Publications Archive

Publications

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2015

  • C. H. Turner, Z. Zhang, L. Gelb, B. Dunlap, “Kinetic Monte Carlo of Electrochemical Systems,” Reviews in Computational Chemistry 28, 175-204 (2015).
  • T. K. Ludwig, L. Guo, P. McCrary, Z. Zhang, H. Gordon, H. Quan, M. Stanton, R. M. Frazier, R. D. Rogers, H.T. Wang, C. H. Turner, “Mechanism of Bismuth Telluride Exfoliation in an Ionic Liquid Solvent,” Langmuir 31, 3544-3652 (2015).
  • J. E. Bara, C. H. Turner, Z. Zhang, C. I. Hawkins, "Tangible visualization of molecular dynamics simulations using 3-D printing," Education for Chemical Engineers 13, 9-16 (2015).
  • M. S. Shannon, A. C. Irvin, J. D. Moon, H. Liu, M. S. Hindman, C. H. Turner, and J. E. Bara, “Chemical and Physical Absorption of SO2 by N-Functionalized Imidazoles: Experimental Results and Molecular-level Insight,” Industrial & Engineering Chemistry Research 54, 462–471 (2015).
  • V. F. Scalfani, C. H. Turner, P. A. Rupar, A. H. Jenkins, and J. E. Bara, "3D Printed Block Copolymer Nanostructures," Journal of Chemical Education 92, 1866-1870, (2015).
  • J. R. Hamilton, A. Abedini, Z. Zhang, J. W. Whitley, J. E. Bara, and C. H. Turner, "Enhancing the Pre-Polymerization Coordination of 1-Vinylimidazole," Chemical Engineering Science 138, 646-654 (2015).

2014

  • H. Liu, Z. Zhang, J. E. Bara, and C. H. Turner, "Electrostatic potential within the free volume space of imidazole-based solvents: insights into gas absorption selectivity," Journal of Physical Chemistry B 118, 255-264 (2014).
  • H. Liu and C. H. Turner, "Adsorption properties of nitrogen dioxide on hybrid carbon and boron-nitride nanotubes," Physical Chemistry Chemical Physics 116 22853-22860 (2014).
  • H. Liu and C. H. Turner, "Oxygen adsorption characteristics on hybrid carbon and boron-nitride nanotubes," Journal of Computational Chemistry 35 (cover article), 1058-1063 (2014).
  • H. Liu, J. E. Bara, and C. H. Turner, "DFT study of the interactions between metal cations and imidazole derivatives," Journal of Physical Chemistry A 118, 3944-3951 (2014).
  • Z. Zhang and C. H. Turner, "Water-induced interactions between boron-doped carbon nanotubes," Journal of Physical Chemistry C 118, 17838-17846 (2014).
  • Z. Zhang and C. H. Turner, "Redox properties of graphenes functionalized with cyclopentadiene-transition metal complexes: a potential redox-active material," Journal of Physical Chemistry C 118, 24633-24640 (2014).

2013

  • L. Guo, B. C. Ivey, A. Aglan, C. Tang, J. Song, C. H. Turner, R. M. Frazier, A. Gupta, H.-T. Wang, "Vapor phase growth of bismuth telluride nanoplatelets on flexible polyimide films," ECS Solid State Letters 2, P19-P21 (2013).
  • W. An and C. H. Turner, "One-dimensional Ni-based nanostructures and their application as solid oxide fuel cell anodes: a DFT investigation," Journal of Physical Chemistry C 117, 1315-1322 (2013).
  • H. Liu, J. E. Bara, and C. H. Turner, "DFT study on the effect of exocyclic substituents on the proton affinity of 1-methylimidazole," Chemical Physics 416 (cover article), 21-25 (2013).
  • Z. Zhang and C. H. Turner, "Structural and electronic properties of carbon nanotubes and graphenes functionalized with cyclopentene-transition metal complexes: a DFT study," Journal of Physical Chemistry C 117, 8758-8766 (2013).
  • M. S. Hindman, A. D. Stanton, A. C. Irvin, D. A. Wallace, J. D. Moon, J. R. Reclusado, H. Liu, K. A. Belmore, Q. Liang, M. S. Shannon, C. H. Turner, and J. E. Bara, "Synthesis of 1,2-dialkyl-, 1,4(5)-dialkyl- and 1,2,4(5)-trialkyl-imidazoles via a one-pot method," Industrial & Engineering Chemistry Research 52, 11880-11887 (2013).
  • H. Liu, Y. Xu, Y. Qin, W. Sanderson, D. Crowley, C. H. Turner, and Y. Bao, "Ligand-directed formation of gold tetrapod nanostructures," Journal of Physical Chemisty C 117, 17143-17150 (2013).

2012

  • C. H. Turner, A. Cooper, Z. T. Zhang, M.S. Shannon, J. E. Bara, "Molecular simulation of the thermophysical properties of N-functionalized alkylimidazoles," Journal of Physical Chemistry B116, 6529-6535 (2012). 

2011

  • 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).

2010

  • 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).