M3S CDT Publications

Abdelaziz Cadi Essadek

 

A. Cadi-Essadek, R. Roldan Martinez, N. H. de Leeuw,deposition on yttria-stabilized ZrO2(111) surfaces: A density functional theory study. Journal of Physical Chemistry C, 2015, 119 (2), pp. 6581-6591.

A. Cadi-Essadek, A. Roldan, and N. H. de Leeuw. Density Functional Theory Study of Ni Clusters Supported on the ZrO2 (111) Surface. Fuel Cells From Fundamentals To Systems. Accepted

A.Cadi-Essadek, A. Roldan, and N. H. de Leeuw. Density Functional Theory Study of the Interaction of H2O, CO2 and CO with the ZrO2 (111), Ni/ZrO2 (111), YSZ (111) and Ni/YSZ (111) Surfaces. Surface Science, 2016, 653 (November 2016), pp 153-162

A.Cadi-Essadek, A. Roldan, and N. H. de Leeuw. Ni Deposition on Yttria-Stabilized ZrO2(111) Surfaces: A Density Functional Theory Study. J. Phys. Chem. C, 2015, 119 (12), pp 6581–6591

 Agne Kazakeviciute

J.M. Connolly, K. Davies, A. Kazakeviciute, A. M. Wheatley, P. Dockery, I. Keogh & M. Olivo, Non-invasive and label-free detection of oral squamous cell carcinoma using saliva surface-enhanced Raman spectroscopy and multivariate analysis, Nanomedicine: Nanotechnology, Biology, and Medicine, Volume 12, pages 1593-1601, (2016).

A. Kazakeviciute & M. Olivo, A study of logistic classifier: uniform consistency in finite-dimensional linear spaces, Journal of Mathematics, Statistics & Operations Research, Volume 3, Number 2 (2016).

A. Kazakeviciute, C. J-H. Ho & M. Olivo, Multispectral Photoacoustic Imaging Artifact Removal and Denoising Using Time Series Model-Based Spectral Noise Estimation, IEEE Transactions on Medical Imaging, Volume 35, Issue 9, pages 2151-2163, (2016).

Alan Lobo

A. M.Beale, M. G.O'Brien, M. Ksunic, A. Golobic, M. Sanchez-Sanchez, A. J. W. Lobo, D. W. Lewis, D. S. Wragg, S. Nikitenko, W. Bras, B. M. Weckhuysen, Probing ZnAPO-34 self-Aassembly using simultaneous multiple in situ techniques, J. Phys. Chem. C 115, 6331-6340 (2011)a

R. Brent, A. J. W. Lobo, D. W. Lewis, M. W. Anderson, Modifying the crystal habit of zeolite L by addition of an organic space filler, J. Phys. Chem. C, 114, 18240-18246 (2010).

P. Cubillas, M. Castro, A. J. W. Lobo, B. Slater, D. W. Lewis, P. A. Wright, S.M. Stevens, M. W. Anderson, Spiral growth on nanoporous silicoaluminophosphate STA-7 as observed by atomic force microscopy, Crystal Growth and Design, 2009, 9, 9, 4041-4050.

Alex Ganose

A. E. Maughan, A. M. Ganose, M. Bordelon, E. M. Miller, D. O. Scanlon, and J. R. Neilson,“Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs2SnI6 and Cs2TeI6”, J. Am. Chem. Soc., 2016, 138 (27), pp 8453–8464

N. F. Quackenbush, H. Paik, M. J. Wahila, S. Sallis, M. E. Holtz, X. Huang, A. M. Ganose, B. J.  Morgan, D. O. Scanlon, Y. Gu, F. Xue, L.-Q. Chen, G. E. Sterbinsky, C. Schlueter, T.-L. Lee, J. C. Woicik, J.-H. Guo, J. D. Brock, D. A. Muller, D. A. Arena, D. G. Schlom, and L. F. J. Piper, "The stability of the M2 phase of vanadium dioxide induced by coherent epitaxial strain", Phys. Rev. B, 2016, 94, 085105

A. M. Ganose, M. Cuff, K. T. Butler, A. Walsh and D. O. Scanlon, "Interplay of Orbital and Relativistic Effects in Bismuth Oxyhalides: BiOF, BiOCl, BiOBr and BiOI", Chem. Mater., 2016, 28, 1980

A. M. Ganose, K. T. Butler, A. Walsh and D. O. Scanlon, "Relativistic Electronic Structure and Band Alignment of BiSI and BiSeI: Candidate Photovoltaic Materials", J. Mater. Chem. A, 2016, 4, 2060

C. N. Savory, A. M. Ganose, W. Travis, R. S. Atri, R. G. Palgrave and D. O. Scanlon, "An Assessment of Silver Copper Sulphides for Photovoltaic Applications: Theoretical and Experimental Insights", J. Mater. Chem. A, 2016, 4, 12648

A. M. Ganose, C. N. Savory and D. O. Scanlon, "(CH3NH3)2Pb(SCN)2I2: a more stable structural motif for hybrid halide photovoltaics?", J. Phys. Chem. Lett., 2015, 6, 4594

 Alex O'Malley

A. J. O’Malley, A. J. Logsdail, A. A. Sokol and C. R. A. Catlow, Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts, Faraday Discuss., (2016), 188, 235-255

A. J. O'Malley, S. F. Parker, A. Chutia, M. R. Farrow, I. P. Silverwood, V. García-Sakai and C. R. A. Catlow, Room temperature methoxylation in zeolites: insight into a key step of the methanol-to-hydrocarbons process, Chem. Commun., (2016), 52, 2897-2900

A.J. O'Malley,S.F. Parker, A. Chutia,M.R Farrow,I.P. Silverwood, V. García-Sakai, C.R.A. Catlow, Room temperature methoxylation in zeolites: insight into a key step of the methanol-to-hydrocarbons process. Chemical Communications , 2016, 52 (14) , pp. 2897-2900

A.J. O'Malley, V. Garcia Sakai, I.P. Silverwood,  N. Dimitratos,  S.F.Parker, and C.R.A Catlow, Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study. Physical Chemistry Chemical Physics, 2016 18 (26) , pp. 17294-17302.

A. J. O'Malley, I. Hitchcock,  M. Sarwar,I.P.Silverwood, C. R. A. Catlow,  A. P. E. York and  P. J. Collier, Ammonia mobility in chabazite: insight into the diffusion component of the NH3-SCR process, Phys. Chem. Chem. Phys., 2016,18, 17159-17168

A. J. O’Malley, C.R.A. Catlow, M. Monkenbusch, and H. Jobic “Diffusion of Isobutane in Silicalite: A Neutron Spin–Echo and Molecular Dynamics Simulation Study”, J. Phys. Chem. C, 2015, 119 (48), pp 26999–27006

A. J. O’Malley and C. R. A. Catlow, Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment , Phys. Chem. Chem. Phys., (2015),17, 1943-1948

A. J. O’Malley and C. R. A. Catlow, Molecular dynamics simulations of longer n-alkanes in silicalite: a comparison of framework and hydrocarbon models Phys. Chem. Chem. Phys., (2013), 15, 19024-19030

 Alex Smith

S. Perkin, L. Crowhurst, H. Neidermeyer, T. Welton, A.M. Smith, N.N. Gosvami, Self-assembly in the electrical double layer of ionic liquid, Chem. Commun., 2011.

 Ana Estandarte

I. Robinson, M. Yusuf, J. Schwenke, A. Estandarte, F. Zhang, G. Bhella, N. Parmar, J. Clark, C. Song, D. Nam, G. Ratnasari, K. Kaneyoshi, H. Takata and K. Fukui, Damage-free imaging of human chromosomes, Chromosome Science 2016, 18 69-72

L. Shemilt, J. Schwenke, E. Verbanis, F. Zhang, M. Yusuf, A. K. Estandarte, G. Xiong, R. Harder and I. K. Robinson, Karyotyping human chromosomes by optical and X-ray ptychography methods, Biophysical Journal, 2015, 108 706–713

L. A. Shemilt, A. K. C. Estandarte, M. Yusuf and I. K. Robinson, Scanning Electron Microscope studies of human metaphase chromosomes, Philosophical Transactions of the Royal Society A, 2014, 372 20130144.

M. Yusuf, B. Chen, T. Hashimoto, A. K. Estandarte, G. Thompson and I. K. Robinson, Staining and Embedding of Human Chromosomes for 3-D Serial Block-Face Scanning Electron Microscopy, Biotechniques , 2014, 57 302

M. Yusuf, A. Millas, A. K. Estandarte, G. K. Bhella, E. Bittencourt and I. K. Robinson, Platinum blue staining of cells grown in electrospun scaffolds, BioTechniques, 2014, 57 137-141

Andrew Breeson 

A.C. Breeson, G. Sankar, G.K.L. Goh, R. Palgrave, “Rutile to anatase phase transition induced by N doping in highly oriented TiO2 films” Phys. Chem. Chem. Phys., 2016, 18 (35), 24722-24728

 Andrew Harris

M. Kajita, C. Hogan, A.R. Harris, S. Dupre-Crochet, N. Itasaki, K. Kawakami, G. Charras, M. Tada, Y. Fujita, Interaction with surrounding normal epithelial cells influences signalling pathways and behaviour of Src-transformed cells, J Cell Sci, 123, 171-80 (2010).

 Anna Gould

A.L. Gould, K. Rossi, C.R.A. Catlow, F. Baletto, & A.J.Logsdail. Controlling Structural Transitions in AuAg Nanoparticles Through Precise Compositional Design. The Journal of Physical Chemistry Letters.(2016)

A. L. Gould, A.J. Logsdail, & C.R.A Catlow. Influence of Composition and Chemical Arrangement on the Kinetic Stability of 147-Atom Au–Ag Bimetallic Nanoclusters. The Journal of Physical Chemistry C, 2015,119(41), 23685-23697

A.L.Gould, S. Kadkhodazadeh, J. B. Wagner, C.R.A. Catlow, A.J. Logsdail, & M.Di Vece. Understanding the Thermal Stability of Silver Nanoparticles Embedded in a-Si. The Journal of Physical Chemistry C, 2015, 119(41), 23767-23773

S. M. Rogers, C.R.A. Catlow, C.E. Chan-Thaw, D. Gianolio, E.K. Gibson, A.L. Gould & N. Dimitratos.Tailoring Gold Nanoparticle Characteristics and the Impact on Aqueous-Phase Oxidation of Glycerol. ACS Catalysis, 2015, 5(7), 4377-4384

A. L. Gould, C.J. Heard, A.J. Logsdail, & C.R.A Catlow, Segregation effects on the properties of (AuAg) 147. Physical Chemistry Chemical Physics, 2014,16(39), 21049-21061,

 Anna Ploszajski

A. S. Nathanson,   A. R. Ploszajski,   M. Billing,  J. P. Cook,   D. W. K. Jenkins,   T. F. Headen,  Z. Kurban,   A. Lovell and   S. M. Bennington,  Ammonia borane–polyethylene oxide composite materials for solid hydrogen storage, Journal of Materials Chemistry A, 2015, Volume3, pages 3683-3691

 Ashley Shields

A. E. Shields, D. Santos Carballal, N. H. de Leeuw, A density functional theory study of uranium-doped thoria and uranium adatoms on the major surfaces of thorium dioxide. Journal of Nuclear Materials 2016, 473, pp. 99-111.

A. E. Shields, S. Ruiz Hernandez, N. H. de Leeuw, Theoretical analysis of uranium-doped thorium dioxide: Introduction of a thoria force field with explicit polarization. Aip Advances, 2015, 5 (8), pp. 087118-1-087118-18.

A. E. Shields, S. Ruiz Hernandez, N. H. de Leeuw, Configurational analysis of uranium-doped thorium dioxide. Conference Series: Materials Science and Engineering, 2015, 80 (1), pp. 1-4.

 Aziliz Hervault

R. Hachani, M. Lowdell, M. Birchall, A. Hervault, D. Mertz, S. Bégin-Colin and NTK. Thanh, Polyol synthesis, functionalisation and biocompatibility studies of superparamagnetic iron oxide nanoparticles as potential MRI agents, Nanoscale, 2016, 8, 3278-3287

A. Hervault, A.E. Dunn, M. Lim, C. Boyer, D. Mott, S. Maenosono and NTK. Thanh, Doxorubicin loaded dual pH- and thermo-responsive magnetic nanocarrier for combined magnetic hyperthermia and targeted controlled drug delivery applications, Nanoscale, 2016, 8, 12152-12161., Cover page

A. Hervault and NTK. Thanh, Magnetic nanoparticle-based therapeutic agents for thermo-chemotherapy treatment of cancer, Nanoscale, 2014, 6, 11553-11573.

 Ben Blackburn

B.J. Blackburn, J.H. Crane, Jared, C.E. Knapp, M.J. Powell, P. Marchand, D. Pugh, J.C. Bear, I.P. Parkin, C.J. Carmalt, “Reactivity of vanadium oxytrichloride with beta-diketones and diesters as precursors for vanadium nitride and carbide” Materials & Design, 2016, 108, 780.

B.J. Blackburn, J.H. Crane, C.E. Knapp, P. Marchand, D. Pugh, David, I.P. Parkin, C.J. Carmalt, “Synthesis and Characterisation of Various Diester and Triester Adducts of TiCl4”, Eur. J. Inorg. Chem., 2015, 3666.

Carlos Hernandez-Tamargo

C. E. Hernandez-Tamargo, A. Roldan Martinez, N. H. de Leeuw, A density functional theory study of the structure of pure-silica and aluminium-substituted MFI nanosheets. Journal of Solid State Chemistry, 2016, 237, pp. 192-203.

C. E. Hernandez-Tamargo, A. Roldan Martinez, N. H. de Leeuw, DFT modeling of the adsorption of trimethylphosphine oxide at the internal and external surfaces of zeolite MFI. Journal of Physical Chemistry C, 2016, 120 (34), pp. 19097-19106.

 Christopher Lynch

I.Robinson, Y. Yang, F. Zhang, C. Lynch, M. Yusuf & P. Cloetens, Nuclear incorporation of iron during the eukaryotic cell cycle, Journal of Synchrotron Radiation, Volume 23, Issue 6, pages 1490–1497, November (2016). DOI: 10.1107/S1600577516012807.

 Daniel Deacon-Smith

D.E.E. Deacon-Smith, D.O. Scanlon, C.R.A. Catlow, A.A. Sokol, S.M. Woodley, “Interlayer cation exchange stabilizes polar perovskite surfaces” Adv. Mater., 2014, 26 (42), 7252-7256

 David Santos Carballal

D. Santos Carballal, Z. Du, H. E. King, N. H. de Leeuw, A computational study of the interaction of organic surfactants with goethite α-FeO(OH) surfaces. RSC Advances, 2016, 6 (94), pp. 91893-91903.

D. Santos Carballal, A. Roldan, N. H. de Leeuw, Early oxidation processes on the Greigite Fe₃S₄(001) surface by water: A density functional theory study. The Journal of Physical Chemistry C, 2016, 120 (16), pp. 8616-8629.

D. Santos Carballal, A. Roldan, R. Grau-Crespo, N. H. de Leeuw, First-principles study of the inversion thermodynamics and electronic structure of FeM2X4 (thio) spinels (M = Cr, Mn, Co, Ni; X = O, S). Physical Review B, 2015, 91 (19), pp. 195106-1-195106-13.

D. Santos Carballal, A. Roldan, R. Grau-Crespo, N. H. de Leeuw, A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe3O4. Physical Chemistry Chemical Physics, 2014, 16 (39), pp. 21082-21097.

A. Roldan, D. Santos Carballal, N. H. de Leeuw, A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4. Journal of Chemical Physics, 2013, 138 (20), pp. 204712-1-204712-6.

 Davinder Bhachu

D. S. Bhachu, M. R. Waugh, K. Zeissler, W. R. Branford and I. P. Parkin, Textured fluorine doped tin dioxide films formed by chemical vapour deposition, Chemistry-A European Journal, 2011.

Emilia Olsson

E. Olsson, X. Aparicio-Anglès, N. H. de Leeuw, Ab initio study of vacancy formation in cubic LaMnO3 and SmCoO3 as cathode materials in solid oxide fuel cells. The Journal of Chemical Physics, 2016, 145 (1), pp. 014703-1-014703-10

Farzad Foroutan

F. Foroutan, N. H. de Leeuw, Nora, R. A. Martin, G. Palmer, G. J. Owens, H- K. Kim, J. C. Knowles, Novel sol–gel preparation of (P2O5)0.4–(CaO)0.25–(Na2O)X–(TiO2)(0.35−X) bioresorbable glasses (X = 0.05, 0.1, and 0.15). Journal of Sol-Gel Science and Technology, 2015, 73 (2), pp. 434-442.

F. Foroutan, N. J. Walters, G. J. Owens, N. J. Mordan, H-W. Kim, N. H. de Leeuw, J. C. Knowles, Sol-gel synthesis of quaternary (P2O5)(55)-(CaO)(25)-(Na2O)((20-x))-(TiO2)(x) bioresorbable glasses for bone tissue engineering applications (x=0, 5, 10, or 15). Biomedical Materials, 2015, 10 (4), pp. 1-10.

Gillian Walters

G. Walters, I. P. Parkin, The incorporation of noble metal nanoparticles into host matrix thin films: synthesis, characterisation and applications, J. Mater. Chem.2009, 19, 574-590.

G. Walters, I. P. Parkin, Aerosol assisted chemical vapour deposition of ZnO films on glass with noble metal and p-type dopants; use of dopants to influence preferred orientation. App. Surf. Sci.,2009, 255, 6555-6560

 Giulia Mancardi

G. Mancardi, U. Terranova, N. H. de Leeuw, Calcium phosphate prenucleation complexes in water by means of ab initio molecular dynamics simulations. Crystal Growth & Design, 2016, 16 (6), pp. 3353-3358.

 Hadeel Hussain

H. Hussain, X. Torrelles, G. Cabailh, P. Rajput, R. Lindsay, O. Bikondoa, M. Tillotson, R. Grau-Crespo, J. Zegenhagen, G. Thornton, “Quantitative structure of an acetate dye molecule analogue at the TiO2-acetic acid interface”, J. Phys. Chem. C, 2016, 120, 7586

H. Hussain, G. Tocci, T. Woolcot, X. Torrelles, C. L. Pang, D. S. Humphrey, C. M. Yim, D. C. Grinter, G. Cabailh, O. Bikondoa, R. Lindsay, J. Zegenhagen, A. Michaelides, G. Thornton, “Structure of a model TiO2 photocatalytic interface”, Nature Materials, 2016

Ian Johnson

I.D. Johnson, M. Loveridge, R. Bhagat, J.A. Darr, "Mapping Structure-Composition-Property Relationships in V and Fe Doped LiMnPO4 Cathodes for Lithium-Ion Batteries", ACS Comb. Sci. (2016) Accepted. doi:10.1021/acscombsci.6b00035

I.D. Johnson, M. Lübke, O.Y. Wu, N.M. Makwana, G.J. Smales, H.U. Islam, R. Y. Dedigama, R. I. Gruar, C. J. Tighe, D. O. Scanlon, F. Corà, D. J. L. Brett, P. R. Shearing, J. A. Darr, "Pilot-scale continuous synthesis of a vanadium-doped LiFePO4/C nanocomposite high-rate cathodes for lithium-ion batteries", J. Power Sources, 2016, 302, 410–418. doi:10.1016/j.jpowsour.2015.10.068.

 Iman Hassan

I.A. Hassan, Iman, I.P. Parkin, S.P Nair, C.J. Carmalt, “Antimicrobial activity of copper and copper(I) oxide thin films deposited via aerosol-assisted CVD”, J. Mat. Chem. B, 2014, 2, 2855-2860

I.A Hassan, A.Ratnasothy, D.S.Bhachu, S. Sathasivam, C.J Carmalt, “The Effect of Solvent on the Morphology of Indium Oxide Deposited by Aerosol-assisted Chemical Vapour Deposition”. Aus. J. Chem. 2013, 66, 1274.

Issac Sugden

I.J. Sugden, D.F. Plant & R.G. Bell, Impact scenarios in boron carbide: A computational study, J. Theor. Comput. Chem, 2016, 15, 1650055

I.J. Sugden, D.F. Plant & R.G. Bell, Thermal rearrangement mechanisms in icosahedral carboranes and metallocarboranes, Chem. Commun., 2013, 975

Jack Strand

F. Cerbu, O. Madia, D. V. Andreev, S. Fadida, M. Eizenberg, L. Breuil, J. G. Lisoni, J. A. Kittl, J. Strand, A. L. Shluger, V. V. Afanas' ev, M. Houssa, A. Stesmans, “Intrinsic electron traps in atomic-layer deposited HfO2 insulators” Appl. Phys. Lett., 2016, 108, 222901

Joe Manzi 

J.A. Manzi, C.E. Knapp, I.P. Parkin, C.J. Carmalt, “Synthesis of Trimeric Organozinc Compounds and their Subsequent Reaction with Oxygen” ChemistryOpen, 2016, 5, 301-305

J.A. Manzi, C.E. Knapp, I.P. Parkin, C.J. Carmalt, “Aerosol-Assisted Chemical-Vapour Deposition of Zinc Oxide from Single-Source beta-Iminoesterate Precursors”, Eur. J. Inorg. Chem., 2015, 3658.

C.E. Knapp, J.A. Manzi, A. Kafizas, I.P. Parkin, C.J. Carmalt, “Aerosol-Assisted Chemical Vapour Deposition of Transparent Zinc Gallate Films”, CHEMPLUSCHEM, 2014, 79, 1024.8

Jonathon Cottom

J. Cottom, G. Gruber, G. Pobegen, T. Aichinger, A. L Shluger, “Identifying Performance Limiting Defects in Silicon Carbide pn-Junctions: A Theoretical Study” Mater. Sci. Forum, 2016, 858, 257

J. Cottom, G. Gruber, P. Hadley, M. Koch, G. Pobegen, T. Aichinger, A. L. Shluger, “Recombination centers in 4H-SiC investigated by electrically detected magnetic resonance and ab initio modelling” J. Appl. Phys., 2016, 119, 181507

 Julian Gaberle

J. Gaberle, D. Z Gao, M. B. Watkins, A. L Shluger, “Calculating the entropy loss on adsorption of organic molecules at insulating surfaces” J. Phys. Chem. C, 2016, 120, 3913

Kay Rigby

N. K. Das, K., Rigby, N. H. de Leeuw, The effect of helium nano-bubbles on the structures stability and electronic properties of palladium tritides: A density functional theory study. Proceedings of the Royal Society A, 2014, 470 (2171), pp. 20140357-20140357.

Luca Luzzolino

L. Iuzzolino etc Report on the sixth blind test of organic crystal structure prediction methods. Acta Crystallographica Section B 2016, 72, 439-459.

Manveer Singh Munde

A. Mehonic, M. Buckwell, L. Montesi, M. Singh Munde, D. Gao, S. Hudziak, R. J. Chater, S. Fearn, D. McPhail, M. Bosman, A. L. Shluger, A. J. Kenyon, “Nanoscale Transformations in Metastable, Amorphous, Silicon‐Rich Silica” Advanced Materials, 2016, 28, 7486

Marianne Monteforte

M. Monteforte, S. Kobayashi, L. D. Tung, K. Higashimine, D. Mott, S. Maenosono, N. T. K. Thanh and I. K. Robinson, Quantitative Two Dimensional Strain Mapping of Small Core-Shell FePt@Fe3O4 Nanoparticles, New Journal of Physics, 2016, 18 033016

M. Monteforte, A. K. Estandarte, B. Chen, R. Harder, M. H. Huang and I. K. Robinson, Novel Silica Stabilisation Method for the Analysis of Fine Nanocrystals using Coherent X-ray Diffraction Imaging, Journal of Synchrotron Radiation, 2016, 23 953-8.

 Matthew Waugh

M. R Waugh, I. P. Parkin, Enhanced solubility & covelent functionaisation of single walled carbon nanotubes via atmospheric pressure microwave reflux and the subsequent spray coating of transparent conducting thin films. Current Nanoscience 6, 232-242 (2010).

M, R. Waugh, Looking Through the Snow, Chemistry World, RSC Publishing, Dec 2009.

M. R Waugh, G. Hyett, I. P. Parkin, Aerosol assisted chemical vapor deposition of zinc oxide thin films, Chemical Vapor Deposition, 2008, 14,366-372

Matthew Halliday

M. T. E. Halliday, W. P. Hess and A. L. Shluger, A mechanism of Cu work function reduction in CsBr/Cu photocathodes, Phys.Chem.Chem.Phys., 2016, 18, 7427

M. T. E. Halliday, A. G. Joly, W. P. Hess, A. L. Shluger, “Photoinduced Br Desorption from CsBr Thin Films Grown on Cu (100)” J. Phys. Chem. C, 2015, 119, 24046

M. T. E. Halliday, W. P. Hess, A. L. Shluger, “Structure and properties of electronic and hole centers in CsBr from theoretical calculations” J. Phys.: Condens. Matter, 2015, 27, 245501

M. T. E. Halliday, A. G. Joly, W. P. Hess, and A. L. Shluger, Photoinduced Br Desorption from CsBr Thin Films Grown on Cu(100), J. Phys. Chem. C 2015, 119, 24036−24045

M. T. E. Halliday, A. G. Joly, W. P Hess, P. V. Sushko, A. L. Shluger, “Mechanisms of Photodesorption of Br Atoms from CsBr Surfaces” J. Phys. Chem. C, 2013, 117, 13502

Matthew Wolf

M. J. Wolf and A. L. Shluger, “The Structure and Properties of Clean Steps at Oxide Surfaces”, In: Defects at Oxide Surfaces, ed. by J.Jupille and G. Thornton (Springer 2015), 191

M. J. Wolf, K. P. McKenna, A. L Shluger, “Hole trapping at surfaces of m-ZrO2 and m-HfO2 nanocrystals” J. Phys. Chem. C, 2012, 116, 25888

K. P. McKenna, M. J. Wolf, A. L. Shluger, S. Lany, A. Zunger, “Two-Dimensional Polaronic Behavior in the Binary Oxides m− HfO2 and m− ZrO2” Phys. Rev. Lett. 2012, 108, 116403

Mechthild Lübke

M. Lübke, N. Ding, M.J. Powell, D.J. Brett, P.R. Shearing, Z. Liu, J.A. Darr, “VO2 nano-sheet negative electrodes for lithium-ion batteries”, Electrochemistry Communications, 64, (2016) 56-60.

M. Lübke, A. Sumboja, I.D. Johnson, D.J. Brett, P.R. Shearing, Z. Liu, J.A. Darr, “High power nano-Nb2O5 negative electrodes for lithium-ion batteries”, Electrochimica Acta, 192, (2016) 363-369.

M. Lübke, P. Marchand, D.J. Brett, P. Shearing, R. Gruar, Z. Liu, J.A. Darr, “High power layered titanate nano-sheets as pseudocapacitive lithium-ion battery anodes”, Journal of Power Sources, 305 (2016) 115-121.

M. Lübke, A. Sumboja, I.D. Johnson, D.J.L. Brett, P.R. Shearing, Z. Liu, J.A. Darr, "High power nano-Nb2O5 negative electrodes for lithium-ion batteries", Electrochim. Acta. 2016, 192, 363–369. doi:10.1016/j.electacta.2016.01.226

M. Lübke, J. Shin, P. Marchand, D. Brett, P. Shearing, Z. Liu, J.A. Darr, “Highly pseudocapacitive Nb-doped TiO2 high power anodes for lithium-ion batteries”, Journal of Materials Chemistry A, 3 (2015) 22908-22914

M. Lübke, I. Johnson, N.M. Makwana, D. Brett, P. Shearing, Z. Liu, J.A. Darr, “High Power TiO2 and High Capacity Sn-doped TiO2 Nanomaterial Anodes for Lithium-ion Batteries”, Journal of Power Sources, 294 (2015) 94-102.

M. Lübke, N.M. Makwana, R. Gruar, C. Tighe, D. Brett, P. Shearing, Z. Liu, J.A. Darr, “High capacity nanocomposite Fe3O4/Fe anodes for Li-ion batteries”, Journal of Power Sources, 291 (2015) 102-107.

 

 Nelson Dzade

N. Y. Dzade, A. Roldan Martinez, N. H. Leeuw, A density functional theory study of the adsorption of benzene on hematite (α-Fe2O3) surfaces. Minerals, 2014, 4 (1), pp. 89-115

N. Y. Dzade, A. Roldan Martinez, N. H. Leeuw, DFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS). Journal of Chemical Physics, 2016, 144 (17), pp. 174704-1-174704-7

N. Y. Dzade, A. Roldan Martinez, N. H. Leeuw, DFT-D2 Study of the Adsorption and Dissociation of Water on Clean and Oxygen-Covered {001} and {011} Surfaces of Mackinawite (FeS). Journal of Physical Chemistry C, 2016, 120 (38), pp. 21441-21450

N. Y. Dzade, A. Roldan, N. H. Leeuw, Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): a dispersion-corrected DFT study. Journal of Chemical Physics, 2015, 143 (9), pp. 094703-1-094703-8.

N. Y. Dzade, A. Roldan Martinez, N. H. Leeuw, The surface chemistry of NOx on mackinawite (FeS) surfaces: A DFT-D2 study. Physical Chemistry Chemical Physics, 2014, 16 (29), pp. 15444-15456.

Noor Nuruzzaman 

N. Noor, C.K.T. Chew, D. Bhachu, M.R. Waugh, C.J. Carmalt, I.P. Parkin, “Influencing FTO thin film growth with thin seeding layers: a route to microstructural modification”, J. Mater. Chem. C, 2015, 3, 9359.

A. Kafizas, N. Nuruzzaman, C.J. Carmalt, I.P. Parkin. “TiO2-based transparent conducting oxides; the search for optimum electrical conductivity using a combinatorial approach”, J. Mater. Chem. C, 2013, 1, 6335.

Ogaga Uzoh

Uzoh, O. G.; Galek, P. T. A.; Price, S. L. Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals. Physical Chemistry Chemical Physics 2015, 17, 7936-7948.

Uzoh, O. G.; Cruz-Cabeza, A. J.; Price, S. L. Is the Fenamate Group a Polymorphophore? Contrasting the Crystal Energy Landscapes of Fenamic and Tolfenamic Acids. Crystal Growth & Design 2012, 12, 4230-4239

Spencer, J.; Patel, H.; Deadman, J. J.; Palmer, R. A.; Male, L.; Coles, S. J.; Uzoh, O. G.; Price, S. L. The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole. Crystengcomm 2012, 14, 6441-6446.

Ralph Leech 

Prokopovich, P., Leech, R., Carmalt, C.J., Parkin, I.P., Perni, S. (2013). “A Novel Bone Cement Impregnated with Silver-Tiopronin Nanoparticles: its Antimicrobial, Cytotoxic, and Mechanical Properties”, Int. J. Nanomedicine, 8, 2227.

Shiers, M. J., Leech, R., Carmalt, C.J., Parkin, I.P., Kenyon, A.J. (2012). Self-Assembled Ultra-High Aspect Ratio Silver Nanoparticle Chains. Adv. Mater., 24, 5227.

Richard Ainsworth

J. K. Christie, R. I. Ainsworth, N. H. de Leeuw, Investigating structural features which control the dissolution of bioactive phosphate glasses: Beyond the network connectivity. Journal of Non-Crystalline Solids, 2016, 432 (Part A), pp. 31-34.

R. I. Ainsworth, J. K. Christie, N. H. de Leeuw, On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations. Physical Chemistry Chemical Physics, 2014, 16 (39), pp. 21135-21143.

J. K. Christie, R. I. Ainsworth, N. H. de Leeuw, Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses. Biomaterials, 2014, 35 (24), pp. 6164-6171.

Roger Pallares

R. M. Pallares, M. Bosman, N. T. K. Thanh and X. Su. “Plasmonic multi-logic gate platform based on sequence-specific binding of estrogen receptors and gold nanorods” Nanoscale, DOI: 10.1039/C6NR07569J. (2016). [Front Cover]

R. M. Pallares, S. H. Lim, N. T. K. Thanh and X. Su. “Growth of anisotropic gold nanoparticles in photoresponsive fluid for UV sensing and erythema prediction” Nanomedicine, 11, 21, 2845. (2016).

R. M. Pallares, X. Su, S. H. Lim and N. T. K. Thanh. “Fine-tuning of gold nanorod dimensions and plasmonic properties using the Hofmeister effects.” Journal of Materials Chemistry C, 4, 1, 53. (2016). [Front Cover]

R. M. Pallares, S. L. Kong, T. H. Ru, N. T. K. Thanh, Y. Lu and X. Su. “A plasmonic nanosensor with inverse sensitivity for circulating cell-free DNA quantification.” Chemical Communications, 51, 77, 14524. (2015).

Rosemary Paxman

R. R. Grüter, Z. Khan, R. Paxman, J. W. Ndieyira, B. Dueck, B. A. Bircher, J. L. Yang, U. Drechsler, M. Despont, R. A. McKendry, and B. W. Hoogenboom, Disentangling mechanical and mass effects on nanomechanical resonators, Applied Phys. Lett., 96, 023113 (2010).

Rossella Promontorio

R. Promontorio, J.A. Richard, C. M. Marson, “Domino Michael-Aldol Annulation for the Stereocontrolled Synthesis of Bicyclo[3.3.1]nonane and [3.2.1]octane Derivatives”, RSC Advance, accepted (2016)

Samuel Bradley

S. R. Bradley, G. Bersuker, A. L. Shluger, “Modelling of oxygen vacancy aggregates in monoclinic HfO2: can they contribute to conductive filament formation?” J. Phys.: Condens. Matter, 2015, 27, 415401

S. R. Bradley, G. Bersuker, A. L. Shluger, “Photoinduced Br Desorption from CsBr Thin Films Grown on Cu ( vacancy aggregates in monoclinic HfO2: can they contribute to conductive filament formation?” J. Phys. Condens. Matter, 2015, 27, 415401

S. R. Bradley, A. L. Shluger, G. Bersuker, “Electron-Injection-Assisted Generation of Oxygen Vacancies in Monoclinic HfO2” Phys. Rev. Appl. 2015, 4, 064008

S. R. Bradley, K. P McKenna, A. L Shluger, “The behaviour of oxygen at metal electrodes in HfO2 based resistive switching devices” Microel. Eng., 2013, 109, 346

Sebastian Dixon

S. C. Dixon, D. O. Scanlon, C. J. Carmalt and I. P. Parkin, “n-Type doped transparent conducting binary oxides: an overview" J. Mater. Chem. C, 2016, 419, 462–465.

S. C. Dixon, W. J. Peveler, N. Noor, J. C. Bear and I. P. Parkin, “Superhydrophobic Au/polymer nanocomposite films via AACVD/swell encapsulation tandem synthesis procedure" RSC Adv., 2016, 6, 31146–31152.

S. Dixon, N. Noor, S. Sathasivam, Y. Lu and I. Parkin, "Synthesis of superhydrophobic polymer/tungsten (VI) oxide nanocomposite thin films" Eur. J. Chem., 2016, 7, 139–145

Sergio Ruiz-Hernandez

S. Ruiz Hernandez, R. I. Ainsworth, N. H. de Leeuw, Molecular dynamics simulations of bio-active phosphate-based glass surfaces. Journal of Non-Crystalline Solids, 2016, 451, pp. 131-137

S. Ruiz Hernandez, I. Streeter, N. H. de Leeuw, The effect of water on the binding of glycosaminoglycan saccharides to hydroxyapatite surfaces: A molecular dynamics study. Physical Chemistry Chemical Physics, 2015, 17 (34), pp. 22377-22388.

S. Ruiz Hernandez, N. H. de Leeuw, Effect of chondroitin 4-sulfate on the growth and morphology of calcium oxalate monohydrate: A molecular dynamics study. Crystal Growth and Design, 2015, 15 (9), pp. 4438-4447.

S. Ruiz Hernandez, R. Grau-Crespo, N. Almora-Barrios, M. Wolthers, A. R. Ruiz-Salvador, N. Fernandez, N. H. de Leeuw, Mg/Ca partitioning between aqueous solution and aragonite mineral: a molecular dynamics study. Chemistry - a European Journal, 2012, 18 (32), pp. 9828-9833.

S. Ruiz Hernandez, R. Grau-Crespo, A. R. Ruiz-Salvador, N. H. de Leeuw, Nora, Thermochemistry of strontium incorporation in aragonite from atomistic simulations. Geochimica et Cosmochimica Acta, 2010, 74 (4), pp. 1320-1328.

Sreelekha Benny

S. Benny, R. Grau Crespo, N.H. de Leeuw, Phys. Chem. Chem. Phys. 2009, 11, 808-815.

Szymon Daraszweicz

S.L. Daraszewicz and D.M. Duffy, Extending the inelastic thermal spike model for semiconductors and insulators, Nucl. Instr. Meth. Phys. Res .B ,2011.

Thomas Collier

T. Collier, A. Nash, H. L. Birch, N. H. de Leeuw, Intra-molecular lysine-arginine derived advanced glycation end-product cross-linking in Type I collagen: A molecular dynamics simulation study. Biophysical Chemistry, 2016, 218, pp. 42-46.

T. Collier, A. Nash, A. F. Lopez-Clavijo, L. Bozec, H. L. Birch, N. H. de Leeuw, The thermodynamic identification of glucosepane cross-linking in type I collagen - an all atom molecular dynamics study. International Journal of Experimental Pathology, 2015, 96 (2), pp. A11-A12.

T. Collier, A. Nash, H. L. Birch, N. H. de Leeuw, Preferential sites for intramolecular glucosepane cross-link formation in type I collagen: A thermodynamic study. Matrix Biology, 2015, 48, pp. 78-88.

Toby Gill

A. Fleurence, T. G. Gill, R. Friedlein, J. T. Sadowski, K. Aoyagi, M. Copel, R. M. Tromp, C. F. Hirjibehedin, and Y. Yamada-Takamura, Single-domain epitaxial silicene on diboride thin films, Applied Physics Letters 108, 151902 (2016)

Vladimir Martis

V. Martis, S. Nikitenko, S. Sen, G. Sankar, W. van Beek, Y. Filinchuk, I. Snigireva, W. Bras, Effects of X-rays on crystal nucleation in Lithium disilicate, Cryst. Growth Des. (2011) DOI: cg-2011-00004y.

C. Kongmark, V. Martis, , C. Pirovano, A. Lofberg, W. Van Beek,G. Sankar, A. Rubbens, R. N. Vannier, S. Cristol, E. Bordes-Richard, Synthesis of γ-Bi2MoO6 catalyst studied by combined high-resolution powder diffraction, XANES and Raman spectroscopy, Catalysis Today, 157, 257-262 (2010)

C. Kongmark, V. Martis, A. Rubbens, C. Pirovano, A. Lofberg, G. Sankar, E. Bordes-Richard, R. N. Vannier, W. Van Beek, Elucidating the genesis of Bi2MoO6 catalyst by combination of synchrotron radiation experiments and Raman scattering, Chem. Commun., 2009, 4850-4852.

Yao Lu

Y. Lu, G. He, C. J. Carmalt, I. P. Parkin, Synthesis and characterization of omniphobic surfaces with thermal, mechanical and chemical stability, RSC Adv. 2016, 6, 106491-106499.

N. Wang, Y. Lu, D. Xiong, C. J. Carmalt, I. P. Parkin, Designing durable and flexible superhydrophobic coatings and its application in oil purification, J. Mater. Chem. A 2016, 4, 4107–4116.

S. Huang, J. Song, Y. Lu, F. Chen, H. Zheng, X. Yang, X. Liu, J. Sun, C. J. Carmalt, I. P. Parkin, W. Xu, Underwater spontaneous pumpless transportation of nonpolar organic liquids on extreme wettability patterns, ACS Appl. Mater. Interfaces 2016, 8, 2942–2949.

S. Huang, J. Song, Y. Lu, C. Lv, H. Zheng, X. Liu, Z. Jin, D. Zhao, C. J. Carmalt, I. P. Parkin, Power-free water pump based on a superhydrophobic surface: generation of a mushroom-like jet and anti-gravity long-distance transport, J. Mater. Chem. A 2016, 4, 13771-13777.

J. Song, L. Huang, Y. Lu, X. Liu, X. Deng, X. Yang, S. Huang, J. Sun, Z. Jin, I. P. Parkin, Fabrication of long-term underwater superoleophobic Al surfaces and application on underwater lossless manipulation of non-polar organic liquids, Sci. Rep. 2016, 6, Article number: 31818.

X. Yang, X. Liu, Y. Lu, S. Zhou, M. Gao, J. Song, W. Xu, Controlling the adhesion of superhydrophobic surfaces using electrolyte jet machining techniques, Sci. Rep. 2016, 6, Article number: 23985.

X. Yang, X. Liu, Y. Lu, J. Song, S. Huang, S. Zhou, Z. Jin, W. Xu, Controllable water adhesion and anisotropic sliding on patterned superhydrophobic surface for droplet manipulation, J. Phys. Chem. C 2016, 120, 7233–7240.

N. Wang, D. Xiong, Y. Lu, S. Pan, K. Wang, Y. Deng, Y. Shi, Design and fabrication of the lyophobic slippery surface and its application in anti-icing, J. Phys. Chem. C 2016, 120, 11054–11059.

L. Huang, J. Song, Y. Lu, F. Chen, X. Liu, Z. Jin, D. Zhao, C. J. Carmalt, I. P. Parkin, Superoleophobic surfaces on stainless steel substrates obtained by chemical bath deposition, Micro Nano Lett. 2016.

S. Sathasivam, R. R. Arnepalli, D. S. Bhachu, Y. Lu, J. Buckeridge, D. O. Scanlon, B. Kumar, K. K. Singh, R. J. Visser, C. S. Blackman, C. J. Carmalt, Single step solution processed GaAs thin films from GaMe3 and tBuAsH2 under ambient pressure, J. Phys. Chem. C 2016, 120, 7013–7019.

S. Dixon, N. Noor, S. Sathasivam, Y. Lu, I. P. Parkin, Synthesis of superhydrophobic polymer/tungsten (VI) oxide nanocomposite thin films, Eur. J. Chem. 2016, 7, 139–145.

G. He, M. Qiao, W. Li, Y. Lu, T. Zhao, R. Zou, B. Li, J. A. Darr, J. Hu, M. M. Titirici, I. P. Parkin, S, N-co-doped graphene-nickel cobalt sulfide aerogel: improved energy storage and electrocatalytic performance, Adv. Sci. 2016, 1600214.

G. He, X. Han, R. Zou, T. Zhao, Z. Weng, S. Ho-Kimura, Y. Lu, H. Wang, Z. Guo, I. P. Parkin, A targeted functional design for highly efficient and stable cathodes for rechargeable Li-ion batteries, Adv. Funct. Mater. 2016.

Y. Lu, S. Sathasivam, J. Song, C. R. Crick, C. J. Carmalt, I. P. Parkin, Robust self-cleaning surfaces that function when exposed to either air or oil, Science 2015, 347, 1132–1135.

J. Song, Y. Lu, J. Luo, S. Huang, L. Wang, W. Xu, I. P. Parkin, Barrel-shaped oil-skimmer designed for collection of oil from spills, Adv. Mater. Interfaces 2015, 2, 1500350 (Featured on issue back cover).

J. Song, Y. Lu, S. Huang, X. Liu, W. Xu, Progress on research and application of extreme wettability surfaces, Science＆Technology Review 2015, 33, 92–100.

F. Chen, J. Song, Y. Lu, S. Huang, X. Liu, J. Sun, C. J. Carmalt, I. P. Parkin, W. Xu, Creating robust superamphiphobic coatings for both hard and soft materials, J. Mater. Chem. A 2015, 3, 20999–21008.

S. Sathasivam, D. S. Bhachu, Y. Lu, N. Chadwick, S. A. Althabaiti, A. O. Alyoubi, S. N. Basahel, C. J. Carmalt, I. P. Parkin, Tungsten doped TiO2 with enhanced photocatalytic and optoelectrical properties via aerosol assisted chemical vapor deposition, Sci. Rep. 2015, 5, Article number: 10952.

F. Chen, W. Xu, Y. Lu, J. Song, S. Huang, L. Wang, I. P. Parkin, X. Liu, Hydrophilic patterning of superhydrophobic surfaces by atmospheric pressure plasma jet, Micro Nano Lett. 2015, 10, 105–108. (Win the IET Premium Awards 2016).

S. Sathasivam, D. S. Bhachu, Y. Lu, S. M. Bawaked, A. Y. Obaid, S. Al-Thabaiti, S. N. Basahel, C. J. Carmalt, I. P. Parkin, Highly photocatalytically active iron(III) titanium oxide thin films via aerosol-assisted CVD, Chem. Vap. Deposition 2015, 21, 21–25 (Featured on issue cove).

X. Liu, F. Chen, S. Huang, X. Yang, Y. Lu, W. Zhou, W. Xu, Characteristic and application study of cold atmospheric-pressure nitrogen plasma Jet, IEEE Trans. Plasma Sci. 2015, 43, 1959–1968.

Y. Lu, S. Sathasivam, J. Song, W. Xu, C. J. Carmalt, I. P. Parkin, Water droplets bouncing on superhydrophobic soft porous materials, J. Mater. Chem. A 2014, 2, 12177–12184 (Featured on issue back insert cover)

Y. Lu, S. Sathasivam, J. Song, F. Chen, W. Xu, C. J. Carmalt, I. P. Parkin, Creating superhydrophobic mild steel surfaces for water proofing and oil-water separation, J. Mater. Chem. A 2014, 2, 11628–11634.

J. Song, S. Huang, Y. Lu, X. Bu, J. E. Mates, A. Ghosh, R. Ganguly, C. J. Carmalt, I. P. Parkin, W. Xu, C. M. Megaridis, Self-driven one-step oil removal from oil spill on water via selective-wettability steel mesh, ACS Appl. Mater. Interfaces 2014, 6, 19858–19865.

S. Noimark, K. Page, J. C. Bear, C. Sotelo-Vazquez, R. Quesada-Cabrera, Y. Lu, E. Allan, J. A. Darr, I. P. Parkin, FD175: Functionalised gold and titania nanoparticles and surfaces for use as antimicrobial coatings, Faraday Discuss. 2014, 175, 273–287.

J. Sun, F. Zhang, J. Song, L. Wang, Q. Qu, Y. Lu, I. P. Parkin, Electrochemical fabrication of superhydrophobic Zn surfaces, Appl. Surf. Sci. 2014, 315, 346–352.

 

Yasmine Al-Hamdani

Y. S. Al-Hamdani, M. Ma, D. Alfè, O. A. von Lilienfeld, and A. Michaelides, “Communication: Water on hexagonal boron nitride from diffusion Monte Carlo”, J. Chem. Phys. 2015,  142, 181101.

Y. S. Al-Hamdani, D. Alfè, O. A. von Lilienfeld, and A. Michaelides, “Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding”,J. Chem. Phys., 2014, 141, 18C530.

Y. S. Al-Hamdani, D. Alfè, O. A. von Lilienfeld, and A. Michaelides, "Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: water and other small molecules", J. Chem. Phys. 2016, 144, 154706.

Y. S. Al-Hamdani, M. Ma, D. Alfè, O. A. von Lilienfeld, and A. Michaelides, “Water on hexagonal boron nitride from diffusion Monte Carlo” J. Chem. Phys., 2015, 142, 181101.

Y. S. Al-Hamdani, D. Alfè, O. A. von Lilienfeld, and A. Michaelides, “Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding” J. Chem. Phys., 2014, 141, 18C530 .

Yee Tieh Chow

M.R. Farrow, Y. Chow, S.M. Woodley, ”Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy Landscape?” Phys. Chem. Chem. Phys., 2014, 16 (39), 21119-21134

Zeynep Kurban

Z. Kurban, A. Lovell, D.Jenkins, S. Bennington, I. Loader, A. Schober, N.T. Skipper, Turbostratic graphite nanofibres from electrospun solutions of PAN in dimethylsulphoxide. European Polymer Journal , 2010, 46, 1194-1202.

Z Kurban, A. Lovell, S.M. Bennington, D.W.K. Jenkins, K.R. Ryan, M.O. Jones, N.T. Skipper, W.I.F. David. A Solution Selection Model for Coaxial Electrospinning and its Application to Nanostructured Hydrogen Storage Materials. J. Phys. Chem. C 114, 21201-21213 (2010)

G. Srinivas, A. Lovell, N.T. Skipper, S.M. Bennington, Z. Kurban, R.I. Smith. Ammonia absorption in calcium graphite intercalation compound: in situ neutron diffraction, Raman spectroscopy and magnetization. Phys. Chem. Chem. Phys. 12, 6253-6259 (2010).