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Staff information

Bruce

Bruce Kay

Chemical Physics & Analysis
Lab Fellow, Physicist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-88
Richland, WA 99352

Biography

Dr. Bruce Kay and his colleagues are applying and extending molecular-beam surface scattering techniques to ice surfaces to examine the chemical kinetics and reaction dynamics of molecular processes occurring both on the surface and within the bulk of amorphous and crystalline ice films. We use these "chemically tailored" nanoscale films as model systems to elucidate the mechanistic details of the complex physiochemical processes that take place in aqueous solutions, deeply super-cooled liquids, astrophysical dust and comets, and at the aqueous-mineral geochemical interface. In related experiments, we are examining hydrophobic and hydrophilic interactions between water and various other materials using thermal desorption and surface spectroscopic techniques to probe interphase transport and phase separation. Elucidation of these processes will further our understanding of solvation and reactions in multi-phase, multi-component solutions and in determining reaction mechanisms in heterogeneous systems. These molecular-level studies are germane to Department of Energy programs in environmental restoration, waste processing, and contaminant fate and transport.

We are also using molecular beam scattering instrumentation to study physisorption and chemisorption on oxide surfaces. Recently, we have shown that physisorption of weakly bound gases can be used to titrate small concentrations of surface defects and to determine their binding energies on magnesium oxide(100). Currently, we are also engaged in adsorption studies on the surfaces of nanoporous thin MgO films. This work was initiated by our discovery of the deposition angle dependent porosity of amorphous solid water films grown under ballistic deposition (BD) conditions. We have found that the MgO films created under reactive BD conditions are composed of a tilted array of porous nanoscale crystalline filaments with high porosity (~ 90%) and high-surface area (~ 1000 m2/g). These films have chemical binding sites analogous to those on MgO(100). However the fraction of chemically active, high energy binding sites is greatly enhanced on the nanoporous film. This unique collection of properties makes these materials attractive candidates for chemical applications such as sensors and heterogeneous catalysts.

Education and Credentials

  • University of Illinois, Chicago, IL: B. S., in Chemistry, Mathematics (minor) (1976) with Honors and Highest Distinction
  • University of Colorado, Boulder, CO: Ph. D., in Chemical Physics (1982) Advisor: Prof. A. W. Castleman Jr. Dissertation: "Dynamics, Energetics and Structure of Hydrogen-Bonded Clusters: Elucidating the Transition from the Gaseous to the Condensed State"

Affiliations and Professional Service

  • Fellow of the American Chemical Society (2010)
  • Fellow of the American Association for the Advancement of Science (AAAS, 2005)
  • Fellow of the American Vacuum Society (AVS, 2000)
  • Fellow of the American Physical Society (APS, 2000)
  • Elected to Sigma Xi (1980)

Awards and Recognitions

  • Editorial Board, Journal of Chemical Physics (2009-2011)
  • British Vacuum Council John Yarwood Medal (1991)
  • ACS Undergraduate Award in Analytical Chemistry (1976)
  • Visiting Professor of Chemical Physics,University of Liverpool, UK, 2006-present
  • Editioral Advisory Board, Journal of Physical Chemistry (2005-2007)
  • International Advisory Board, Academica Sinica Institute for
  • Atomic and Molecular Science, Taiwan (2004-2007)
  • Elected to a leadership role in the American Chemical Society
  • Physical Chemistry Division serving a five year rotation as vice chair elect through past chairman during the period 2003 through 2008
  • Co-Chair of the Dynamics and Kinetics working group at the DOE-BES Workshop on Nanoscience and Catalysis, Gaithersburg MD, May 14-16, 2002
  • Editorial Board of the Review Journal, Progress in Surface Science (2000-2006)
  • Vice Chairman (1999) and Chairman (2001), Gordon Conference on Dynamics at Surfaces

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

  • Asthagiri A., D.A. Dixon, Z. Dohnalek, B.D. Kay, J.A. Rodriquez, R.J. Rousseau, and D. Stacchiola, et al. 2016. "Catalytic Chemistry on Oxide Nanostructures." In Oxide Materials at the Two-Dimensional Limit. Springer Series in Materials Science, edited by FP Netzer and A Fortunelli. 251-280. Cham:Springer International. PNNL-SA-110501.
  • 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
  • Kim B., Z. Dohnalek, J. Szanyi, B.D. Kay, and Y. Kim. 2016. "Temperature-programmed Desorption Study of NO Reactions on Rutile TiO2(110)-1x1." Surface Science 652. PNNL-SA-114302. doi:10.1016/j.susc.2016.01.032
  • 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
  • Xu Y., N.G. Petrik, R.S. Smith, B.D. Kay, and G.A. Kimmel. 2016. "Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K." Proceedings of the National Academy of Sciences of the United States of America 113, no. 52:14921-14925. PNNL-SA-119195. doi:10.1073/pnas.1611395114
  • Yu X., Z. Zhang, C. Yang, F. Bebensee, S. Heibler, A. Nefedov, and M. Tang, et al. 2016. "Interaction of Formaldehyde with the Rutile TiO2(110) Surface: A Combined Experimental and Theoretical Study." Journal of Physical Chemistry C 120, no. 23:12626-12636. PNNL-SA-116863. doi:10.1021/acs.jpcc.6b03689
  • 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

  • Kim B., B.D. Kay, Z. Dohnalek, and Y. Kim. 2015. "Ammonia formation from NO reaction with surface hydroxyls on rutile TiO2 (110) - 1x1." Journal of Physical Chemistry C 119, no. 2:1130-1135. PNNL-SA-106365. doi:10.1021/jp5109619
  • 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
  • Fang Z., Z. Li, M.S. Kelley, B.D. Kay, S. Li, J.M. Hennigan, and R.J. Rousseau, et al. 2014. "Oxidation, Reduction, and Condensation of Alcohols over (MO3)3 (M=Mo, W) Nanoclusters." Journal of Physical Chemistry C 118, no. 39:22620-22634. PNNL-SA-103803. doi:10.1021/jp5072132
  • Kim B., Z. Li, B.D. Kay, Z. Dohnalek, and Y. Kim. 2014. "Low-Temperature Desorption of N2O from NO on Rutile TiO2(110)-1x1." Journal of Physical Chemistry C 118, no. 18:9544-9550. PNNL-SA-100646. doi:10.1021/jp501179y
  • 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
  • Li Z., Z. Fang, M.S. Kelley, B.D. Kay, R.J. Rousseau, Z. Dohnalek, and D.A. Dixon. 2014. "Ethanol Conversion on Cyclic (MO3)3 (M = Mo, W) Clusters." Journal of Physical Chemistry C 118, no. 9:4869-4877. PNNL-SA-98029. doi:10.1021/jp500255f
  • Molinero V., and B.D. Kay. 2014. "Preface: Special Topic on Interfacial and Confined Water." Journal of Chemical Physics 141, no. 18:Article No. 18C101. PNNL-SA-106166. doi:10.1063/1.4900822
  • Rousseau R.J., D.A. Dixon, B.D. Kay, and Z. Dohnalek. 2014. "Dehydration, Dehydrogenation, and Condensation of Alcohols on Supported Oxide Catalysts Based on Cyclic (WO3)3 and (MoO3)3 Clusters." Chemical Society Reviews 43, no. 22:7664-7680. PNNL-SA-99875. doi:10.1039/c3cs60445d
  • 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

  • Acharya D.P., Y. Yoon, Z. Li, Z. Zhang, X. Lin, R. Mu, and L. Chen, et al. 2013. "Site-Specific Imaging of Elemental Steps in Dehydration of Diols on TiO2(110)." ACS Nano 7, no. 11:10414-10423. PNNL-SA-98207. doi:10.1021/nn404934q
  • Li Z., B.D. Kay, and Z. Dohnalek. 2013. "Dehydration and Dehydrogenation of Ethylene Glycol on Rutile TiO2(110)." Physical Chemistry Chemical Physics. PCCP 15, no. 29:12180-12186. PNNL-SA-93701. doi:10.1039/c3cp50687h
  • Lin X., Z. Wang, I. Lyubinetsky, B.D. Kay, and Z. Dohnalek. 2013. "Interaction of CO2 with Oxygen Adatoms on Rutile TiO2(110)." Physical Chemistry Chemical Physics. PCCP 15, no. 17:6190-6195. PNNL-SA-91922. doi:10.1039/C3CP44040K
  • 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

  • Flaherty D.W., N.T. Hahn, R.A. May, S.P. Berglund, Y. Lin, K.J. Stevenson, and K.J. Stevenson, et al. 2012. "Reactive Ballistic Deposition of Nanostructured Model Materials for Electrochemical Energy Conversion and Storage." Accounts of Chemical Research 45, no. 3:434-443. PNNL-SA-80939. doi:10.1021/ar200164u
  • Kim B., Z. Li, B.D. Kay, Z. Dohnalek, and Y. Kim. 2012. "The effect of oxygen vacancies on the binding interactions of NH3 with rutile TiO2(110) -1x1." Physical Chemistry Chemical Physics. PCCP 14, no. 43:15060-15065. PNNL-SA-89318. doi:10.1039/C2CP42754K
  • Kim B., Z. Li, B.D. Kay, Z. Dohnalek, and Y. Kim. 2012. "Unexpected Nondissociative Binding of N2O on Oxygen Vacancies on a Rutile TiO2(110)-1x1." Journal of Physical Chemistry C 116, no. 1:1145-1150. PNNL-SA-83511. doi:10.1021/jp210636j
  • Li S., Z. Li, Z. Zhang, B.D. Kay, R.J. Rousseau, and Z. Dohnalek. 2012. "Preparation, Characterization, and Catalytic Properties of Tungsten Trioxide Cyclic Trimers on FeO(111)/Pt(111)." Journal of Physical Chemistry C 116, no. 1:908-916. PNNL-SA-82959. doi:10.1021/jp2093324
  • Li Z., B. Smid, Y. Kim, V. Matolin, B.D. Kay, R.J. Rousseau, and Z. Dohnalek. 2012. "Alcohol Dehydration on Monooxo W=O and Dioxo O=W=O Species." Journal of Physical Chemistry Letters 3, no. 16:2168-2172. PNNL-SA-88790. doi:10.1021/jz300885v
  • Lin X., Y. Yoon, N.G. Petrik, Z. Li, Z. Wang, V.A. Glezakou, and B.D. Kay, et al. 2012. "Structure and Dynamics of CO2 on Rutile TiO2(110)-1x1." Journal of Physical Chemistry C 116, no. 50:26322-26334. PNNL-SA-89052. doi:10.1021/jp308061j
  • 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
  • Zhang Z., Y. Yoon, X. Lin, D.P. Acharya, B.D. Kay, R.J. Rousseau, and Z. Dohnalek. 2012. "OH Group Dynamics of 1, 3-propanediol on TiO2(110)." Journal of Physical Chemistry Letters 3, no. 22:3257-3263. PNNL-SA-90595. doi:10.1021/jz301412m

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, B.D. Kay, and Z. Dohnalek. 2011. "Polymerization of Formaldehyde and Acetaldehyde on Ordered (WO3)3 Films on Pt(111)." Journal of Physical Chemistry C 115, no. 19:9692-9700. PNNL-SA-78252. doi:10.1021/jp202169x
  • 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

  • Kim J., B.D. Kay, and Z. Dohnalek. 2010. "Formaldehyde Polymerization on (WO3)3/TiO2(110) Model Catalyst." Journal of Physical Chemistry C 114, no. 40:17017-17022. PNNL-SA-71733.
  • 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
  • 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.
  • Kim Y., Z. Zhang, G.S. Parkinson, S. Li, B.D. Kay, and Z. Dohnalek. 2009. "Reactivity of FeO(111)/Pt(111)with Alcohols." Journal of Physical Chemistry C 113, no. 46:20020-20028. PNNL-SA-67864.
  • Kim Y.K., Z. Dohnalek, B.D. Kay, and R.J. Rousseau. 2009. "Competitive Oxidation and Reduction of Aliphatic Alcohols over (WO3)3 Clusters." Journal of Physical Chemistry C 113, no. 22:9721-9730. PNNL-SA-63868.
  • 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.
  • Zhang Z., R.J. Rousseau, J. Gong, B.D. Kay, and Z. Dohnalek. 2009. "Imaging Hindered Rotations of Alkoxy Species on TiO2(110)." Journal of the American Chemical Society 131, no. 49:17926-17932. PNNL-SA-68160.

2008

  • Dohnalek Z., J. Kim, and B.D. Kay. 2008. "Understanding How Surface Morphology and Hydrogen Dissolution Influence Ethylene Hydrogenation on Palladium." Journal of Physical Chemistry C 112, no. 40:15796-15801. PNNL-SA-51220. doi:10.1021/jp803880x
  • Kim Y., B.D. Kay, J.M. White, and Z. Dohnalek. 2008. "2-Propanol Dehydration on TiO2(110): The Effect of Bridge-Bonded Oxygen Vacancy Blocking." Surface Science 602, no. 2:511-516. PNNL-SA-57162. doi:10.1016/j.susc.2007.10.049
  • Kim Y., R.J. Rousseau, B.D. Kay, J.M. White, and Z. Dohnalek. 2008. "Catalytic Dehydration of 2-Propanol on (WO3)3 Clusters on TiO2(110)." Journal of the American Chemical Society 130, no. 15:5059-5061. PNNL-SA-58711. doi:10.1021/ja800730g
  • Li S., Z. Zhang, D. Sheppard, B.D. Kay, J.M. White, Y. Du, and I. Lyubinetsky, et al. 2008. "Intrinsic Diffusion of Hydrogen on Rutile TiO2(110)." Journal of the American Chemical Society 130, no. 28:9080-9088. PNNL-SA-58537. doi:10.1021/ja8012825
  • Zhang Z., R.J. Rousseau, J. Gong, S. Li, B.D. Kay, Q. Ge, and Z. Dohnalek. 2008. "Vacancy Assisted Diffusion of Alkoxy Species on Rutile TiO2(110)." Physical Review Letters 101, no. 15:156103. PNNL-SA-59664. doi:10.1103/PhysRevLett.101.156103

2007

  • Bondarchuk O., Y. Kim, J.M. White, J. Kim, B.D. Kay, and Z. Dohnalek. 2007. "Surface Chemistry of 2-Propanol on TiO2(110): Low and High Temperature Dehydration, Isotope Effects, and Influence of Local Surface Structure." Journal of Physical Chemistry C 111, no. 29:1105-11067. PNNL-SA-54619. doi:10.1021/jp072298m
  • Dixon D.A., Z. Dohnalek, M.S. Gutowski, J. Hu, E. Iglesia, B.D. Kay, and J. Liu, et al. 2007. "Early Transition Metal Oxides as Catalysts: Crossing Scales from Clusters to Single Crystals to Functioning Materials." In Frontiers in Catalysis Science. Meeting of the Catalysis and Chemical Transformations Program Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, U.S. Department of Energy Rockville, MD May 23-26, 2004, 389-392. Washington, District Of Columbia:Department of Energy. PNNL-SA-54459.
  • Flaherty D.W., Z. Dohnalek, A. Dohnalkova, B.W. Arey, D.E. McCready, N. Ponnusany, and C. Mullins, et al. 2007. "Reactive Ballistic Deposition of Porous TiO2 Films: Growth and Characterization." Journal of Physical Chemistry C 111, no. 12:4765-4773. PNNL-SA-52580. doi:10.1021/jp067641m
  • Kim J., O. Bondarchuk, B.D. Kay, J.M. White, and Z. Dohnalek. 2007. "Preparation and Characterization of Monodispersed WO3 Nanoclusters on TiO2(110)." Catalysis Today 120, no. 2:186-195. PNNL-SA-50486. doi:10.1016/j.cattod.2006.07.050
  • Kim Y., B.D. Kay, J.M. White, and Z. Dohnalek. 2007. "Alcohol Chemistry on Rutile TiO2(110): The Influence of Alkyl Substituents on Reactivity and Selectivity." Journal of Physical Chemistry C 111, no. 49:18236-18242. PNNL-SA-56213. doi:10.1021/jp075608+
  • Kim Y., B.D. Kay, J.M. White, and Z. Dohnalek. 2007. "Inductive Effect of Alkyl Chains on Alcohol Dehydration at Bridge-Bonded Oxygen Vacancies of TiO2(110)." Catalysis Letters 119, no. 1-2:1-4. PNNL-SA-54909. doi:10.1007/s10562-007-9199-1
  • Kimmel G.A., N.G. Petrik, Z. Dohnalek, and B.D. Kay. 2007. "Crystalline Ice Growth on Pt(111) and Pd(111): Nonwetting Growth on a Hydrophobic Water Monolayer." Journal of Chemical Physics 126, no. 11:Art. No. 114702. PNNL-SA-51889.
  • 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.
  • Zhang Z., O. Bondarchuk, B.D. Kay, J.M. White, and Z. Dohnalek. 2007. "Direct Visualization of 2-Butanol Adsorption and Dissociation on TiO2(110)." Journal of Physical Chemistry C 111, no. 7:3021-3027. PNNL-SA-51362. doi:10.1021/jp067461c
  • Zhang Z., Q. Ge, S. Li, B.D. Kay, J.M. White, and Z. Dohnalek. 2007. "Imaging Intrinsic Diffusion of Bridge-Bonded Oxygen Vacancies on TiO2(110)." Physical Review Letters 99, no. 12:paper #126105. PNNL-SA-53640. doi:10.1103/PhysRevLett.99.126105
  • 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

  • Bondarchuk O., X. Huang, J. Kim, B.D. Kay, L.S. Wang, J.M. White, and Z. Dohnalek. 2006. "Formation of Monodisperse (WO3)3 Clusters on Ti02(110)." Angewandte Chemie International Edition 45, no. 29:4786-4789. PNNL-SA-47808. doi:10.1002/anie.200600837
  • Dohnalek Z., J. Kim, and B.D. Kay. 2006. "Growth of Epitaxial Thin Pd(111) Films on Pt(111) and Oxygen-Terminated FeO(111) Surfaces." Surface Science 600, no. 17:3461-3471. PNNL-SA-47863. doi:10.1016/j.susc.2006.06.036
  • Dohnalek Z., J. Kim, O.A. Bondarchuk, J.M. White, and B.D. Kay. 2006. "Physisorption of N2, O2, and CO on Fully Oxidized TiO2(110)." Journal of Physical Chemistry B 110, no. 12:6229-6235. PNNL-SA-47092. doi:10.1021/jp0564905
  • Kimmel G.A., N.G. Petrik, Z. Dohnalek, and B.D. Kay. 2006. "Layer-by-Layer Growth of Thin Amorphous Solid Water Films on Pt(111) and Pd(111)." Journal of Chemical Physics 125, no. 4:044713-1 - 044713-12. PNNL-SA-48867. doi:10.1063/1.2218844
  • 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.
  • Tait S.L., Z. Dohnalek, C.T. Campbell, and B.D. Kay. 2006. "n-alkanes on Pt(111) and on C(0001)/Pt(111): Chain Length Dependence of Kinetic Desorption Parameters." Journal of Chemical Physics 125, no. 23:Art. No. 234308. PNNL-SA-52516. doi:10.1063/1.2400235
  • Zhang Z., O. Bondarchuk, B.D. Kay, J.M. White, and Z. Dohnalek. 2006. "Imaging Water Dissociation on TiO2(110): Evidence for Inequivalent Geminate OH Groups." Journal of Physical Chemistry B 110, no. 43:21840-21845. PNNL-SA-50470. doi:10.1021/jp063619h
  • Zhang Z., O. Bondarchuk, J.M. White, B.D. Kay, and Z. Dohnalek. 2006. "Imaging Adsorbate O-H Bond Cleavage: Methanol on TiO2(110)." Journal of the American Chemical Society 128, no. 13:4198-4199. PNNL-SA-47892. doi:10.1021/ja058466a

2005

  • Batista E., P. Ayotte, A. Bilic, B.D. Kay, and H. Jonsson. 2005. "What Determines the Sticking Probability of Water Molecules on Ice?." Physical Review Letters. PNNL-SA-47750. doi:10.1103/PhysRevLett.95.223201
  • 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.
  • Dixon D.A., Z. Dohnalek, M.S. Gutowski, J.Z. Hu, E. Iglesia, B.D. Kay, and J. Liu, et al. 2005. "Early Transition Metal Oxides as Catalysts: Crossing Scales from Clusters to Single Crystals to Functioning Materials." In Frontiers in Catalysis Science: Proceedings of the 12th DOE/BES Heterogeneous Catalysis & Surface Science Meeting, 389-392. Upton, New York:Frontiers in Catalysis Science. PNNL-SA-42058.
  • Garrett B.C., D.A. Dixon, D.M. Camaioni, D.M. Chipman, M.A. Johnson, C.D. Jonah, and G.A. Kimmel, et al. 2005. "Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances." Chemical Reviews 105, no. 1:355-389. PNNL-SA-42304. doi:10.1021/cr030453x
  • 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.
  • Hornekaer L., A. Baurichter, V.V. Petrunin, A.C. Luntz, B.D. Kay, and A. Al-Halabi. 2005. "Influence of Surface Morphology on D-2 Desorption Kinetics from Amorphous Solid Water." Journal of Chemical Physics 122, no. 12:124701-1 - 11. PNNL-SA-45193. doi:10.1063/1.1874934
  • Kim J., Z. Dohnalek, and B.D. Kay. 2005. "Cryogenic CO2 Formation on Oxidized Gold Clusters Synthesized via Reactive Layer Assisted Deposition." Journal of the American Chemical Society 127, no. 42:14592-93. PNNL-SA-46190.
  • Kim J., Z. Dohnalek, and B.D. Kay. 2005. "Structural Characterization of Nanoporous Pd Films Grown Via Ballistic Deposition." Surface Science 586, no. 1-3:137-145. PNNL-SA-43826.
  • Kimmel G.A., N.G. Petrik, Z. Dohnalek, and B.D. Kay. 2005. "Crystalline Ice Growth on Pt(111): Observation of a Hydrophobic Water Monolayer." Physical Review Letters 95, no. 16:166102. PNNL-SA-45342.
  • Tait S.L., Z. Dohnalek, C. Campbell, and B.D. Kay. 2005. "Methane Adsorption and Dissociation and Oxygen Adsorption and Reaction with CO on Pd Nanoparticles on MgO(100) and on Pd(111)." Surface Science 591, no. 1-3:90-107. PNNL-SA-45238.
  • Tait S.L., Z. Dohnalek, C.T. Campbell, and B.D. Kay. 2005. "n-Alkanes on MgO(100). I: Coverage-Dependent Desorption Kinetics of n-Butane." Journal of Chemical Physics 122, no. 16:4707 (9 pages). PNNL-SA-43247.
  • Tait S.L., Z. Dohnalek, C.T. Campbell, and B.D. Kay. 2005. "n-Alkanes on MgO(100). II. Chain Length Dependence of Kinetic Desorption Parameters for Small n-Alkanes." Journal of Chemical Physics 122, no. 16:4708 (13 pages). PNNL-SA-43228.

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.
  • Kim J., Z. Dohnalek, J.M. White, and B.D. Kay. 2004. "Reactive Growth of Nanoscale MgO Films by Mg Atom Deposition onto O2 Multilayers." Journal of Physical Chemistry B 108, no. 31:11666-11671. PNNL-SA-40944.
  • 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.
  • Kimmel G.A., M. Persson, Z. Dohnalek, and B.D. Kay. 2003. "Temperature Independent Physisorption Kinetics and Adsorbate Layer Compression for Ar Adsorbed on Pt (111)." Journal of Chemical Physics 119, no. 13:6776-6783. PNNL-SA-37480.
  • 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., 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.

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.
  • Peden C.H., G.S. Herman, I.Z. Ismagilov, B.D. Kay, M.A. Henderson, Y.J. Kim, and S.A. Chambers. 1999. "Model Catalyst Studies with Single Crystals and Epitaxial Thin Oxide Films." Catalysis Today 51, no. 3-4:513-519. PNNL-SA-29513.
  • 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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