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S. Palchoudhury, W. An, Y. Xu, Y. Qin, Z. Zhang, N. Chopra, R. Holler, C. H. Turner, and Y. Bao, "Synthesis and growth mechanism of iron oxide nanowhiskers,"
Nano Letters 11, 1141-1146 (2011).
W. An, B. I. Dunlap, D. Gatewood, and C. H. Turner, "Catalytic activity of bimetallic nickel alloys for SOFC anode reactions from density-functional theory," Journal of Power Sources 196, 4724-4728 (2011).
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B. Fu, W. An, C. H. Turner, and G. B. Thompson, "In situ thin film growth stresses during chemical ordering," Physical Review Letters 105, 096101 (2010). -
W. An and C. H. Turner, "Linking carbon and boron-nitride nanotubes: Heterojunction energetics and band gap tuning," Journal of Physical Chemistry Letters 1, 2269-2273 (2010). -
W. An, L. Wintzinger, C. H. Turner, and Y. Bao, "A combined computational/experimental study of fluorescent gold nanocluster complexes," Nano-LIFE 1, 133-143 (2010). -
C. H. Turner, W. An, B. Dunlap, K. C. Lau, and X. Wang, "Atomistic modeling of solid oxide fuel cells," Annual Reports in Computational Chemistry 6, 201-234 (2010). -
W. An and C. H. Turner, "Structural, electronic, and magnetic features of platinum alloy strings templated on a boron-doped carbon nanotube," Physical Review B 81, 205433 (2010). -
L. Wintzinger, W. An, C. H. Turner, Y. Bao, "Synthesis and modeling of fluorescent gold nanoclusters," JOSHUA (non-peer-reviewed) 7, 24-27 (2010). -
X. Wang, K.-C. Lau, C. H. Turner, and B. I. Dunlap, "Kinetic Monte Carlo simulation of the hydrogen-powered solid-oxide fuel cell," Journal of Power Sources 195, 4177-4184 (2010). -
Y. Bao, W. An, C. H. Turner, K. M. Krishnan, "The critical role of surfactants in the growth of cobalt nanoparticles," Langmuir 26, 478-483 (2010). -
S. Palchoudhury, Y. Xu, W. An, C. H. Turner and Y. Bao, "Platinum attachments on iron oxide nanoparticle surfaces," Journal of Applied Physics 107, 09B311 (2010).
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W. An and C. H. Turner, "First-principles study of methane dehydrogenation on a bimetallic Cu/Ni(111) surface," Journal of Chemical Physics 131, 174702 (2009). -
W. An and C. H. Turner, "Electronic structure calculations of gas adsorption on boron-doped carbon nanotubes sensitized with tungsten," Chemical Physics Letters 482, 274-280 (2009). -
X. Wang, K. C. Lau, C. H. Turner, and B. I. Dunlap, "Kinetic Monte Carlo simulation of AC impedance on the cathode side of a solid oxide fuel cell," Journal of the Electrochemical Society 157, B90-B98 (2009). -
W. An and C. H. Turner, "Transition-metal strings templated on boron-doped carbon nanotubes: A DFT investigation," Journal of Physical Chemistry C 113, 15346-15354 (2009). -
N. Bao, L. Shen, W. An, P. Padhan, C. H. Turner, and A. Gupta, "Formation mechanism and shape control of monodisperse magnetic CoFe2O4 nanocrystals," Chemistry of Materials 21, 3458-3468 (2009). -
C. K. Acharya, W. Li, Z. Liu, G. Kwon, C. H. Turner, A. M. Lane, D. Nikles, T. Klein, and M. Weaver, "Effect of boron doping in the carbon support on platinum nanoparticles and carbon corrosion," Journal of Power Sources 192, 324-329 (2009). -
W. An and C. H. Turner, "Chemisorption of transition-metal atoms on boron- and nitrogen-doped carbon nanotubes: Energetics, geometric and electronic structures," Journal of Physical Chemistry C 113, 7069-7078 (2009). -
K. C. Lau, C. H. Turner, and B. I. Dunlap, "Kinetic Monte Carlo simulation of O2- incorporation in the Yttria Stabilized Zirconia (YSZ) fuel cell," Chemical Physics Letters 471, 326-330 (2009). -
Z. Hu, J. Shi, and C. H. Turner, "Molecular dynamics simulation of the Al2O3 film structure during atomic layer deposition," Molecular Simulation 35, 270-279 (2009).
C. K. Acharya and C. H. Turner, "CO oxidation with Pt(111) surfaces supported on pure and boron-doped carbon: A DFT investigation," Surf Sci 602, 3595-3602 (2008). -
J. S. Burgess, C. K. Acharya , J. Lizarazo, N. Yancey, B. Flowers, G. Kwon, T. Klein, M. Weaver, A. M. Lane, C. H. Turner, and S. Street, "Boron-doped carbon powders formed at 1000°C and one atmosphere," Carbon 46, 1711-1717 (2008). -
C. K. Acharya, D. I. Sullivan, and C. H. Turner, "Characterizing the interaction of Pt and PtRu clusters with boron-doped, nitrogen-doped, and activated carbon: DFT calculations and parameterization," J Phys Chem C 112, 13607-13622 (2008). -
K. C. Lau, C. H. Turner, and B. I. Dunlap, "Kinetic Monte Carlo simulation of the Yttria Stabilized Zirconia (YSZ) fuel cell cathode," Solid State Ionics 179, 1912-1920 (2008). -
C. H. Turner, J. K. Brennan, M. Lisal, W. R. Smith, J. K. Johnson, and K. E. Gubbins, "Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: A review," Mol Sim 117, 119-146 (2008).
C. K. Acharya and C. H. Turner, "Effect of an electric field on the adsorption of metal clusters on boron-doped carbon surfaces," J Phys Chem C 111, 14804-14812 (2007). -
C. H. Turner, J. K. Brennan, M. Lisal, "Replica exchange for reactive Monte Carlo simulations," J Phys Chem C 111, 15706-15715 (2007).
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C. Srivastava, J. Balasubramanian, C. H. Turner, J. M. Wiest, and G. B. Thompson, "Formation mechanism and composition distribution of FePt nanoparticles," J Appl Phys 102, 104310 (2007).
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S. Dubey, K. Li, H. Bhandari, Z. Hu, C. H. Turner and T. M. Klein, "In situ ATR - FTIR spectroscopy of hafnium
(IV) tert butoxide adsorption onto hydrogen terminated Si (100) and Si (111)," J Vac Sci Technol A 25, 1389-1394 (2007).
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A. Clarke, C. McNaughton, V. Kapustin, Y. Shinozuka, S. Howell, J. Dibb, J. Zhou, B. Anderson, Eric Scheuer, V. Brekhovskikh, H. Turner, M. Pinkerton, "Biomass burning and pollution aerosol over North America: Organic components and their influence on spectral optical properties and humidification response," JGR - Atmospheres
112, D12S18 (2007). -
Z. Hu and C. H. Turner, "The oxygen incorporation mechanism during the atomic layer deposition of Al2O3 onto H-passivated Si(100)-2x1," J Phys Chem C
111, 5756-5759 (2007). -
Z. Hu and C. H. Turner, "Atomic layer deposition of TiO2 from TiI4 and H2O onto SiO2 surfaces: Ab initio calculations of the initial reaction mechanisms," J Am Chem Soc
129, 3863-3878 (2007). -
C. H. Turner, "Monte Carlo simulation of equilibrium reactions at modified vapor-liquid interfaces," Langmuir
23, 2525-2530 (2007).
C. K. Acharya and C. H. Turner, "Stabilization of platinum clusters by substitutional boron dopants in carbon supports," J Phys Chem B (letter)
110, 17706-17710 (2006). -
Z. Hu and C. H. Turner, "Initial surface reactions of TiO2 atomic layer deposition onto SiO2 surfaces: density functional theory calculations," J Phys Chem B
110, 8337-8347 (2006). -
Y. Park and C. H. Turner, "Does solvent density play a role in the keto-enol tautomerization of acetylacetone?"
J Supercrit Fluid 37, 201-208 (2006).
C. H. Turner, "Monte Carlo simulation of equilibrium reactions at vapor-liquid interfaces," J Phys Chem B
109, 23588-23595 (2005). -
E. E. Santiso, A. M. George, C. H. Turner, M. K. Kostov, K. E. Gubbins, M. Buongiorno-Nardelli, M. Sliwinska-Bartkowiak, "Adsorption and catalysis: the effect of confinement on chemical reactions,"
Appl Surf Sci, 252, 766-777 (2005).
C. H. Turner, "Monte Carlo simulation of formic acid dimerization in a carbon dioxide solvent," J Phys Chem B
108, 11716-11721 (2004).
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C. H. Turner and K. E. Gubbins, "Supercritical clustering and selective confinement effects on an equilibrium-limited esterification reaction," J Chem Phys
119, 6057-6067 (2003).
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C. H. Turner, J. K. Brennan, J. Pikunic, and K. E. Gubbins, "Effect of confinement in heterogeneous carbon micropores on chemical reactions,"
Appl Surf Sci 296, 366-374 (2002). -
C. H. Turner, J. K. Brennan, J. K. Johnson, and K. E. Gubbins, "Effect of confinement by porous materials on chemical reaction kinetics," J Chem Phys
116, 2138-2148 (2002). -
C. H. Turner and K. E. Gubbins, "Chemical reaction equilibria in carbon micropores from Monte Carlo simulation: 2NO=(NO)2 and N2+3H2=2NH3,"
Fundamentals of Adsorption 7, ed. K. Kaneko, (2002).
C. H. Turner, J. Pikunic, and K. E. Gubbins, "Influence of chemical and physical surface heterogeneity on chemical reaction equilibria in carbon micropores," Mol Phys
99, 1991-2001 (2001). -
C. H. Turner, J. K. Johnson, and K. E. Gubbins, "Effect of confinement on chemical reaction equilibria: The reactions 2NO=(NO)2 and N2+3H2=2NH3 in carbon micropores," J Chem Phys
114, 1851-1859 (2001). -
C. H. Turner, J. K. Brennan, J. K. Johnson, and K. E. Gubbins, "Effect of confinement on chemical reaction equilibrium,"
Adsorption Science and Technology, ed. D. D. Do, World Scientific, Singapore
(2001).
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W. An and C. H. Turner, "DFT Investigation of Transition-metal Monatomic Strings Anchored on Boron-doped Carbon Nanotubes" MRS Spring Meeting, April 2009 (San Francisco, CA).
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W. An and C. H. Turner, "Architecture of transition metal monatomic strings on boron-doped carbon nanotubes" 237th ACS National Meeting, March 2009 (Salt Lake City, UT).
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C. H. Turner, "Simulating Stimulating Interfaces: Applications in Adsorption and Catalysis" (invited) 237th ACS National Meeting, March 2009 (Salt Lake City, UT).
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C. H. Turner and W. An, "Transition Metal Interactions with Boron-Doped Carbon Nanotubes: Energetic, Electronic, and Magnetic Properties," Zing Computational Chemistry Conference, March 2009 (Antigua and Barbuda).
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C. H. Turner, "Designing Fuel Cell Materials with Atomistic Computational Approaches," (invited) Vancouver to Northeast USA Fuel Cell and Hydrogen Cluster Connection Workshop, February 2009 (Vancouver, B.C.).
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C. H. Turner, K.-C. Lau, and B. I. Dunlap, "Frequency-response analysis of a solid-oxide fuel cell cathodes," AIChE Annual Meeting, November 2008 (Philadelphia, PA).
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C. K. Acharya, W. An, and C. H. Turner, "Catalytic and electrochemical applications of doped carbon supports: Interactions with metal nanoparticles," DOE-EPSCoR Annual Meeting, July 2008 (Oak Ridge National Lab, TN).
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C. K. Acharya and C. H. Turner, "Stability and Activity of Pt Nanoparticles on Pure and Boron-Doped Carbon," 213th Electrochem. Soc. Meeting, May 2008 (Phoneix, AZ).
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C. H. Turner, K.-C. Lau, and B. I. Dunlap, "Atomistic Simulation of the Oxygen Reduction Reaction at a Solid-Oxide Fuel Cell Interface," 213th Electrochem. Soc. Meeting, May 2008 (Phoneix, AZ).
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C. Srivastava, J. Balasubramanian, G. Thompson, C. H. Turner, and J. M. Wiest, "Composition evolution during FePt nanoparticle synthesis
," 2008 TMS Annual Meeting & Exhibition, March 2008 (New Orleans, LA).
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C. K. Acharya and C. H. Turner, "Effect of substitutional boron defects in carbon on The stability and activity of Pt nanoparticles," AIChE Annual Meeting, November 2007 (Salt Lake City, UT).
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C. K. Acharya and C. H. Turner, "Characterization Of boron-doped carbon synthesized under atmospheric conditions and its influence on Pt nanoparticles," AIChE Annual Meeting, November 2007 (Salt Lake City, UT).
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C. K. Acharya and C. H. Turner, "Theoretical/experimental investigation of the stability and activity of Pt nanoparticles on pure and boron-doped carbon," AIChE Annual Meeting, November 2007 (Salt Lake City, UT).
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C. K. Acharya and C. H. Turner, "DFT investigation on the stability of Pt clusters on carbon supports," AIChE Annual Meeting, November 2007 (Salt Lake City, UT).
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C. H. Turner, J. K. Brennan, and M. Lisal, "Replica exchange for reactive Monte Carlo simulations," AIChE Annual Meeting, November 2007 (Salt Lake City, UT).
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Z. Hu and C. H. Turner, "Multi-Scale Simulation of High-? Gate Dielectrics Deposited by Atomic
Layer Deposition," AVS 54th International Symposium and Exhibition, October 2007 (Seattle, WA).
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C. K. Acharya, G. Kwon, Z. Liu, T. M. Klein, D.
E. Nikles, A. M. Lane, and C. H. Turner, "Investigation of the stability and activity of Pt nanoparticles on
pure and boron-doped carbon," Gordon Research Conference, July 2007 (Seattle, WA).
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C. Srivastava, H. G. Bagaria, J. Balasubramanian, D. E. Nikles, D. T. Johnson, C.H. Turner, J. M. Wiest and G. B. Thompson, "Investigation of Compositional Distributions during the Chemical Synthesis of FePt Nanoparticles," Microscopy & Microanalysis 2007, August 2007 (Ft. Lauderdale, FL).
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Z. Hu and C. H. Turner, "DFT calculations of the atomic layer deposition growth mechanisms of high-k gate dielectric oxides," AIChE Annual Meeting, November 2006 (San Francisco, CA).
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C. H. Turner, "Monte Carlo simulation of chemical reaction equilibria at modified vapor-liquid interfaces," AIChE Annual Meeting, November 2006 (San Francisco, CA).
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C. K. Acharya and C. H. Turner, "Stabilization of platinum nanoparticles by substitutional boron dopants in carbon supports," AIChE Annual Meeting, November 2006 (San Francisco, CA).
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M. Accomando and C. H. Turner, "Monte Carlo simulations of equilibrium reactions involving charge separation at a vapor-liquid interface," AIChE Annual Meeting, November 2006 (San Francisco, CA).
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C. K. Acharya and C. H. Turner, "Carbon monoxide oxidation on platinum clusters adsorbed on pristine and boron-doped carbon supports: a DFT investigation," AIChE Annual Meeting, November 2006 (San Francisco, CA).
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Z. Hu and C. H. Turner, "Ab initio calculations of the initial reaction mechanisms for TiO2 atomic layer deposition onto SiO2 surfaces," AIChE Annual Meeting, November 2006 (San Francisco, CA).
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C. H. Turner, "Monte Carlo Simulation of Equilibrium Reactions at Vapor-Liquid Interfaces," AIChE Annual Meeting, November 2005 (Cincinnati, OH).
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C. K. Acharya and C. H. Turner, "DFT Investigation of Platinum Nanoparticles on Graphite," AIChE Annual Meeting, November 2005 (Cincinnati, OH).
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Z. Hu and C. H. Turner, "DFT Calculations of TiO2 Atomic Layer Deposition," AIChE Annual Meeting, November 2005 (Cincinnati, OH).
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C. H. Turner, G. Chen, B. Anderson, A. Clarke, J. H. Crawford, L. Thornhill, Y. Shinozuka, R. Ferrare, "Characterization of North American aerosols observed during INTEX-NA", ICARTT, August 2005 (Durham, NH).
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C. H. Turner, G. Chen, J. H. Crawford, and N. Blake, "Characterization of airmass plumes observed during INTEX-NA", ICARTT, August 2005 (Durham, NH).
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C. H. Turner, "Monte Carlo simulation of complex reaction equilibria at liquid-vapor interfaces", ACS National Meeting, March 2005 (San Diego, CA).
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C. H. Turner, "Simulation of formic acid dimerization equilibrium in a carbon dioxide solvent", AIChE Annual Meeting, November 2004 (Austin, TX).
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C. H. Turner, "Controlling reactivity within nanoporous carbons: Monte Carlo simulations", Gordon Research Conference on Computational Chemistry, 2004 (Plymouth, NH).
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C. H. Turner, "Nanocarbon: theory and simulation", DOE EPSCoR Meeting, Argonne National Labs, 2004 (Argonne, IL).
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C. H. Turner, J. K. Brennan, and K. E. Gubbins, "Chemical reaction kinetics in non-ideal environments predicted from Reactive Monte Carlo simulations: the reaction
2HI=>H2+I2." AIChE Annual Meeting. November, 2001 (Reno, NV).
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C. H. Turner, J. P. Pikunic, and K. E. Gubbins, "Enhancement of the ammonia
synthesis reaction in heterogeneous microporous carbon models predicted from Monte
Carlo simulation." AIChE Annual Meeting. November, 2001 (Reno, NV).
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C. H. Turner, J. K. Brennan, J. P. Pikunic, and K. E. Gubbins, "Simulation of chemical
reaction equilibria in heterogeneous carbon micropores." Fourth International
Symposium: Effects of Surface Heterogeneity in Adsorption and Catalysis on Solids.
August, 2001 (Krakow, Poland).
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C. H. Turner and K. E. Gubbins, "Chemical reaction equilibria in carbon micropores
from Monte Carlo simulation: 2NO=(NO)2 and N2+3H2=2NH3.'' Fundamentals of
Adsorption 7. May, 2001 (Nagasaki, Japan).
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J. K. Brennan, C. H. Turner, and K. E. Gubbins, "Transport and reaction in
heterogeneous and porous media.'' AIChE Annual Meeting. November, 2000 (Los
Angeles, CA).
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J. K. Brennan, C. H. Turner, and K. E. Gubbins, "Transport and reaction in
heterogeneous and porous media.'' AIChE Annual Meeting. November, 2000 (Los
Angeles, CA).
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C. H. Turner, J. P. Pikunic, and K. E. Gubbins, "Monte Carlo predictions of chemical
reaction equilibria in realistic activated carbon models.'' AIChE Annual Meeting.
November, 2000 (Los Angeles, CA).
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C. H. Turner, J. K. Johnson, J. K. Brennan, and K. E. Gubbins, "Effect of confinement
on chemical reaction equilibrium.'' 2nd Pacific Basin Conference on Adsorption
Science and Technology. May, 2000 (Brisbane, Australia).
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C. H. Turner, J. K. Johnson, and K. E. Gubbins, "Molecular modeling of chemical
reaction equilibria in narrow pores; effects of confinement on equilibrium yield.''
AIChE Annual Meeting. November, 1999 (Dallas, TX). -
C. H. Turner and K. E. Gubbins, "Molecular modeling of chemical reaction equilibria
in pores; effects of confinement on equilibrium yield.'' 24th Biennial Conference on
Carbon. July, 1999 (Charleston, SC).
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