi:10.1063/1.2790433

2006

  • Rassat S.D., R.S. Smith, C.L. Aardahl, T. Autrey, A.A. Chin, J.W. Magee, and G.R. VanSciver, et al. 2006. "Thermal Stability and Hydrogen Release Kinetics of Ammonia Borane Under Vehicle Storage Conditions." In The 232nd American Chemical Society National Meeting, Division of Fuel Chemistry, September 10-14, 2006, San Francisco, California, 51, 517-519. Washington Dc:American Chemical Society. PNNL-SA-50037.
  • Smith R.S., T. Zubkov, and B.D. Kay. 2006. "The Effect of the Incident Collision Energy on the Phase and Crystallization Kinetics of Vapor Deposited Water Films." Journal of Chemical Physics 124, no. 11:114710 (7 pages). PNNL-SA-47184.

2005

  • Daschbach J.L., J. Kim, P. Ayotte, R.S. Smith, and B.D. Kay. 2005. "Adsorption and Desorption of HCI on Pt(111)." Journal of Physical Chemistry B 109, no. 32:15506-15514. PNNL-SA-44943.
  • Daschbach J.L., Z. Dohnalek, S. Liu, R.S. Smith, and B.D. Kay. 2005. "Water Adsorption, Desorption, and Clustering on FeO(111)." Journal of Physical Chemistry B 109, no. 20:10362-10370. PNNL-SA-43765.
  • Gutowska A., L. Li, Y. Shin, C.M. Wang, X.S. Li, J.C. Linehan, and R.S. Smith, et al. 2005. "Nano-Scaffold Mediates Hydrogen Release and Reactivity of Ammonia Borane." Angewandte Chemie International Edition 44, no. 23:3578-3582. PNNL-SA-43271.

2004

  • Daschbach J.L., B.M. Peden, R.S. Smith, and B.D. Kay. 2004. "Adsorption, Desorption, and Clustering H20 on Pt (111)." Journal of Chemical Physics 120, no. 3:1516-1523. PNNL-SA-39389.
  • Daschbach J.L., G.K. Schenter, P. Ayotte, R.S. Smith, and B.D. Kay. 2004. "Helium Diffusion Through H2O and D2O Amorphous Ice: A Lattice Inverse Istope Effect." Physical Review Letters 92, no. 19:Art. no. 198306. PNNL-SA-40138.
  • Liu S., Z. Dohnalek, R.S. Smith, and B.D. Kay. 2004. "Interaction of CH4, CH3Cl, CH2CI2, and CCl4 with O-terminated FeO(111)." Journal of Physical Chemistry B 108, no. 11:3644-3650. PNNL-SA-39787.

2003

  • Dohnalek Z., G.A. Kimmel, P. Ayotte, R.S. Smith, and B.D. Kay. 2003. "The Deposition Angle-Dependent Density of Amorphous Solid Water Films." Journal of Chemical Physics 118, no. 1:364-372. PNNL-SA-36883.
  • Smith R.S., Z. Dohnalek, G.A. Kimmel, G.R. Teeter, P. Ayotte, J.L. Daschbach, and B.D. Kay. 2003. "Molecular Beam Studies of Nanoscale Films of Amorphous Solid Water." In Water in Confining Geometries, edited by V. Buch and J.P. Devlin. 337-357. New York, New York:Springer-Verlag. PNNL-SA-36993.

2002

  • Ayotte P., R.S. Smith, G.R. Teeter, Z. Dohnalek, G.A. Kimmel, and B.D. Kay. 2002. "A Beaker without Walls: Formation of Deeply Supercooled Binary Liquid Solutions of Alcohols from Nanoscale Amorphous Solid Films." Physical Review Letters 88, no. 24:art. no. 245505. PNNL-SA-35559.
  • Dohnalek Z., G.A. Kimmel, D.E. McCready, J.A. Young, A. Dohnalkova, R.S. Smith, and B.D. Kay. 2002. "Structural and chemical characterization of aligned crystalline nanoporous MgO films grown via reactive ballistic deposition." Journal of Physical Chemistry B 106, no. 14:3526-3529. PNNL-SA-34845. doi:10.1021/jp013801c
  • Dohnalek Z., G.A. Kimmel, D.E. McCready, J.S. Young, A. Dohnalkova, R.S. Smith, and B.D. Kay. 2002. "Structural and Chemical Characterization of Aligned Crystalline Nanoporous MgO Films Grown via Reactive Ballistic Deposition." Journal of Physical Chemistry B 106, no. 14:3526-3529. PNNL-SA-35335.
  • Dohnalek Z., R.S. Smith, and B.D. Kay. 2002. "Adsorption Dynamics and Desorption Kinetics of Argon and Methane on MgO(100)." Journal of Physical Chemistry B 106, no. 33:8360-8366. PNNL-SA-36216.
  • Smith R.S., Z. Dohnalek, G.A. Kimmel, K.P. Stevenson, and B.D. Kay. 2002. "The Relationship between the Self-diffusivity of Supercooled and Amorphous Solid Water." In 220th American Chemical Society National Meeting: Liquid Dynamics experiment, simulation, and theory; ACS Symposium series, edited by Fourkas, J. T., 820, 198-213. Washington, D.C.:American Chemical Society. PNNL-SA-33948.

2001

  • Ayotte P., R.S. Smith, K.P. Stevenson, Z. Dohnalek, G.A. Kimmel, and B.D. Kay. 2001. "Effect of Porosity on the Adsorption, Desorption, Trapping and Release of Volatile gases by Amorphous Solid Water." Journal of Geophysical Research. Planets 106, no. E12:33,387-33,392. PNNL-SA-33609.
  • Dohnalek Z., G.A. Kimmel, S.A. Joyce, P. Ayotte, R.S. Smith, and B.D. Kay. 2001. "Physisorption of CO on The MgO(100) Surface." Journal of Physical Chemistry B 105, no. 18:3747-3751. PNNL-SA-33651.
  • Kimmel G.A., K.P. Stevenson, Z. Dohnalek, R.S. Smith, and B.D. Kay. 2001. "Control of Amorphous Solid Water Morphology using Molecular Beams - I: Experimental Results." Journal of Chemical Physics 114, no. 12:5284-5294. PNNL-SA-33253.
  • Kimmel G.A., K.P. Stevenson, Z. Dohnalek, R.S. Smith, and B.D. Kay. 2001. "Control of Amorphous Solid Water Morphology using Molecular Beams - II: Ballistic Deposition Simulations." Journal of Chemical Physics 114, no. 12:5295-5303. PNNL-SA-33252.

2000

  • Dohnalek Z., G.A. Kimmel, R.L. Ciolli, K.P. Stevenson, R.S. Smith, and B.D. Kay. 2000. "The Effect of Underlying Substrate on the Crystallization Kinetics of Dense Amorphous Solid Water Films." Journal of Chemical Physics 112, no. 13:5932-5941. PNNL-SA-32228.
  • Smith R.S., Z. Dohnalek, G.A. Kimmel, K.P. Stevenson, and B.D. Kay. 2000. "The Self-diffusivity of Amorphous Solid Water Near 150 K." Chemical Physics 258, no. 3:291-305. PNNL-SA-32442.

1999

  • Dohnalek Z., R.L. Ciolli, G.A. Kimmel, K.P. Stevenson, R.S. Smith, and B.D. Kay. 1999. "Substrate Induced Crystallization of Amorphous Solid Water at Low Temperatures." Journal of Chemical Physics 110, no. 12:5489-5492. PNNL-SA-30439.
  • Smith R.S., and B.D. Kay. 1999. "The Existence of Supercooled Liquid Water at 150 K." Nature 398. PNNL-SA-30164.
  • Stevenson K.P., G.A. Kimmel, Z. Dohnalek, R.S. Smith, and B.D. Kay. 1999. "Controlling the Morphology of Amorphous Solid Water." Science 283. PNNL-SA-30440.

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