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S Thomas Autrey

S Thomas Autrey

Catalysis Science
Scientist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K2-57
Richland, WA 99352
509/375-3792

Biography

Tom Autrey is a Staff Scientist in the Fundamental and Computational Sciences Directorate at the Pacific Northwest National Laboratory. Dr. Autrey's current research interests are focused on materials and approaches to hydrogen storage for small power and on-board fuel cell applications. He is a PI on the DOE Office of Science Hydrogen Fuel Initiative, Control of Hydrogen Release and Uptake in Condensed Phases, and a CoPI on the DOE Office of Energy Efficiency and Renewable Energy's Hydrogen Storage Center of Excellence. He serves on the Lujan Center Neutron review committee at LANSCE, the Advisory Board for the Hydrocarbon Resources Gordon Research Conference and is a panel expert on the International Energy Agency (IEA) task on Hydrogen Storage.

Education and Credentials

  • Ph.D. in Chemistry from the University of Illinois, Urbana-Champaign, in 1987
  • B.S. from the University of Oregon in 1982

Affiliations and Professional Service

  • American Chemical Society
  • Materials Research Society

PNNL Publications

2013

  • Karkamkar AJ, K Parab, DM Camaioni, D Neiner, HM Cho, TK Nielsen, and T Autrey. 2013. "A Thermodynamic and Kenetic Study of the Heterolytic Activation of Hydrogen by Frustrated Borane-Amine Lewis Pairs." Dalton Transactions 42(3):615-619.  doi:10.1039/c2dt31628e
  • Luo W, D Neiner, AJ Karkamkar, K Parab, EB Garner, DA Dixon, DW Matson, T Autrey, and SY Liu. 2013. "3-Methyl-1,2-BN-Cyclopentane: A Promising H2 Storage Material?" Dalton Transactions 42(3):611-614.  doi:10.1039/c2dt31617j
  • Nielsen TK, AJ Karkamkar, ME Bowden, F Besenbacher, TR Jensen, and T Autrey. 2013. "Methods to Stabilize and Destabilize Ammonium Borohydride." Dalton Transactions 42(3):680-687.  doi:10.1039/C2DT31591B
  • Paolone A, F Teocoli, S Sanna, O Palumbo, and T Autrey. 2013. "Temperature Dependence of the Infrared Spectrum of Ammonia Borane: Librations, Rotations, and Molecular Vibrations." Journal of Physical Chemistry C 117(2):729-734.  doi:10.1021/jp3062898

2012

  • Kathmann SM, CJ Mundy, GK Schenter, T Autrey, PC Aeberhard, W David, MO Jones, and T Ramirez-Cuesta. 2012. "Understanding Vibrational Anharmonicity and Phonon Dispersion in Solid Ammonia Borane." Journal of Physical Chemistry C 116(9):5926-5931.  doi:10.1021/jp207540x
  • Aijaz A, AJ Karkamkar, YJ Choi, N Tsumori, E Ronnebro, T Autrey, H Shioyama, and Q Xu. 2012. "Immobilizing Highly Catalytically Active Pt Nanoparticles inside the Pores of Metal-Organic Framework: A Double Solvents Approach ." Journal of the American Chemical Society 134(34):13926-13929.  doi:10.1021/ja3043905
  • Camaioni DM, B Ginovska-Pangovska, GK Schenter, SM Kathmann, and T Autrey. 2012. "Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl) ." Journal of Physical Chemistry A 116(26):7228-7237.  doi:10.1021/jp3039829
  • Chua YS, W Li, WJ Shaw, G Wu, T Autrey, Z Xiong, MW Wong, and P Chen. 2012. "Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate ." ChemSusChem 5(5):927-931.  doi:10.1002/cssc.201100523
  • Dang LX, GK Schenter, TM Chang, SM Kathmann, and T Autrey. 2012. "Role of Solvents on the Thermodynamics and Kinetics of Forming Frustrated Lewis Pairs." Journal of Physical Chemistry Letters 3(22):3312-3319.  doi:10.1021/jz301533a
  • Huang Z, and T Autrey. 2012. "Boron-nitrogen-hydrogen (BNH) compounds: recent developments in hydrogen storage, applications in hydrogenation and catalysis, and new syntheses." Energy & Environmental Science 5(11):9257-9268.  doi:10.1039/c2ee23039a
  • Zhang Y, T Autrey, and CM Wolverton. 2012. "First-principles Prediction of Intermediate Products in the Decomposition of Metal Amidoboranes." Journal of Physical Chemistry C 116(51):26728-26734.  doi:10.1021/jp3106293

2011

  • Autrey T, ME Bowden, and AJ Karkamkar. 2011. "Control of hydrogen release and uptake in amine borane molecular complexes: Thermodynamics of ammonia borane, ammonium borohydride, and the diammoniate of diborane." Faraday Discussions 151(0):157-169.  doi:10.1039/C0FD00015A
  • Bowden ME, and T Autrey. 2011. "Characterization and Mechanistic Studies of the Dehydrogenation of NHxBHx Materials." Current Opinion in Solid State and Materials Science 15(2):73-79.  doi:10.1016/j.cossms.2011.01.005
  • Chong M, AJ Karkamkar, T Autrey, S Orimo, S Jalisatgi, and CM Jensen. 2011. "Reversible Dehydrogenation of Magnesium Borohydride to Magnesium Triborane in the Solid State Under Moderate Conditions." Chemical Communications 47(4):1330-1332.  doi:10.1039/C0CC03461D
  • Neiner D, AJ Karkamkar, M Bowden, YJ Choi, AT Luedtke, JD Holladay, AM Fisher, N Szymczak, and T Autrey. 2011. "Kinetic and Thermodynamic Investigation of Hydrogen Release from Ethane 1,2-di-amineborane." Energy & Environmental Science 4(10):4187-4193.  doi:10.1039/C1EE01884A

2010

  • Luedtke AT, and T Autrey. 2010. "Hydrogen Release Studies of Alkali Metal Amidoboranes." Inorganic Chemistry 49(8):3905-3910. 
  • Chellappa RS, T Autrey, M Somayazulu, VV Struzhkin, and RJ Hemley. 2010. "High-Pressure Hydrogen Interactions with Polyaminoborane and Polyiminoborane ." Chemphyschem 11(1):93-96.  doi:10.1002/cphc.200900829
  • Chua YS, G Wu, Z Xiong, AJ Karkamkar, J Guo, M Jian, MW Wong, T Autrey, and P Chen. 2010. "Synthesis, Structure and Dehydrogenation of Magnesium Amidoborane Monoammoniate." Chemical Communications 46(31):5752-5754. 
  • He T, J Wang, G Wu, HJ Kim, TE Proffen, A Wu, W Li, T Liu, Z Xiong, C Wu, H Chu, J Guo, T Autrey, T Zhang, and P Chen. 2010. "Growth of Crystalline Polyaminoborane through Catalytic Dehydrogenation of Ammonia Borane on FeB Nanoalloy." Chemistry - A European Journal 16(43):12814-12817. 
  • Kim HJ, AJ Karkamkar, T Autrey, P Chupas, and TE Proffen. 2010. "Storing Hydrogen." In APs Science 2009, ANL-10/06, pp. 48-49.  Argonnen National Laboratory, Argonne, IL. 
  • Li J, SM Kathmann, HS Hu, GK Schenter, T Autrey, and MS Gutowski. 2010. "Theoretical Investigations on the Formation and Dehydrogenation Reaction Pathways of H(NH2BH2)nH (n=1-4) Oligomers: Importance of Dihydrogen Interactions (DHI)." Inorganic Chemistry 49(17):7710-7720. 
  • Neiner D, AT Luedtke, AJ Karkamkar, WJ Shaw, J Wang, N Browning, T Autrey, and SM Kauzlarich. 2010. "Decomposition Pathway of Ammonia Borane on the Surface of nano-BN." Journal of Physical Chemistry C 114(32):13935-13941. 
  • Palumbo O, A Paolone, P Rispoli, R Cantelli, and T Autrey. 2010. "Decomposition of NH3BH3 at sub-ambient pressures: A combined thermogravimetry-differential thermal analysis-mass spectrometry study." Journal of Power Sources 195(6):1615-1618 . 
  • Paolone A, O Palumbo, P Rispoli, R Cantelli, and T Autrey. 2010. "An Investigation of the Structural Phase Transition of Ammonia Borane." Materials Science and Engineering. A. Structural Materials: Properties, Microstructure and Processing 521-22:169-171. 
  • Rassat SD, CL Aardahl, T Autrey, and RS Smith. 2010. "Thermal Stability of Ammonia Borane: A Case Study for Exothermic Hydrogen Storage Materials." Energy and Fuels 24(4):2596-2606.  doi:10.1021/ef901430a
  • Xiong Z, YS Chua, G Wu, L Wang, MW Wong, ZM Kam, T Autrey, T Kemmitt, and P Chen. 2010. "Interaction of Ammonia Borane with Li2NH and Li3N." Dalton Transactions 39(3):720-722.  doi:10.1039/B916994F

2009

  • Kathmann SM, VM Parvanov, GK Schenter, AC Stowe, LL Daemen, MA Hartl, JC Linehan, NJ Hess, AJ Karkamkar, and T Autrey. 2009. "Experimental and Computational Studies on Collective Hydrogen Dynamics in Ammonia Borane: Incoherent Inelastic Neutron Scattering." Journal of Chemical Physics 130(2):article no. 024507.  doi:10.1063/1.3042270
  • Kim HJ, AJ Karkamkar, T Autrey, P Chupas, and TE Proffen. 2009. "Determination of structure and phase transition of light element nanocomposites in mesoporous silica: case study of NH3BH3 in MCM-41." Journal of the American Chemical Society 131(38):13749-13755. 
  • Neiner D, AJ Karkamkar, JC Linehan, BW Arey, T Autrey, and SM Kauzlarich. 2009. "Promotion of Hydrogen Release from Ammonia Borane with Mechanically Activated Hexagonal Boron Nitride." Journal of Physical Chemistry C 113(3):1098-1103.  doi:10.1021/jp8087385
  • Paolone A, O Palumbo, P Rispoli, R Cantelli, and T Autrey. 2009. "Hydrogen dynamics and characterization of the tetragonal-to-orthorhombic phase transformation in ammonia borane." Journal of Physical Chemistry C 113(14):5872-5878. 
  • Paolone A, O Palumbo, P Rispoli, R Cantelli, T Autrey, and AJ Karkamkar. 2009. "Absence of the structural phase transition in ammonia borane dispersed in mesoporous silica: evidence of novel thermodynamic properties ." Journal of Physical Chemistry C 113(24):10319-10321. 
  • Rousseau RJ, GK Schenter, JL Fulton, JC Linehan, MH Engelhard, and T Autrey. 2009. "Defining Active Catalyst Structure and Reaction Pathways from ab Initio Molecular Dynamics and Operando XAFS: Dehydrogenation of Dimethylaminoborane by Rhodium Clusters ." Journal of the American Chemical Society 131(30):10516-10524. 
  • Wang LQ, AJ Karkamkar, T Autrey, and GJ Exarhos. 2009. "Hyperpolarized Xe-129 NMR Investigation of Ammonia Borane in Mesoporous Silica ." Journal of Physical Chemistry C 113(16):6485-6490. 
  • Wang S, W Mao, and T Autrey. 2009. "Bonding in Boranes and Their Interaction with Molecular Hydrogen at Extreme Conditions." Journal of Chemical Physics 131(14):Art. No. 144508. 

2008

  • Parvanov VM, GK Schenter, NJ Hess, LL Daemen, MA Hartl, AC Stowe, DM Camaioni, and T Autrey. 2008. "Materials for Hydrogen Storage: Structure and Dynamics of Borane Ammonia Complex." Dalton Transactions (33):4514-4522.  doi:10.1039/b718138h
  • Cho HM, WJ Shaw, VM Parvanov, GK Schenter, AJ Karkamkar, NJ Hess, CJ Mundy, SM Kathmann, JA Sears, Jr, AS Lipton, PD Ellis, and T Autrey. 2008. "Molecular Structure and Dynamics in the Low Temperature (Orthorhombic) Phase of NH3BH3." Journal of Physical Chemistry A 112(18):4277-4283. 
  • Dietrich BL, KI Goldberg, DM Heinekey, T Autrey, and JC Linehan. 2008. "Iridium Catalyzed Dehydrogenation of Substituted Amine Boranes: Kinetics, Thermodynamics and Implications for Hydrogen Storage." Inorganic Chemistry 47(19):8583-8585.  doi:10.1021/ic801161g
  • Hess NJ, ME Bowden, VM Parvanov, CJ Mundy, SM Kathmann, GK Schenter, and T Autrey. 2008. "Spectroscopic Studies of the Phase Transition in Ammonia Borane: Raman spectroscopy of single crystal NH3BH3 as a function of temperature from 88 to 330 K." Journal of Chemical Physics 128(3):Art. No. 034508.  doi:10.1063/1.2820768
  • Xiong Z, CK Yong, G Wu, P Chen, WJ Shaw, AJ Karkamkar, T Autrey, MO Jones, S Johnson, P Edwards, and B David. 2008. "High-capacity hydrogen storage in lithium and sodium amidoboranes." Nature Materials 7(2):138-141.  doi:10.1038/nmat2081
  • Xiong Z, YS Chua, G Wu, WL Xu, P Chen, WJ Shaw, AJ Karkamkar, JC Linehan, TD Smurthwaite, and T Autrey. 2008. "Interaction of Lithium Hydride and Ammonia Borane in THF ." Chemical Communications 43:5595-5597.  doi:10.1039/b812576g

2007

  • Karkamkar AJ, CL Aardahl, and T Autrey. 2007. "Recent Developments on Hydrogen Release from Ammonia Borane." Material Matters 2(2):6-9. 
  • Feaver AM, S Sepehri, PJ Shamberger, AC Stowe, T Autrey, and G Cao. 2007. "Coherent Carbon Cryogel-Ammonia Borane Nanocomposites for Improved Hydrogen Storage." Journal of Physical Chemistry B 111(26):7469-7472.  doi:10.1021/jp072448t
  • Fulton JL, JC Linehan, T Autrey, M Balasubramanian, Y Chen, and NK Szymczak. 2007. "When is a Nanoparticle a Cluster? An Operando EXAFS Study of Amine Borane Dehydrocoupling by Rh4-6 Clusters." Journal of the American Chemical Society 129(39):11936-11949. 
  • Gunaydin-Sen O, R Achey, NS Dalal, AC Stowe, and T Autrey. 2007. "High Resolution 15N NMR of the 225 K Phase Transition of Ammonia Borane (NH3BH3): Mixed Order-Disorder and Displacive Behavior." Journal of Physical Chemistry B 111(4):677-681.  doi:10.1021/jp0649347
  • Matus MH, K Anderson, DM Camaioni, T Autrey, and DA Dixon. 2007. "Reliable Predictions of the Thermochemistry of Boron-Nitrogen Hydrogen Storage Compounds: BxNxHy, x=2,3 ." Journal of Physical Chemistry A 111(20):4411-4421.  doi:10.1021/jp070931y
  • Sepehri S, AM Feaver, WJ Shaw, CJ Howard, Q Zhang, T Autrey, and G Cao. 2007. "Spectroscopic Studies of Dehydrogenation of Ammonia Borane in Carbon Cryogel." Journal of Physical Chemistry B 111(51):14285-14289.  doi:10.1021/jp077057t
  • Stowe AC, WJ Shaw, JC Linehan, B Schmid, and T Autrey. 2007. "In situ solid state B-11 MAS-NMR studies of the thermal decomposition of ammonia borane: mechanistic studies of the hydrogen release pathways from a solid state hydrogen storage material." Physical Chemistry Chemical Physics. PCCP 9(15):1831-1836.  doi:10.1039/b617781f

2006

  • Gutowski MS, and T Autrey. 2006. "Hydrogen Gets Onboard." Chemistry World (March 2006):, doi:www.rsc.org/chemistryworld/Issues/2006/March
  • Brown C, T Jacques, NJ Hess, LL Daemen, E Mamontov, JC Linehan, AC Stowe, and T Autrey. 2006. "Dynamics of Ammonia Borane Using Neutron Scattering." Physica B Condensed Matter 385(Pt.1 ):266-268. 
  • Rassat SD, RS Smith, CL Aardahl, T Autrey, AA Chin, JW Magee, GR VanSciver, and FJ Lipiecki. 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, vol. 51, pp. 517-519.  American Chemical Society, Washington DC. 

2005

  • Chen Y, JL Fulton, JC Linehan, and T Autrey. 2005. "In-situ XAFS and NMR Study of Rhodium Catalyzed Dehydrogenation of Dimethylamine Borane. ." Journal of the American Chemical Society 127(10):3254-3255.  doi:10.1021/ja0437050
  • Gutowska A, L Li, Y Shin, CM Wang, XS Li, JC Linehan, RS Smith, BD Kay, BA Schmid, WJ Shaw, MS Gutowski, and T Autrey. 2005. "Nano-Scaffold Mediates Hydrogen Release and Reactivity of Ammonia Borane." Angewandte Chemie International Edition 44(23):3578-3582. 
  • Linehan JC, T Autrey, JL Fulton, Y Chen, and M Balasubramanian. 2005. "Catalysis for Hydrogen Storage." In Abstracts of Papers of the American Chemical Society: 230th National Meeting of the American Chemical Society, vol. 230, no. 53-FUEL, p. U1651.  American Chemical Society, Washington DC. 

2004

  • Autrey T, AK Brown, DM Camaioni, M Dupuis, NS Foster, and AD Getty. 2004. "Thermochemistry of Aqueous Hydroxyl Radical from Advances in Photoacoustic Calorimetry and ab Initio Continum Solvation Theory." Journal of the American Chemical Society 126(12):3680-3681. 
  • Franz JA, WJ Shaw, CN Lamb, T Autrey, DS Kolwaite, DM Camaioni, and MS Alnajjar. 2004. "Absolute Rate Constants for Reactions of Tributylstannyl Radicals with Bromoalkanes, Episulfides, and alpha-Halomethyl-Episulfides, -Cyclopropanes, and -Oxiranes: New Rate Expressions for Sulfur and Bromine Atom Abstraction." Journal of Organic Chemistry 69(4):1020-1027. 
  • Shaw WJ, P Kandandarachchi, JA Franz, and T Autrey. 2004. "Spectroscopic Studies of Tributylstannyl Radical. Rates of Formation, Termination and Abstraction Determined by Transient Absorption Spectroscopy." Organometallics 23(9):2080-2086. 

2003

  • Autrey T, SV Egerev, NS Foster, A Fokin, and O Ovchinnikov. 2003. "Counting Particles by Means of Optoacoustics: Potential Limits in Real Solutions." Review of Scientific Instruments 74(1, part 2):628-631. 
  • Pritchina EA, N Gritsan, A Maltsev, T Bally, T Autrey, Y Liu, Y Wang, and JP Toscano. 2003. "Matrix isolation, time-resolved IR, and computational study of the photochemistry of benzoyl azide." Physical Chemistry Chemical Physics. PCCP 5(6):1010-1018. 

2002

  • Kandanarachchi PH, T Autrey, and JA Franz. 2002. "Model Compound Studies of the Beta-O-4 Linkage in Lignin: Absolute Rate Expressions for Beta-Scission of Phenoxyl Radical from 1-Phenyl-2-phenoxyethanol-1-yl Radical." Journal of Organic Chemistry 67(23):7937-7945. 

2001

  • Autrey T, NS Foster, DF Hopkins, and JM Price. 2001. "Tunable Ultraviolet Visible Photoacoustic Detection - Analysis of the Sensitivity and Selectivity Provided by a Xenon Flash Lamp." Analytica Chimica Acta 434(2):217-222. 
  • Camaioni DM, and T Autrey. 2001. "Thermochemical Kinetic Analysis of Mechanism for Thermal Oxidation of Organic Complexants in High-Level Wastes." In Nuclear Site Remediation: First Accomplishments of the Environmental Management Science Program, ACS Symposium Series 778 , ed. P. Gary Weller and William R. Heineman, pp. 299-313.  American Chemical Society , Washington, DC. 
  • Linehan JC, CR Yonker, RS Addleman, T Autrey, JT Bays, TE Bitterwolf, and JL Daschbach. 2001. "Solvent Study of the Kinetics of Molybdenum Radical Self-Termination." Organometallics 20(3):401-407. 
  • Autrey T, DM Camaioni, PH Kandanarachchi, and JA Franz. 2001. "Comparison of Diffusion Coefficients of Aryl Carbonyls and Aryl Alcohols in Hydroxylic Solvents. Evidence that the Diffusion of Ketyl Radicals in Hydrogen-Bonding Solvents is Not Anomalous?" Journal of Physical Chemistry A 105(24):5948-5953. 
  • Foster NS, JE Amonette, T Autrey, and JT Ho. 2001. "Detection of Trace Levels of Water in Oil by Photoacoustic Spectroscopy." Sensors and Actuators. B, Chemical 77(3):620-624. 

2000

  • Franz JA, DM Camaioni, T Autrey, JC Linehan, and MS Alnajjar. 2000. "Measurement of Select Radical Processes in Hydrocarbon Pyrolysis." Journal of Analytical and Applied Pyrolysis 54(1-2):37-64. 
  • Small JR, NS Foster, JE Amonette, and T Autrey. 2000. "Listening to Colloidal Silica Samples: Simultaneous Measurement of Absorbed and Scattered Light Using Pulsed-Laser Photoacoustics." Applied Spectroscopy 54(8):1142-1150. 

1999

  • Autrey T, NS Foster, and KD Klepzig. 1999. "Nanojoules, Nanoliters and Nanosecond Calorimetry." Journal of Photochemistry and Photobiology. A, Chemistry 125(1-3):13-19. 
  • Linehan JC, CR Yonker, JT Bays, T Autrey, TE Bitterwolf, and S Gallagher. 1999. "A Kinetic Study of the Thermal Loss of Ethylene from CpNb(CO)(3)(eta(2)-C2H4) in Supercritical Fluid Solvents." Journal of the American Chemical Society 120(23):5826-5827. 
  • Autrey T, JC Linehan, LE Kaune, TR Powers, EF Mcmillan, CJ Stearns, and JA Franz. 1999. "FeS Assisted Scission of Strong Bonds in Phenoxydiphenylmethanes. Competition between Hydrogen Atom Transfer and Free Radical Rearrangement Pathways." Energy and Fuels 13(4):927-933. 
  • Foster NS, T Autrey, JE Amonette, JR Small, and EW Small. 1999. "Laser Photoacoustic Spectroscopy: A Versatile Absorption-Spectroscopic Technique." American Laboratory 31(4):96S-108S. 
  • Foster NS, JE Amonette, and T Autrey. 1999. "In-situ Detection of Chromate Using Photoacoustic Spectroscopy." Applied Spectroscopy 53(6):735-740. 
  • Luey JK, JG Darab, T Autrey, JD Vienna, and HL Wigent. 1999. Characterization of Offgas Generated During Calcination of Incinerator Ash SurrogatesPNNL-11982, Pacific Northwest National Laboratory, Richland, WA. 

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