Publications

Hydrogen Production

M. Zhao, X. Yang, T. L. Church, A. T. Haris, "A novel CaO-SiO2 sorbent and bifunctional Ni/Co-CaO/SiO2 complex for selective H2 synthesis from cellulose" Environmental Science and Technology 46 (2012) 2976–2983

M. Zhao, X. Yang, T. L. Church, A. T. Haris, "Interaction between a bimetallic Ni-O catalyst and micrometer-sized CaO for enhanced H2 production during cellulose decomposition" International Journal of Hydrogen Energy 36 (2011) 421-431

V. Luca, M. Blackford, K. Finnie, P. Evans, M. James, P. Barnes "Sol-Gel tungsten oxide-titanium oxide multilayer thin films structural properties and water splitting" Journal of Physical Chemistry C. 111 (2007), 18479-18492

B. Yang, Y. Zhang, E. Drabarek, P. R. F. Barnes, V. Luca "Enhanced photocatalytic activity of sol-gel tungsten trioxide films through textural control" Chemistry of Materials 19 (2007) 5664-5672.

B. Yang, P. F. R. Barnes, W. Bertram, V. Luca "Strong photoresponse of nanostructured tungsten trioxide films prepared via a sol-gel route" Journal of Materials Chemistry 17 (2007) 2722-2729.

B. Yang, Y. Zhang, P. R. F. Barnes, V. Luca Enhanced photocatalytic activity of sol-gel synthesised mesoporous tungsten trioxide film Catalysis Letters 118 (2007) 280-284.

B. Yang, H.J. Li, M. Blackford, "V. Luca Novel low density mesoporous WO3 films prepared by electrodeposition" Current Applied Physics 6 (2006), 436-439.

Gas Storage and Separation Materials

E. D. Bloch, W. L. Queen, R. Krishna, J. M. Zadrozny, C. M. Brown, J. R. Long, "Hydrocarbon separations in a metal-Organic framework with open iron(II) coordination sites, Science, 335 (2012) 1606-1610

W. L. Queen, E. B. Bloch, C. M. Brown, M. R. Hudson, J. A. Mason, L. J. Murray, A. J. Ramirez-Cuesta, V. K. Peterson, J. R. Long, “Hydrogen adsorption in the metal-organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)” Dalton Transactions. 41 (2012) 4180-4187.
 

X. Yang, L. Yuan, V. K. Peterson, Y. Yin, A. I. Minett, A. T. Harris “Facile preparation of free-standing carbon nanotube arrays produced using two-step floating-ferrocene chemical vapour deposition”  ACS Applied Materials & Interfaces. 4 (2012)  1417-1422.

M. Ricco, D. Pontiroli, M. Mazzani, M. Choucair, J. A. Stride, O. V. Yazyev, "Muons probe strong hydrogen interactions with defective graphene" Nano Letters 11 (2011) 4919-4922.

V. K. Peterson, E. Shoko, G. J. Kearley, "The effect of host relaxation and dynamics on guest molecule dynamics in H2/tetrahydrofuran-hydrate" Faraday Discussions 151 (2011) 37-46.

E. D. Bloch, L. J. Murray, W. L. Queen, S. Chavan, S. N. Maximoff, J. P. Bigi, R. Krishna, V. K. Peterson, F. Grandjean, G. J. Long, B. Smit, S. Bordiga, C. M. Brown, J. R. Long, "Selective binding of O2 over N2 in a redox-active metal-organic framework with open iron(II) coordination sites, Journal of the American Chemical Society 133 (2011) 14814-14822.

M. A. Nadeem, A. W. Thornton, M. R. Hill, J. A. Stride, "A flexible copper based microporous metal-organic framework displaying selective adsorption of hydrogen over nitrogen" Dalton Transactions 40 (2011) 3398-3401.

W. L. Queen, C. M. Brown, D. K. Britt, P. Zajdel, M. R. Hudson, O. M. Yaghi, "Site-specific CO2 adsorption and zero thermal expansion in an anisotropic pore network Journal of Physical Chemistry C 115 (2011) 24915–24919.

M. Paskevicius, D. A. Sheppard, A. L. Chaudhary, C. J. Webb, E. M. A. Gray, H. Y. Tian, V. K. Peterson, C. E. Buckley, "Kinetic limitations in the Mg-Si-H system" International Journal of Hydrogen Energy 36 (2011) 10779-10786.

X. Yang, L. Yuan, V. K. Peterson, Y. Yin, A. Minett, A. T. Haris, "Open-ended aligned carbon nanotube arrays produced using CO2-assisted floating-ferrocene chemical vapor deposition" Journal of Physical Chemistry C 115 (2011) 14093-14097

H. Wu, J. M. Simmons, Y. Liu, C. M. Brown, X.-S. Wang, S. Ma, V. K. Peterson, P. D. Southon, C. J. Kepert, H.-C. Zhou, T. Yildirim, W. Zhou, Metal−Organic Frameworks with Exceptionally High Methane Uptake: Where and How is Methane Stored Chemistry A Euro Journal. 16, (2010) 5205-5214.

N. Lock, Y. Wu, M. Christensen, L. J. Cameron, V. K. Peterson, A. J. Bridgeman, C. J. Kepert, B. B. Iversen, "Elucidating negative thermal expansion in MOF-5" Journal of Physical Chemistry C 114 (2010) 16181-16186.

V K. Peterson, G J. Kearley, Y Wu, A J Ramirez-Cuesta, E Kemner, C J. Kepert Local Vibrational Mechanism for Negative Thermal Expansion: A Combined Neutron Scattering and First-Principles Study Angewandte Chemie International Edition 49(3) 2010, 585-588

C.M. Brown, Y. Liu, T. Yildirim, V.K. Peterson, C.J. Kepert, "Hydrogen adsorption in HKUST-1:a combined inelastic neutron scattering and first-principlees study", Nanotechnology, 20 (2009) 204025

Y. Wu, A. Kobay, V.K. Peterson, G. J. Halder, K. W. Chapman, N. Lock, P.D. Southon, C. J. Kepert, Negative Thermal Expansion in the Metal-Organic Framework Material Cu3(btc)2 (btc = 1,3,5-benzenetricarboxylate) Angew. Chem. Int. Ed. 2008, 47, 8929 8932

F. M. Mulder, M. Wagemaker, L van Eijck, G. J. Kearley, "Hydrogen in porous tetrahydrofuran clathrate hydrate" ChemPhysChem, 9 (2008) 1331-1337.

F. M. Mulder, T. J. Dingemans, H.G. Schimmel, A. J. Ramirez-Cuesta, G. J. Kearley "Hydrogen adsorption strengths and sites in the metal organic framework MOF5: Comparing experiment and model calculations", Chemical Physics 351 (2008) 72-76.

C. J. Kepert and V. K. Peterson "Hydrogen Storage: a crucial step on the road to the Hydrogen Economy" Australasian Science, March, 2008.
Y. Liu, C.M. Brown, D. A. Neumann, V. K. Peterson, C. J. Kepert, "Inelastic neutron scattering of H2 adsorbed in HKUST-1" Journal of Alloys and Compounds. 446447 (2007) 385-388

V. K. Peterson, Y. Liu, C. M. Brown, C. J. Kepert "Structural characterization of D2 in Cu3(1,3,5-benzenetricarboxylate)2 using neutron powder diffractionMaterials Science Forum 561-565 (2007) 1601-1604

V. K. Peterson, Y. Liu, C. M. Brown, C. J. Kepert, "Neutron powder diffraction study of D2 sorption in Cu3(1,3,5-benzenetricarboxylate)2," Journal of the American Chemical Society. 128 (2006) 15578-15579. Featured in Chemical & Engineering News, American Chemical Society, Hydrogen storage gets a boost: Direct H2 binding to metal atoms beefs up capacity January 1, 2007 , Volume 85, Number 01 p. 11, Steve Ritter.

M. Hartman, V. K. Peterson, D.A. Neumann, Y. Liu, S. Kaye, J. Long, "Neutron diffraction and neutron vibrational spectroscopy studies of hydrogen adsorption in the Prussian blue analogue Cu3[Co(CN)6]2" Chemistry of Materials 18 (2006) 3221-3224.

H. G. Schimmel, G. Nijkamp, G. J. Kearley, A. Rivera, K. P. de Jong, F. M. Mulder Hydrogen adsorption in carbon nanostructures compared Materials Science Engineering, B108 (2004) 124-129.

H. G. Schimmel, M. R. Johnson, G. J. Kearley, A. J. Ramirez-Cuesta, J. Huot, F. M. Mulder "Structural information on ball milled magnesium hydride from vibrational spectroscopy and ab-initio calculations." Journal of Alloys and Compounds, 393 (2005) 1-4.

F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley Modelling of hydrogen adsorption in the metal organic framework MOF5 Chemical Physics 317 (2005) 113-118.

H. G. Schimmel, G. J. Kearley, J. Huot, F. M. Mulder "Hydrogen diffusion in magnesium metal (alpha phase) studied by ab initio computer simulations" Journal of Alloys and Compounds, 404 (2005) 235-237.

Fuel Cell Materials

W. K. Chan, L. A. Haverkate, W. J. H. Borghols, M. Wagemaker, S. J. Picken, E. R. H. van Eck, A. P. M. Kentgens, M. R. Johnson, G. J. Kearley, F. M. Mulder, "Direct view on nanoionic proton mobility" Advanced Functional Materials 21 (2011) 1364-1374.

S. Danilkin, M. Avdeev, T. Sakuma, R. Macquart, C. Ling, M. Rusina, Z. Izaola, "Neutron scattering study of short-range correlations and ionic diffusion in copper selenide" Ionics 17 (2011) 75-80.

S. A. Danilkin, M. Avdeev, T. Sakuma, R. Macquart, C. D. Ling "Neutron diffraction study of diffuse scattering in Cu2-delta Se superionic compounds" Journal of Alloys and Compounds 509 (2011) 5460-5465.

E. Shoko, M. F.Smith, R. H. McKenzie “Charge distribution and transport properties in reduced ceria phases: A review” Journal of Physics and Chemistry of Solids 72 (2011) 1482-1494.

N. Sharma, R. B. Macquart, M. Avdeev, M. Christensen, G. J. McIntyre, Y. Chen, C. D. Ling, "Re-investigation of the structure and crystal chemistry of the Bi2O3W2O6 type Ib solid solution using single crystal neutron and synchrotron X-ray diffraction", Acta Crystallographica., Section B: Structural Science 66, (2010) 165-172

C. D. Ling, M. Avdeev, V. V. Kharton, A. A. Yaremchenko, S. Fialkova, N. Sharma, R. B. Macquart, M. Hoelzel, M. Gutmann Structures, phase transitions, hydration and ionic conductivity of Ba4Nb2O9, Chemistry of Materials, 21 (2009) 3853-3864.
 

N. Sharma, R. L. Withers, K. S. Knight, C. D. Ling Structure, Crystal Chemistry, and Thermal Evolution of the d-Bi2O3-related Phase Bi9ReO17, Journal of Solid State Chemistry 182 (2009) 2468-2474

N. Sharma, R. B. Macquart, M. Christensen, Y. Chen, C. D. Ling Structure and Crystal Chemistry of Fluorite-related Bi38Mo7O78 from Single Crystal X-ray Diffraction and ab initio Calculations, Journal of Solid State Chemistry 182 (2009) 1312-1318

S.A. Danilkin, "Diffuse Scatteering and Lattice Dynamics of Superionic Copper Chalcogenides, Solid State Ionics", 180 (2009) 483-487
 

S.A. Danilkin, "An investigation of the structural dynamics in the fast ionic conductor Cu2−δSe using neutron scattering, J. Alloys and Compounds, 476 (2009) 509-513.

A. A. Yaremehenko, V. V. Kharton, M. Avdeev, A. L. Shaula, F. M. B. Marques "Oxygen permeability, thermal expansion and stability of SrCo0.8Fe0.2O3-d-SrAl2O4 Composites" Solid State Ionics 178 (2007) 1205-1217.
 

S. A. Danilkin, N. N. Bickulova, "An investigation of the structural dynamics in the fast ionic conductor Cu2-dSe using neutron scattering" Proceedings of 31st Annual Condensed Matter and Materials Meeting, Wagga Wagga NSW, 6-9 February 2007, http://www.aip.org.au/wagga2007/2007_6.pdf.

Battery Materials

N. Sharma, X. Guo, G. Du, Z. Guo, J. Wang, Z. Wang, V. K. Peterson. "Direct experimental evidence of concurrent solid-solution and two-phase reactions and the non-equilibrium structural evolution of LiFePO4” Journal of The American Chemical Society. In Press.

N. Sharma and V.K. Peterson, “In situ neutron powder diffraction studies of lithium-ion batteries” Journal of Solid State Electrochemistry, 16, (2012) 1849-1856.

R. P. Rao, N. Sharma, V. K. Peterson, S. Adams, “Variation in structure and li+-ion migration in argyrodite-type Li6PS5X (X = Cl, Br, I) solid rlectrolytes” Journal of Solid State Electrochemistry, 16, (2012) 1807-1813.

R.J. Gummow, N. Sharma, V. K. Peterson, Y. He “Synthesis, structure, and electrochemical performance of magnesium-substituted lithium manganese orthosilicate cathode materials for lithium-ion batteries” Journal of Power Sources, 197 (2012) 231– 237.
 

R.J. Gummow, N. Sharma, V.K. Peterson, Y. He, “Crystal Chemistry of the Pmnb polymorph of Li2MnSiO4” Journal of Solid State Chemistry. 188 (2012) 32–37 (Journal Cover)

Z. X. Yang, G. D. Du, Z. P. Guo, X. B. Yu, Z. X. Chen, T. L. Guo, N. Sharma, H. K. Liu, "TiO2 anatase hybrid nanowires with highly reversible electrochemical performance" Electrochemical Communications 13 (2011) 46-49.

M. Wagemaker, D. P. Singh, W. J. H. Borghols, U. Lafont, L. Haverkate, V. K. Peterson, F. M. Mulder, "Dynamic solubility limits in nanosized olivine LiFePO4" Journal of the Americal Chemical Society 133 (2011) 10222–10228.

N. Sharma, M. V. Reddy, G. Du, S. Adams, B. V. R. Chowdari, Z. Guo, V. K. Peterson, "Time-dependent in-situ neutron diffraction investigation of a Li(Co0.16Mn1.84)O4 cathode" Journal of Physical Chemistry C 115 (2011) 21473-21480.

N. Sharma, G. Du, A. J. Studer, Z. Guo, V. K. Peterson, "In-situ neutron diffraction study of the MoS2 anode using a custom-built Li-ion battery" Solid State Ionics 199-200 (2011) 37-43.

M. V. Reddy, M. J. S. Raju, N. Sharma, P. Y. Quan, S. H. Nowshad, H. E. C. Emmanuel, V. K. Peterson, B. V. R. Chowdari, "Preparation of Li1.03Mn1.97O4 and Li1.06Mn1.94O4 by the polymer precursor method and X-ray, neutron diffraction and electrochemical studies, Journal of the Electrochemical Society 158 (2011) A1231-A1236

M. Minakshi, N. Sharma, D. Ralph, D. Appadoo, K. Nallathamby, "Synthesis and characterization of Li(Co0.5Ni0.5)PO4 cathode for Li-Ion aqueous battery applications, Electrochemical and Solid-State Letters 14 (2011) A86-A89.

M. Minakshi, P. Singh, N. Sharma, M. Blackford, M. Ionescu, "Lithium extraction-insertion from/into LiCoPO4 in aqueous batteries" Industrial and Engineering Chemistry Research 50 (2011) 1899-1905.

R. J. Gummow, N. Sharma, V. K. Peterson, Y. He, "Synthesis, structure, and electrochemical performance of magnesium-substituted lithium manganese orthosilicate cathode materials for lithium-ion batteries" Journal of Power Sources 197 (2011) 231-237.

G. D. Du, N. Sharma, V. K. Peterson, J. A. Kimpton, D. Z. Jia, Z. P. Guo, "Br-doped Li4Ti5O12 and composite TiO2 anodes for Li-ion batteries: Synchrotron X-Ray and in situ neutron diffraction studies, Advanced Functional Materials 21 (2011) 3990-3997.

N. Sharma, V. K. Peterson, M. M. Elcombe, M. Avdeev, A. J. Studer, N. Blagojevic, R. Yusoff, N. Kamarulzaman, "Structural changes in a commercial lithium-ion battery during electrochemical cycling: An in situ neutron diffraction study" Journal of Power Sources 195 (2010) 8258-8266.

N. Kamarulzaman, R. Yusoff, N. Kamarudin, N. H. Shaari, N. A. A. Aziz, M. A. Bustam, N. Blagojevic, M. Elcombe, M. Blackford, M. Avdeev, A. K. Arof, "Investigation of cell parameters, microstructures and electrochemical behaviour of LiMn2O4 normal and nano powders", Journal of Power Sources 188 (2009) 274-280

O. Kruglova, E. Mendes, Z. Yildirim, M. Wübbenhorst, F. M. Mulder, J. A. Stride, S. J. Picken, G. J. Kearley "Structure and dynamics of a discotic liquid-crystalline charge-transfer complex" ChemPhysChem 8 (2007) 1338-134.

M. Wagemaker, W. J. H. Borghols, E. R. H. van Eck, A. P. M. Kentgens, G. J. Kearley, F. M. Mulder "The Influence of Size on Phase Morphology and Li-Ion Mobility in Nanosized Lithiated Anatase TiO2"Chemistry - A European Journal, 13 (2007) 2023-2028.

M. J. Lindsay, D. J. Attard, V. Luca, M. Skyllas-Kazacos, C. S. Griffith "Anodic titania as an anode material for lithium ion batteries" Electrochimcia Acta, 52 (2007), 6401-6411.

N. A. Milne, C. Griffiths, J. V. Hanna, M. Skyllas-Kazacos V. Luca "Lithium intercalation into the titanosilicate sitinakite and doped derivatives" Chemistry of Materials 18 (2006) 3192-3203.

F. C. Grozema, A. S. Best, L. van Eijck, J. Stride, G. J. Kearley, S. W. de Leeuw, S. J. Picken, "Dynamics and lithium binding energies of polyelectrolytes based on functionalized Poly(para-phenylene terephthalamide)" Journal of Physical Chemistry B 109 (2005) 7705-7712.
 

M. Wagemaker, A. Van Der Ven, D. Morgan, G. Ceder, F.M. Mulder, G.J. Kearley "Thermodynamics of spinel LixTiO2 from first principles" Chemical Physics 317 (2005) 130-136.

L. van Eijck , A. S. Best, J. Stride, G. J. Kearley, "Softening of the potential-energy surface in polymer electrolytes on the addition of nanoparticles." Chemical Physics 317 (2005) 282-288. Thermoelectric Materials

G. J. Thorogood, B. J. Kennedy, V. K. Peterson, M. M. Elcombe, G. J. Kearley, J. V. Hanna, V. Luca, "Anomalous lattice parameter increase in alkali earth aluminium substituted tungsten defect pyrochlores" Journal of Solid State Chemistry 182, (2009) 457-464

G. J. Thorogood, B. J. Kennedy, M. Avdeev, V. K. Peterson, J. V. Hanna, V. Luca, "Cation disorder in NaW2O6+d.nH2-zO post ion exchange with K, Rb, Sr, and Cs" Journal of Physics and Chemistry Solids 72 (2011) 692-700.

Solar Cell Materials

P. Zhu, Y. Wu, M. V. Reddy, A. S. Nair, S. Peng, N. Sharma,V. K. Peterson, B. V. R. Chowdari, S. RamakrishnaTiO2 Nanoparticles Synthesized by the Molten Salt Method as a Dual Functionality Material for Dye-Sensitized Solar Cells. RSC Advances. In Press

L. Haverkate, M. Zbiri, M. Johnson, B. Deme, F.M. Mulder, G.J. Kearley, "Conformation, defects and dynamics of a discotic liquid crystal and their influence on charge transport" Journal of Physical Chemistry B, 115  (2011) 13809–13816

O. Kruglova, F. M. Mulder, G. J. Kearley, S. J. Picken, J. A. Stride, I. Paraschiv, H. Zuilhof, "Dispersive kinetics in discotic liquid crystals" Physical Review E 82 (2010) Art. No. 051703.

M. Zbiri, M. R. Johnson, G. J. Kearley, F. M. Mulder, "Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT(6)" Theoretical Chemistry Accounts, 125 (2010) 445-451.

M. Zbiri, M.R. Johnson, G.J. Kearley, F.M. Mulder, "Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT6" Theoretical Chemistry Accounts, (2009) DOI 10.1007/s00214-009-0559-3.
 

O. Kruglova, F. M. Mulder, A. Kotlewski, S. J. Picken, S. Parker, M. R. Johnson, G. J. Kearley, "A compact model system for electron-phonon calculations in discotic materials" Chemical Physics 330 (2006) 360-364.

O. Kruglova, F. M. Mulder, L. D. A. Siebbeles, G. J. Kearley "Coupling between local vibrations and charge transport in discotic materials" Chemical Physics, 330 (2006) 333-337.

J. A. Tang, B. D. Ellis, T. H. Warren, J.V. Hanna, C. L. B. Macdonald, R. W. Schurko, "Solid State 63Cu and 65Cu NMR spectroscopy of inorganic and organometallic copper(I) complexes" Journal of the American Chemical Society 129 (2007) 13049-13065.