Peer-Reviewed Archival Publications

(reverse chronological order)

• J.W. Nichols, S.G. Moore, and D.R. Wheeler
  “Improved implementation of Kirkwood-Buff solution theory in periodic molecular simulations”
  Phys. Rev. E, accepted for publication (2009).
• D. Hansen, G. Watt, J. Nichols, M. Andrus, D. Wheeler, and S. Choi
  “Viologen catalysts for a direct carbohydrate fuel cell”
  J. Electrochem Soc., 156, B1201-B1207 (2009).
• I.V. Thorat, D.E. Stephenson, N.A. Zacharias, K. Zaghib, J.N. Harb, and D.R. Wheeler
  “Quantifying tortuosity in porous Li-Ion battery materials”
  J. Power Sources, 188, 592-600 (2009).
• C.L. Guymon, J.N. Harb, R.L. Rowley, and D.R. Wheeler
  “MPSA effects on copper electrodeposition investigated by molecular dynamics simulations”
  J. Chem. Phys., 128, 044717 (2008).
• D.E. Stephenson, E.M. Hartman, J.N. Harb, and D.R. Wheeler
  “Modeling of particle-particle interactions in porous cathodes for lithium-ion batteries”
  J. Electrochem. Soc., 154, A1146-A1155 (2007).
• M. Linford, M. Lee, K. Nelson, L. Hutchins, H. Becerril, S. Cosby, J. Blood, D. Wheeler, R. Davis, A. Woolley, and J. Harb
  “Nanografting of silanes on silicon dioxide with applications to DNA localization and copper electroless deposition”
  Chem. Mater., 19, 5052-5054 (2007).
• M. Tan, C. Guymon, D.R. Wheeler, and J.N. Harb
  “The role of SPS, MPSA, and chloride in additive systems for copper electrodeposition”
  J. Electrochem. Soc. 154, D78-D81 (2007).
• I. Thorat, V. Mathur, J. Harb, and D. Wheeler
  “Performance of carbon-fiber-containing LiFePO₄ cathodes for high-power applications”
  J. Power Sources 162, 673-678 (2006).
• D.R. Wheeler
  “A simple classroom demonstration of natural convection”
  Chem. Eng. Educ. 39, 138-141 (2005).
• C.G. Guymon, R.L Rowley, J.N. Harb, and D.R. Wheeler
  “Simulating an electrochemical interface using charge dynamics”
  Cond. Matt. Phys. 8, 335-356 (2005).
• H.A. Becerril, R.M. Stoltenberg, D.R. Wheeler, R.C. Davis, J.N. Harb, and A.T. Woolley
  “DNA-templated three-branched nanostructures for nanoelectronic devices”
  J. Amer. Chem. Soc. 127, 2828-2829 (2005).
• D.R. Wheeler and J. Newman
  “Molecular dynamics simulations of multicomponent diffusion: 2. Nonequilibrium method”
  J. Phys. Chem. B 108, 18362-18367 (2004).
• D.R. Wheeler and J. Newman
  “Molecular dynamics simulations of multicomponent diffusion: 1. Equilibrium method”
  J. Phys. Chem. B 108, 18353-18361 (2004).
• J. Newman, K. Thomas, D. Wheeler, and H. Hafezi
  “Modeling of lithium-ion batteries”
  J. Power Sources 119, 838-843 (2003).
• D.R Wheeler and J. Newman
  “A less expensive Ewald lattice sum”
  Chem. Phys. Lett. 366, 537-543 (2002).
• D.R. Wheeler and R.L. Rowley
  “Shear viscosity of polar liquid mixtures via non-equilibrium molecular dynamics: Water, methanol, and acetone”
  Molec. Phys. 94, 555-564 (1998).
• D. Wheeler, N. Fuller, and R. Rowley
  “Non-equilibrium molecular dynamics simulation of the shear viscosity of liquid methanol: Adaptation of the Ewald sum to Lees-Edwards boundary conditions”
  Molec. Phys. 92, 55-62 (1997).
• D. Wheeler, J. Wang, and R. Adzic
  “The effects of anions on the underpotential deposition of Tl on Pt(111): A voltammetric study," J. Electroanal. Chem. 387, 115-119 (1995).

Conference Proceedings Publications

• A. M. Stux, E. P. Gorzkowski, D. J. Rowenhorst, D. E. Stephenson and D. R. Wheeler
  “Imaging and modeling for engineering the Li-ion battery electrode”
  ECS Trans., 16, 121 (2009).
• D. Hansen, G. Watt, J. Nichols, M. Andrus, D. Wheeler, and S. Choi
  “Viologen catalyst for direct-carbohydrate fuel cell”
  ECS Trans., 16, 2057-2063 (2008).
• K.A. Nelson, S. Cosby, J. Blood, M. Lee, D.R. Wheeler, R. Davis, A. Woolley, M. Linford, and J. Harb
  “Substrate preparation for nanowire fabrication by selective metalization of patterned silane monolayers”
  ECS Trans. 1, 17 (2006).

Presentations at Scientific Conferences

• D. Stephenson, B. Walker, D. Wheeler and D. Rowenhorst
  “3D modeling of particle structure and ion transport in porous Li-ion electrodes”
  216th Meeting of the Electrochemical Society, Vienna, Austria, 2009.
• I. Thorat and D. Wheeler
  “Modeling mass transport in LiFePO₄ and other phase-change materials”
  216th Meeting of the Electrochemical Society, Vienna, Austria, 2009.
• I. Thorat, T. Joshi, J. Harb, and D. Wheeler
  “Understanding electronic resistances in cathodes for high-rate applications”
  216th Meeting of the Electrochemical Society, Vienna, Austria, 2009.
• A.M. Stux, D.J. Rowenhorst, E.P. Gorzkowski, D.E. Stephenson, and D.R. Wheeler
  “Probing Li-ion battery electrode architectures with a focused ion beam and modeling”
  2009 MRS Spring Meeting, San Francisco, CA.
• K.A. Nelson, H.J. Conley, B. Davis, D.R. Wheeler, M.R. Linford, J.N. Harb, and R.C. Davis
  “Nanografting of thin polymer layers on silicon oxide to produce chemically templated surfaces”
  237th ACS National Meeting, Salt Lake City, UT, 2009 (INOR-419).
• I. Thorat, D. Stephenson, J. Harb, and D. Wheeler
  “Understanding transport limitations in porous composite cathodes for high-rate applications”
  214th Meeting of the Electrochemical Society, Honolulu, HI, 2008.
• D. Hansen, G. Watt, J. Nichols, M. Andrus, S. Choi, and D. Wheeler
  “Viologen catalyst for direct-carbohydrate fuel cell”
  214th Meeting of the Electrochemical Society, Honolulu, HI, 2008.
• A. Stux, D. Rowenhorst, D. Stephenson, J. Harb, and D. Wheeler
  “Imaging and modeling for engineering the Li-ion battery electrode”
  214th Meeting of the Electrochemical Society, Honolulu, HI, 2008.
• M. Linford, M. Lee, K. Nelson, A. Woolley, D. Wheeler, R. Davis, and J. Harb
  “Nanografting of silanes on silicon dioxide with applications to DNA localization and copper electroless deposition”
  ACS 82nd Colloid & Surface Science Symposium, NC State University, June 2008.
• D. Wheeler and A. Asthana
  “A model for proton transfer in large-scale simulations”
  ACS 21st Rocky Mountain Regional Meeting, Park City, UT, June 2008.
• I. Thorat, D. Stephenson, V. Mathur, B. Walker, E. Hartman, J. Harb, and D. Wheeler
  “Effect of morphology and thickness on high-rate discharge performance of porous composite cathodes”
  212th Meeting of the Electrochemical Society, Washington, DC, 2007.
• D. Wheeler and C. Guymon
  “Simulating the electrochemical double layer using charge dynamics”
  2006 Annual Meeting of AIChE, San Francisco, CA.
• D. Stephenson, I. Thorat, E. Hartman, J. Harb, and D. Wheeler
  “Fundamental investigation of inter-particle contact in porous composite cathodes”
  210th Meeting of the Electrochemical Society, Cancun, Mexico, 2006.
• D. Stephenson, D. Wheeler, and J. Harb
  “Fundamental investigation of mixed-oxide cathodes for rapid-charge lithium-ion batteries”
  209th Meeting of the Electrochemical Society, Denver, CO, 2006.
• K. Nelson, J. Blood, S. Cosby, M. Lee, J. Harb, D. Wheeler, M. Linford, A. Woolley and R. Davis
  “Selective metallization of AFM-patterned functionalized silane monolayers”
  208th Meeting of the Electrochemical Society, Los Angeles, CA, 2005.
• C. Guymon, J. Harb and D. Wheeler
  “MPSA behavior near a copper surface through molecular simulation and experiment”
  208th Meeting of the Electrochemical Society, Los Angeles, CA, 2005.
• V. Mathur, I. Thorat, D. Wheeler and J. Harb, “Carbon-fiber containing LiFePO₄ cathodes for high-power applications”
  208th Meeting of the Electrochemical Society, Los Angeles, CA, 2005.
• D. Wheeler and P. Balbuena
  “Modeling of low-temperature fuel cells”
  NSF Workshop on Low-Temperature Fuel Cells, Arlington, VA, June 2005.
• C.G. Guymon and D.R. Wheeler
  “Simulated additive behavior in a copper-deposition bath using molecular dynamics”
  206th Meeting of the Electrochemical Society, Honolulu, HI, 2004.
• D. Wheeler, G. Gessel, A. Henrichsen, and M. Winters
  “Molecular simulations of lithium and anion transport in liquid carbonate electrolytes”
  206th Meeting of the Electrochemical Society, Honolulu, HI, 2004.
• D. Wheeler
  “Simulating the electrochemical interface using charge dynamics”
  Symposium on Basic and Applied Statistical Physics of Condensed Matter (in Honor of the 70th Birthday of Douglas Henderson), Provo, UT, 2004.
• D. Wheeler
  “A better Ewald lattice sum”
  2002 Annual Meeting of AIChE, Indianapolis, IN.
• D. Wheeler and J. Newman
  “Molecular dynamics simulations of diffusion in lithium battery electrolytes”
  2001 Annual Meeting of AIChE, Reno, NV.
• D. Wheeler and J. Newman
  “Molecular dynamics simulations of multicomponent diffusion in liquid electrolytes”
  196th Meeting of the Electrochemical Society, Honolulu, HI, 1999.
• D. Wheeler and R. Rowley
  “Non-equilibrium molecular dynamics of liquid mixture shear viscosity”
  1997 Annual Meeting of AIChE, Los Angeles, CA.
• H. Huang, D. Wheeler, and G. Watt, "Ligand reactivity of Femoco isolated from the nitrogenase enzyme," Abstr. Amer. Chem. Soc. 208, 495-INOR (1994).

Invited Presentations

• D. Wheeler
  “The engineering of water rockets”
  Brigham Young University, Chemical Engineering Department, 2003.
• D. Wheeler
  “The technology of lithium batteries and fuel cells”
  University of Nevada at Reno, Chemical Engineering Department, 2003.
• D. Wheeler
  “Molecular simulations of diffusion in electrolytes”
  University of Nevada at Reno, Chemical Engineering Department, 2003.
• D. Wheeler
  “Molecular simulations of diffusion in electrolytes”
  University of California, Berkeley, Chemical Engineering Department, 2002.
• D. Wheeler
  “Molecular dynamics simulations of aqueous electrolytes”
  Meeting of the San Francisco Section of The Electrochemical Society, 2000.