香港六合彩中特网

Abdelaziz Cadi Essadek

听

A. Cadi-Essadek, R. Roldan Martinez, N. H. de Leeuw,deposition on yttria-stabilized ZrO2(111) surfaces: A density functional theory study.听Journal of Physical Chemistry听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.听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)听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.听J. Phys. Chem. C, 2015, 119 (12), pp 6581鈥�6591

听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听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,听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,听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,听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,鈥淒efect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs2SnI6 and Cs2TeI6鈥�,听J. Am. Chem. Soc., 2016, 138 (27), pp 8453鈥�8464

N. F. Quackenbush, H. Paik, M. J. Wahila, S. Sallis, M. E. Holtz, X. Huang, A. M. Ganose, B. J.听 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",听Phys. Rev. B, 2016, 94, 085105听

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",听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",听J. Mater. Chem.听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",听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?",听J. Phys. Chem. Lett., 2015, 6, 4594

听Alex O'Malley

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

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

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

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

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

A. J. O鈥橫alley, C.R.A. Catlow, M. Monkenbusch, and H. Jobic 鈥淒iffusion of Isobutane in Silicalite: A Neutron Spin鈥揈cho and Molecular Dynamics Simulation Study鈥�,听J. Phys. Chem. C, 2015, 119 (48), pp 26999鈥�27006

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

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

听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,听Chem. Commun., 2011.

听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,听Chromosome Science听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,听Biophysical Journal,听2015, 108 706鈥�713

L. A. Shemilt, A. K. C. Estandarte, M. Yusuf and I. K. Robinson, Scanning Electron Microscope studies of human metaphase chromosomes,听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,听Biotechniques听, 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,听BioTechniques, 2014, 57 137-141

Andrew Breeson听

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

听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,听J Cell Sci, 123, 171-80 (2010).

听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.听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鈥揂g Bimetallic Nanoclusters.听The Journal of Physical Chemistry听C,听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.听The Journal of Physical Chemistry听C,听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.听ACS Catalysis,听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.听Physical Chemistry Chemical Physics,听2014,16(39), 21049-21061,

听Anna Ploszajski

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

听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.听Journal of Nuclear Materials听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.听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.听Conference Series: Materials Science and Engineering, 2015, 80 (1), pp. 1-4.

听Aziliz Hervault

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

A. Hervault, A.E. Dunn, M. Lim,听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,听Nanoscale, 2016, 8, 12152-12161., Cover page

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

听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, 鈥淩eactivity of vanadium oxytrichloride with beta-diketones and diesters as precursors for vanadium nitride and carbide鈥澨�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, 鈥淪ynthesis and Characterisation of Various Diester and Triester Adducts of TiCl4鈥�,听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.听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.听Journal of Physical Chemistry听C, 2016, 120 (34), pp. 19097-19106.

听Christopher Lynch

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

听Daniel Deacon-Smith

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

听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 伪-FeO(OH) surfaces.听RSC Advances, 2016, 6 (94), pp. 91893-91903.

D. Santos Carballal, A. Roldan, N. H. de Leeuw, Early oxidation processes on the Greigite Fe鈧僑鈧�(001) surface by water: A density functional theory study.听The Journal of Physical Chemistry听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).听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.听Journal of Chemical Physics, 2013, 138 (20), pp. 204712-1-204712-6.

听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,听Chemistry-A European Journal, 2011.

Emilia Olsson

E. Olsson, X. Aparicio-Angl猫s, N. H. de Leeuw, Ab initio study of vacancy formation in cubic LaMnO3 and SmCoO3 as cathode materials in solid oxide fuel cells.听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鈥揼el preparation of (P2O5)0.4鈥�(CaO)0.25鈥�(Na2O)X鈥�(TiO2)(0.35鈭扻) bioresorbable glasses (X听=听0.05, 0.1, and 0.15).听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).听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,听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.听App. Surf. Sci.,2009, 255, 6555-6560

听Giulia Mancardi

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

听Hadeel Hussain

H. Hussain, X. Torrelles, G. Cabailh, P. Rajput, R. Lindsay, O. Bikondoa, M. Tillotson, R. Grau-Crespo, J. Zegenhagen, G. Thornton, 鈥淨uantitative structure of an acetate dye molecule analogue at the TiO2-acetic acid interface鈥�,听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, 鈥淪tructure of a model TiO2 photocatalytic interface鈥�,听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",听ACS Comb. Sci. (2016) Accepted. doi:10.1021/acscombsci.6b00035

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

听Iman Hassan

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

I.A Hassan, A.Ratnasothy, D.S.Bhachu, S. Sathasivam, C.J Carmalt, 鈥淭he Effect of Solvent on the Morphology of Indium Oxide Deposited by Aerosol-assisted Chemical Vapour Deposition鈥�.听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,听J. Theor. Comput. Chem, 2016, 15, 1650055

I.J. Sugden, D.F. Plant & R.G. Bell, Thermal rearrangement mechanisms in icosahedral carboranes and metallocarboranes,听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, 鈥淚ntrinsic electron traps in atomic-layer deposited HfO2 insulators鈥澨�Appl. Phys. Lett., 2016, 108, 222901

Joe Manzi听

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

J.A. Manzi, C.E. Knapp, I.P. Parkin, C.J. Carmalt, 鈥淎erosol-Assisted Chemical-Vapour Deposition of Zinc Oxide from Single-Source beta-Iminoesterate Precursors鈥�,听Eur. J. Inorg. Chem., 2015, 3658.

C.E. Knapp, J.A. Manzi, A. Kafizas, I.P. Parkin, C.J. Carmalt, 鈥淎erosol-Assisted Chemical Vapour Deposition of Transparent Zinc Gallate Films鈥�, CHEMPLUSCHEM, 2014, 79, 1024.8

Jonathon Cottom

J. Cottom, G. Gruber, G. Pobegen, T. Aichinger, A. L Shluger, 鈥淚dentifying Performance Limiting Defects in Silicon Carbide pn-Junctions: A Theoretical Study鈥澨�Mater. Sci. Forum,听2016, 858, 257

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

听Julian Gaberle

J. Gaberle, D. Z Gao, M. B. Watkins, A. L Shluger, 鈥淐alculating the entropy loss on adsorption of organic molecules at insulating surfaces鈥澨�J. Phys. Chem. C,听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.听Proceedings of the Royal Society听A, 2014, 470 (2171), pp. 20140357-20140357.

Luca Luzzolino

L. Iuzzolino etc Report on the sixth blind test of organic crystal structure prediction methods.听Acta Crystallographica Section B听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, 鈥淣anoscale Transformations in Metastable, Amorphous, Silicon鈥怰ich Silica鈥澨�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.

听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.听Current Nanoscience听6, 232-242 (2010).

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

M. R Waugh, G. Hyett, I. P. Parkin, Aerosol assisted chemical vapor deposition of zinc oxide thin films,听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,听Phys.Chem.Chem.Phys., 2016, 18, 7427

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

M. T. E. Halliday, W. P. Hess, A. L. Shluger, 鈥淪tructure and properties of electronic and hole centers in CsBr from theoretical calculations鈥澨�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),听J. Phys. Chem. C听2015, 119, 24036鈭�24045

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

Matthew Wolf

M. J. Wolf and A. L. Shluger, 鈥淭he Structure and Properties of Clean Steps at Oxide Surfaces鈥�, In:听Defects at Oxide Surfaces, ed. by J.Jupille and G. Thornton (Springer 2015), 191

M. J. Wolf, K. P. McKenna, A. L Shluger, 鈥淗ole trapping at surfaces of m-ZrO2 and m-HfO2 nanocrystals鈥�听J. Phys. Chem. C,听2012, 116, 25888

K. P. McKenna, M. J. Wolf, A. L. Shluger, S. Lany, A. Zunger, 鈥淭wo-Dimensional Polaronic Behavior in the Binary Oxides m鈭� HfO2 and m鈭� ZrO2鈥澨�Phys. Rev. Lett. 2012, 108, 116403

Mechthild L眉bke

M. L眉bke, N. Ding, M.J. Powell, D.J. Brett, P.R. Shearing, Z. Liu, J.A. Darr, 鈥淰O2 nano-sheet negative electrodes for lithium-ion batteries鈥�,听Electrochemistry Communications, 64, (2016) 56-60.

M. L眉bke, A. Sumboja, I.D. Johnson, D.J. Brett, P.R. Shearing, Z. Liu, J.A. Darr, 鈥淗igh power nano-Nb2O5 negative electrodes for lithium-ion batteries鈥�,听Electrochimica Acta, 192, (2016) 363-369.

M. L眉bke, P. Marchand, D.J. Brett, P. Shearing, R. Gruar, Z. Liu, J.A. Darr, 鈥淗igh power layered titanate nano-sheets as pseudocapacitive lithium-ion battery anodes鈥�,听Journal of Power Sources, 305 (2016) 115-121.

M. L眉bke, 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",听Electrochim. Acta.听2016, 192, 363鈥�369. doi:10.1016/j.electacta.2016.01.226

M. L眉bke, J. Shin, P. Marchand, D. Brett, P. Shearing, Z. Liu, J.A. Darr, 鈥淗ighly pseudocapacitive Nb-doped TiO2 high power anodes for lithium-ion batteries鈥�,听Journal of Materials Chemistry A, 3 (2015) 22908-22914

M. L眉bke, I. Johnson, N.M. Makwana, D. Brett, P. Shearing, Z. Liu, J.A. Darr, 鈥淗igh Power TiO2 and High Capacity Sn-doped TiO2 Nanomaterial Anodes for Lithium-ion Batteries鈥�,听Journal of Power Sources, 294 (2015) 94-102.

M. L眉bke, N.M. Makwana, R. Gruar, C. Tighe, D. Brett, P. Shearing, Z. Liu, J.A. Darr, 鈥淗igh capacity nanocomposite Fe3O4/Fe anodes for Li-ion batteries鈥�,听Journal of Power Sources, 291 (2015) 102-107.

听

听Nelson Dzade

N. Y. Dzade, A. Roldan Martinez, N. H. Leeuw, A density functional theory study of the adsorption of benzene on hematite (伪-Fe2O3) surfaces.听Minerals,听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).听Journal of Chemical Physics,听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).听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.听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.听Physical Chemistry Chemical Physics, 2014, 16 (29), pp. 15444-15456.

Noor Nuruzzaman听

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

A. Kafizas, N. Nuruzzaman, C.J. Carmalt, I.P. Parkin. 鈥淭iO2-based transparent conducting oxides; the search for optimum electrical conductivity using a combinatorial approach鈥�,听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.听Physical Chemistry Chemical Physics听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.听Crystal Growth & Design听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.听Crystengcomm听2012, 14, 6441-6446.

Ralph Leech听

Prokopovich, P., Leech, R., Carmalt, C.J., Parkin, I.P., Perni, S. (2013). 鈥淎 Novel Bone Cement Impregnated with Silver-Tiopronin Nanoparticles: its Antimicrobial, Cytotoxic, and Mechanical Properties鈥�,听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.听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.听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.听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.听Biomaterials, 2014, 35 (24), pp. 6164-6171.

Roger Pallares

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

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

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

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

Rosemary Paxman

R. R. Gr眉ter, 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,听Applied Phys. Lett., 96, 023113 (2010).

Rossella Promontorio

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

Samuel Bradley

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

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

S. R. Bradley, A. L. Shluger, G. Bersuker, 鈥淓lectron-Injection-Assisted Generation of Oxygen Vacancies in Monoclinic HfO2鈥澨�Phys. Rev. Appl. 2015, 4, 064008

S. R. Bradley, K. P McKenna, A. L Shluger, 鈥淭he behaviour of oxygen at metal electrodes in HfO2听based resistive switching devices鈥澨�Microel. Eng.,听2013, 109, 346

Sebastian Dixon

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

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

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

Sergio Ruiz-Hernandez

S. Ruiz Hernandez, R. I. Ainsworth, N. H. de Leeuw, Molecular dynamics simulations of bio-active phosphate-based glass surfaces.听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.听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.听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.听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.听Geochimica et Cosmochimica Acta, 2010, 74 (4), pp. 1320-1328.

Sreelekha Benny

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

Szymon Daraszweicz

S.L. Daraszewicz and D.M. Duffy, Extending the inelastic thermal spike model for semiconductors and insulators,听Nucl. Instr. Meth. Phys. Res .B听,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.听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.听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.听Matrix Biology,听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,听Applied Physics Letters听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,听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 纬-Bi2MoO6 catalyst studied by combined high-resolution powder diffraction, XANES and Raman spectroscopy,听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,听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鈥�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鈥�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鈥�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鈥�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听and听tBuAsH2 under ambient pressure, J. Phys. Chem. C 2016, 120, 7013鈥�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鈥�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鈥�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锛員echnology Review 2015, 33, 92鈥�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鈥�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鈥�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鈥�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鈥�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鈥�12184 (Featured on issue back insert cover)

Y. Lu,听S. Sathasivam,听J. Song,听F. Chen,听W. Xu,听C. J. Carmalt,听I. P. Parkin, Creating superhydrophobic mild steel surfaces for water proofing and oil-water separation, J. Mater. Chem. A 2014, 2, 11628鈥�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,听6, 19858鈥�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鈥�287.

听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鈥�352.

听

Yasmine Al-Hamdani

Y. S. Al-Hamdani, M. Ma, D. Alf猫, O. A. von Lilienfeld, and A. Michaelides, 鈥淐ommunication: Water on hexagonal boron nitride from diffusion Monte Carlo鈥�, J. Chem. Phys. 2015,听 142, 181101.

Y. S. Al-Hamdani, D. Alf猫, O. A. von Lilienfeld, and A. Michaelides, 鈥淲ater on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding鈥�,J. Chem. Phys., 2014, 141, 18C530.

Y. S. Al-Hamdani, D. Alf猫, 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. Alf猫, O. A. von Lilienfeld, and A. Michaelides, 鈥淲ater on hexagonal boron nitride from diffusion Monte Carlo鈥� J. Chem. Phys., 2015, 142, 181101.

Y. S. Al-Hamdani, D. Alf猫, O. A. von Lilienfeld, and A. Michaelides, 鈥淲ater on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding鈥� J. Chem. Phys., 2014, 141, 18C530 .

Yee Tieh Chow

M.R. Farrow, Y. Chow, S.M. Woodley, 鈥漇tructure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy Landscape?鈥澨�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.听European Polymer Journal听, 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.听J. Phys. Chem. C听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.听Phys. Chem. Chem. Phys.听12, 6253-6259 (2010).