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Winton Programme for the Physics of Sustainability

Department of Physics

2016 2015 2014  2013  2012



Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory, Tait, E.W., L.E. Ratcliff, M.C. Payne, P.D. Haynes, and N.D.M. Hine, Journal of Physics-Condensed Matter, 28 (19), (2016); doi:10.1088/0953-8984/28/19/195202.

Supercell convergence of charge-transfer energies in pentacene molecular crystals from constrained DFT, Turban, D.H.P., G. Teobaldi, D.D. O'Regan, and N.D.M. Hine, Physical Review B, 93 (16), (2016); doi:10.1103/PhysRevB.93.165102.

Multipurpose Black-Phosphorus/hBN Heterostructures, Constantinescu, G.C. and N.D.M. Hine, Nano Letters, 16 (4), 2586 (2016); doi:10.1021/acs.nanolett.6b00154.

Photon recycling in lead iodide perovskite solar cells, Pazos-Outon, L.M., M. Szumilo, R. Lamboll, J.M. Richter, M. Crespo-Quesada, M. Abdi-Jalebi, H.J. Beeson, M. Vrucinic, M. Alsari, H.J. Snaith, B. Ehrler, R.H. Friend, and F. Deschler, Science, 351 (6280), 1430 (2016); doi:10.1126/science.aaf1168.

Solvent Effects on Electronic Excitations of an Organic Chromophore, Zuehlsdorff, T.J., P.D. Haynes, F. Hanke, M.C. Payne, and N.D.M. Hine, Journal of Chemical Theory and Computation, 12 (4), 1853 (2016); doi:10.1021/acs.jctc.5b01014.

Ab Initio Study of Phosphorus Anodes for Lithium- and Sodium-Ion Batteries, Mayo, M., K.J. Griffith, C.J. Pickard, and A.J. Morris, Chemistry of Materials, 28 (7), 2011 (2016); doi:10.1021/acs.chemmater.5b04208.

Systematic layer-by-layer characterization of multilayers for three-dimensional data storage and logic, Petit, D., R. Lavrijsen, J. Lee, R. Mansell, A. Fernandez-Pacheco, and R.P. Cowburn, Nanotechnology, 27 (15), (2016); doi:10.1088/0957-4484/27/15/155203.

Programming Light-Harvesting Efficiency Using DNA Origami, Hemmig, E.A., C. Creatore, B. Wuensch, L. Hecker, P. Mair, M.A. Parker, S. Emmott, P. Tinnefeld, U.F. Keyser, and A.W. Chin, Nano Letters, 16 (4), 2369 (2016); doi:10.1021/acs.nanolett.5b05139.

Synthesis and Optical Properties of Lead-Free Cesium Tin Halide Perovskite Nanocrystals, Jellicoe, T.C., J.M. Richter, H.F.J. Glass, M. Tabachnyk, R. Brady, S.E. Dutton, A. Rao, R.H. Friend, D. Credgington, N.C. Greenham, and M.L. Boehm, Journal of the American Chemical Society, 138 (9), 2941 (2016); doi:10.1021/jacs.5b13470.

Reducing dynamic disorder in small-molecule organic semiconductors by suppressing large-amplitude thermal motions, Illig, S., A.S. Eggeman, A. Troisi, L. Jiang, C. Warwick, M. Nikolka, G. Schweicher, S.G. Yeates, Y.H. Geerts, J.E. Anthony, and H. Sirringhaus, Nature Communications, 7, (2016); doi:10.1038/ncomms10736.

Polarisation-selective hotspots in metallic ring stack arrays, Brooks, L.J., J. Mertens, R.W. Bowman, R. Chikkaraddy, A. Sanders, and J.J. Baumberg, Optics Express, 24 (4), 3663 (2016); doi:10.1364/oe.24.003663.

Anomalous Spectral Shift of Near- and Far-Field Plasmonic Resonances in Nanogaps, Lombardi, A., A. Demetriadou, L. Weller, P. Andrae, F. Benz, R. Chikkaraddy, J. Aizpurua, and J.J. Baumberg, Acs Photonics, 3 (3), 471 (2016); doi:10.1021/acsphotonics.5b00707.

Phase-dependent exciton transport and energy harvesting from thermal environments, Oviedo-Casado, S., J. Prior, A.W. Chin, R. Rosenbach, S.F. Huelga, and M.B. Plenio, Physical Review A, 93 (2), (2016); doi:10.1103/PhysRevA.93.020102.

Tracking Sodium-Antimonide Phase Transformations in Sodium-Ion Anodes: Insights from Operando Pair Distribution Function Analysis and Solid-State NMR Spectroscopy, Allan, P.K., J.M. Griffin, A. Darwiche, O.J. Borkiewicz, K.M. Wiaderek, K.W. Chapman, A.J. Morris, P.J. Chupas, L. Monconduit, and C.P. Grey, Journal of the American Chemical Society, 138 (7), 2352 (2016); doi:10.1021/jacs.5b13273.

The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study, Poli, E., J.D. Elliott, L.E. Ratcliff, L. Andrinopoulos, J. Dziedzic, N.D.M. Hine, A.A. Mostofi, C.K. Skylaris, P.D. Haynes, and G. Teobaldi, Journal of Physics-Condensed Matter, 28 (7), (2016); doi:10.1088/0953-8984/28/7/074003.

Observing Single Molecules Complexing with Cucurbit 7 uril through Nanogap Surface-Enhanced Raman Spectroscopy, Sigle, D.O., S. Kasera, L.O. Herrmann, A. Palma, B. de Nijs, F. Benz, S. Mahajan, J.J. Baumberg, and O.A. Scherman, Journal of Physical Chemistry Letters, 7 (4), 704 (2016); doi:10.1021/acs.jpclett.5b02535.


Vertical shift register using dipolar interaction in magnetic multilayers, Chin, S.-L., A. Fernandez-Pacheco, D.C.M.C. Petit, and R.P. Cowburn, Journal of Applied Physics, 118 (23), (2015); doi:10.1063/1.4937915.

Generalized circuit model for coupled plasmonic systems, Benz, F., B. de Nijs, C. Tserkezis, R. Chikkaraddy, D.O. Sigle, L. Pukenas, S.D. Evans, J. Aizpurua, and J.J. Baumberg, Optics Express, 23 (26), 33255 (2015); doi:10.1364/oe.23.033255.

LiMnTiO4 with the Na0.44MnO2 Structure as a Positive Electrode for Lithium-Ion Batteries, Amigues, A.M., H.F.J. Glass, and S.E. Dutton, Journal of the Electrochemical Society, 163 (3), A396 (2016); doi:10.1149/2.0231603jes.

Magnetotransport signatures of a single nodal electron pocket constructed from Fermi arcs, Harrison, N. and S.E. Sebastian, Physical Review B, 92 (22), (2015); doi:10.1103/PhysRevB.92.224505.

Electrical manipulation of ferromagnetic NiFe by antiferromagnetic IrMn, Tshitoyan, V., C. Ciccarelli, A.P. Mihai, M. Ali, A.C. Irvine, T.A. Moore, T. Jungwirth, and A.J. Ferguson, Physical Review B, 92 (21), (2015); doi:10.1103/PhysRevB.92.214406.

Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals, Zuehlsdorff, T.J., N.D.M. Hine, M.C. Payne, and P.D. Haynes, Journal of Chemical Physics, 143 (20), (2015); doi:10.1063/1.4936280.

Influence of an Inorganic Inter layer on Exciton Separation in Hybrid Solar Cells, Armstrong, C.L., M.B. Price, D. Munoz-Rojas, N.J.K.L. Davis, M. Abdi-Jalebi, R.H. Friend, N.C. Greenham, J.L. MacManus-Driscoll, M.L. Boehm, and K.P. Musselman, Acs Nano, 9 (12), 11863 (2015); doi:10.1021/acsnano.5b05934.

Hybridization of plasmonic antenna and cavity modes: Extreme optics of nanoparticle-on-mirror nanogaps, Tserkezis, C., R. Esteban, D.O. Sigle, J. Mertens, L.O. Herrmann, J.J. Baumberg, and J. Aizpurua, Physical Review A, 92 (5), (2015); doi:10.1103/PhysRevA.92.053811.

Real-time observation of multiexcitonic states in ultrafast singlet fission using coherent 2D electronic spectroscopy, Bakulin, A.A., S.E. Morgan, T.B. Kehoe, M.W.B. Wilson, A.W. Chin, D. Zigmantas, D. Egorova, and A. Rao, Nature Chemistry, 8 (1), 16 (2016); doi:10.1038/nchem.2371.

Lead Telluride Quantum Dot Solar Cells Displaying External Quantum Efficiencies Exceeding 120%, Boehm, M.L., T.C. Jellicoe, M. Tabachnyk, N.J.L.K. Davis, F. Wisnivesky-Rocca-Rivarola, C. Ducati, B. Ehrler, A.A. Bakulin, and N.C. Greenham, Nano Letters, 15 (12), 7987 (2015); doi:10.1021/acs.nanolett.5b03161.

Scalable Microaccordion Mesh for Deformable and Stretchable Metallic Films, Mertens, J., R.W. Bowman, J.C.W. Willis, A. Robinson, D. Cotton, R. White, K.A. Seffen, and J.J. Baumberg, Physical Review Applied, 4 (4), (2015); doi:10.1103/PhysRevApplied.4.044006.

Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles, Corsini, N.R.C., Y. Zhang, W.R. Little, A. Karatutlu, O. Ersoy, P.D. Haynes, C. Molteni, N.D.M. Hine, I. Hernandez, J. Gonzaez, F. Rodriguez, V.V. Brazhkin, and A. Sapelkin, Nano Letters, 15 (11), 7334 (2015); doi:10.1021/acs.nanolett.5b02627.

Nanoscale investigation of organic - inorganic halide perovskites, Cacovich, S., G. Divitini, M. Vrucinic, A. Sadhanala, R.H. Friend, H. Sirringhaus, F. Deschler, C. Ducati, and Iop, Electron Microscopy and Analysis Group Conference, 644, (2015); doi:10.1088/1742-6596/644/1/012024.

Quantum criticality in the 122 iron pnictide superconductors emerging from orbital-selective Mottness, Das, S.D., M.S. Laad, L. Craco, J. Gillett, V. Tripathi, and S.E. Sebastian, Physical Review B, 92 (15), (2015); doi:10.1103/PhysRevB.92.155112.

Designing disordered materials using DNA-coated colloids of bacteriophage fd and gold, Ruff, Z., S.H. Nathan, R.R. Unwin, M. Zupkauskas, D. Joshi, G.P.C. Salmond, C.P. Grey, and E. Eiser, Faraday Discussions, 186, 473 (2016); doi:10.1039/c5fd00120j.

Multiple-exciton generation in lead selenide nanorod solar cells with external quantum efficiencies exceeding 120%, Davis, N.J.L.K., M.L. Boehm, M. Tabachnyk, F. Wisnivesky-Rocca-Rivarola, T.C. Jellicoe, C. Ducati, B. Ehrler, and N.C. Greenham, Nature Communications, 6, (2015); doi:10.1038/ncomms9259.

Hot-carrier cooling and photoinduced refractive index changes in organic-inorganic lead halide perovskites, Price, M.B., J. Butkus, T.C. Jellicoe, A. Sadhanala, A. Briane, J.E. Halpert, K. Broch, J.M. Hodgkiss, R.H. Friend, and F. Deschler, Nature Communications, 6, (2015); doi:10.1038/ncomms9420.

Capillary-Force-Assisted Optical Tuning of Coupled Plasmons, Ding, T., J. Mertens, D.O. Sigle, and J.J. Baumberg, Advanced Materials, 27 (41), 6457 (2015); doi:10.1002/adma.201503292.

3D Magnetic Induction Maps of Nanoscale Materials Revealed by Electron Holographic Tomography, Wolf, D., L.A. Rodriguez, A. Beche, E. Javon, L. Serrano, C. Magen, C. Gatel, A. Lubk, H. Lichte, S. Bals, G. Van Tendeloo, A. Fernandez-Pacheco, J.M. De Teresa, and E. Snoeck, Chemistry of Materials, 27 (19), 6771 (2015); doi:10.1021/acs.chemmater.5b02723.

Controlling nucleation in perpendicularly magnetized nanowires through in-plane shape, Mansell, R., A. Beguivin, D.C.M.C. Petit, A. Fernandez-Pacheco, J.H. Lee, and R.P. Cowburn, Applied Physics Letters, 107 (9), (2015); doi:10.1063/1.4930152.

Blue-Green Color Tunable Solution Processable Organolead Chloride-Bromide Mixed Halide Perovskites for Optoelectronic Applications, Sadhanala, A., S. Ahmad, B. Zhao, N. Giesbrecht, P.M. Pearce, F. Deschler, R.L.Z. Hoye, K.C. Goedel, T. Bein, P. Docampo, S.E. Dutton, M.F.L. De Volder, and R.H. Friend, Nano Letters, 15 (9), 6095 (2015); doi:10.1021/acs.nanolett.5b02369.

Fragile charge order in the nonsuperconducting ground state of the underdoped high-temperature superconductors, Tan, B.S., N. Harrison, Z. Zhu, F. Balakirev, B.J. Ramshaw, A. Srivastava, S.A. Sabok, B. Dabrowski, G.G. Lonzarich, and S.E. Sebastian, Proceedings of the National Academy of Sciences of the United States of America, 112 (31), 9568 (2015); doi:10.1073/pnas.1504164112.

Elevated Curie temperature and half-metallicity in the ferromagnetic semiconductor LaxEu1-xO, Monteiro, P.M.S., P.J. Baker, N.D.M. Hine, N.-J. Steinke, A. Ionescu, J.F.K. Cooper, C.H.W. Barnes, C.J. Kinane, Z. Salman, A.R. Wildes, T. Prokscha, and S. Langridge, Physical Review B, 92 (4), (2015); doi:10.1103/PhysRevB.92.045202.

Microscopic Origin of the Hofmeister Effect in Gelation Kinetics of Colloidal Silica, van der Linden, M., B.O. Conchuir, E. Spigone, A. Niranjan, A. Zaccone, and P. Cicuta, Journal of Physical Chemistry Letters, 6 (15), 2881 (2015); doi:10.1021/acs.jpclett.5b01300.

Unconventional Fermi surface in an insulating state, Tan, B.S., Y.T. Hsu, B. Zeng, M.C. Hatnean, N. Harrison, Z. Zhu, M. Hartstein, M. Kiourlappou, A. Srivastava, M.D. Johannes, T.P. Murphy, J.H. Park, L. Balicas, G.G. Lonzarich, G. Balakrishnan, and S.E. Sebastian, Science, 349 (6245), 287 (2015); doi:10.1126/science.aaa7974.

Elastic and magnetoelastic relaxation behaviour of multiferroic (ferromagnetic plus ferroelectric plus ferroelastic) Pb(Fe0.5Nb0.5)O-3 perovskite, Carpenter, M.A., J.A. Schiemer, I. Lascu, R.J. Harrison, A. Kumar, R.S. Katiyar, N. Ortega, D.A. Sanchez, C.S. Mejia, W. Schnelle, M. Echizen, H. Shinohara, A.J.F. Heap, R. Nagaratnam, S.E. Dutton, and J.F. Scott, Journal of Physics-Condensed Matter, 27 (28), (2015); doi:10.1088/0953-8984/27/28/285901.

Bulk electronic structure of Zn-Mg-Y and Zn-Mg-Dy icosahedral quasicrystals, Nayak, J., M. Maniraj, A. Gloskovskii, M. Krajci, S. Sebastian, I.R. Fisher, K. Horn, and S.R. Barman, Physical Review B, 91 (23), (2015); doi:10.1103/PhysRevB.91.235116.

Identification of a triplet pair intermediate in singlet exciton fission in solution, Stern, H.L., A.J. Musser, S. Gelinas, P. Parkinson, L.M. Herz, M.J. Bruzek, J. Anthony, R.H. Friend, and B.J. Walker, Proceedings of the National Academy of Sciences of the United States of America, 112 (25), 7656 (2015); doi:10.1073/pnas.1503471112.

Phonon-assisted ultrafast charge separation in the PCBM band structure, Smith, S.L. and A.W. Chin, Physical Review B, 91 (20), (2015); doi:10.1103/PhysRevB.91.201302.

Controllable Tuning Plasmonic Coupling with Nanoscale Oxidation, Ding, T., D. Sigle, L. Zhang, J. Mertens, B. de Nijs, and J. Baumberg, Acs Nano, 9 (6), 6110 (2015); doi:10.1021/acsnano.5b01283.

Energy landscape and band-structure tuning in realistic MoS2/MoSe2 heterostructures, Constantinescu, G.C. and N.D.M. Hine, Physical Review B, 91 (19), (2015); doi:10.1103/PhysRevB.91.195416.

Raman study of magnetic excitations and magnetoelastic coupling in alpha-SrCr2O4, Valentine, M.E., S. Koohpayeh, M. Mourigal, T.M. McQueen, C. Broholm, N. Drichko, S.E. Dutton, R.J. Cava, T. Birol, H. Das, and C.J. Fennie, Physical Review B, 91 (14), (2015); doi:10.1103/PhysRevB.91.144411.

Identifying and tracing potential energy surfaces of electronic excitations with specific character via their transition origins: application to oxirane, Li, J.-H., T.J. Zuehlsdorff, M.C. Payne, and N.D.M. Hine, Physical Chemistry Chemical Physics, 17 (18), 12065 (2015); doi:10.1039/c5cp01018g.

DNA-Tile Structures Induce Ionic Currents through Lipid Membranes, Goepfrich, K., T. Zettl, A.E.C. Meijering, S. Hernandez-Ainsa, S. Kocabey, T. Liedl, and U.F. Keyser, Nano Letters, 15 (5), 3134 (2015); doi:10.1021/acs.nanolett.5b00189.

Quantum Oscillations in Hole-Doped Cuprates, Sebastian, S.E. and C. Proust, Annual Review of Condensed Matter Physics, Vol 6, 6, 411 (2015); doi:10.1146/annurev-conmatphys-030212-184305.

Quasiparticle mass enhancement approaching optimal doping in a high-T-c superconductor, Ramshaw, B.J., S.E. Sebastian, R.D. McDonald, J. Day, B.S. Tan, Z. Zhu, J.B. Betts, R. Liang, D.A. Bonn, W.N. Hardy, and N. Harrison, Science, 348 (6232), 317 (2015); doi:10.1126/science.aaa4990.

Theory and Practice: Bulk Synthesis of C3B and its H-2- and Li-Storage Capacity, King, T.C., P.D. Matthews, H. Glass, J.A. Cormack, J. Pedro Holgado, M. Leskes, J.M. Griffin, O.A. Scherman, P.D. Barker, C.P. Grey, S.E. Dutton, R.M. Lambert, G. Tustin, A. Alavi, and D.S. Wright, Angewandte Chemie-International Edition, 54 (20), 5919 (2015); doi:10.1002/anie.201412200.

Evidence for conical intersection dynamics mediating ultrafast singlet exciton fission, Musser, A.J., M. Liebel, C. Schnedermann, T. Wende, T.B. Kehoe, A. Rao, and P. Kukura, Nature Physics, 11 (4), 352 (2015); doi:10.1038/nphys3241.

Effects of stoichiometric doping in superconducting Bi-O-S compounds, Morice, C., E. Artacho, S.E. Dutton, D. Molnar, H.-J. Kim, and S.S. Saxena, Journal of Physics-Condensed Matter, 27 (13), (2015); doi:10.1088/0953-8984/27/13/135501.

Role of hydrogen-bonding and its interplay with octahedral tilting in CH3NH3PbI3, Lee, J.-H., N.C. Bristowe, P.D. Bristowe, and A.K. Cheetham, Chemical Communications, 51 (29), 6434 (2015); doi:10.1039/c5cc00979k.

A robust soliton ratchet using combined antiferromagnetic and ferromagnetic interlayer couplings, Mansell, R., R. Lavrijsen, A. Fernandez-Pacheco, D.C.M.C. Petit, J.H. Lee, B. Koopmans, H.J.M. Swagten, and R.P. Cowburn, Applied Physics Letters, 106 (9), (2015); doi:10.1063/1.4914014.

Self-Aligned Colloidal Lithography for Controllable and Tuneable Plasmonic Nanogaps, Ding, T., L.O. Herrmann, B. de Nijs, F. Benz, and J.J. Baumberg, Small, 11 (18), 2139 (2015); doi:10.1002/smll.201402639.

Atmospheric Influence upon Crystallization and Electronic Disorder and Its Impact on the Photophysical Properties of Organic-Inorganic Perovskite Solar Cells, Pathak, S., A. Sepe, A. Sadhanala, F. Deschler, A. Haghighirad, N. Sakai, K.C. Goedel, S.D. Stranks, N. Noel, M. Price, S. Huettner, N.A. Hawkins, R.H. Friend, U. Steiner, and H.J. Snaith, Acs Nano, 9 (3), 2311 (2015); doi:10.1021/nn506465n.

Electroluminescence from Organometallic Lead Halide Perovskite-Conjugated Polymer Diodes, Sadhanala, A., A. Kumar, S. Pathak, A. Rao, U. Steiner, N.C. Greenham, H.J. Snaith, and R.H. Friend, Advanced Electronic Materials, 1 (3), (2015); doi:10.1002/aelm.201500008.

Elucidation of the Local and Long-Range Structural Changes that Occur in Germanium Anodes in Lithium-Ion Batteries, Jung, H., P.K. Allan, Y.-Y. Hu, O.J. Borkiewicz, X.-L. Wang, W.-Q. Han, L.-S. Du, C.J. Pickard, P.J. Chupas, K.W. Chapman, A.J. Morris, and C.P. Grey, Chemistry of Materials, 27 (3), 1031 (2015); doi:10.1021/cm504312x.

Biophotovoltaics: oxygenic photosynthetic organisms in the world of bioelectrochemical systems, McCormick, A.J., P. Bombelli, R.W. Bradley, R. Thorne, T. Wenzel, and C.J. Howe, Energy & Environmental Science, 8 (4), 1092 (2015); doi:10.1039/c4ee03875d.

A composite element bit design for magnetically encoded microcarriers for future combinatorial chemistry applications, Love, D.M., K.N. Vyas, A. Fernandez-Pacheco, J. Llandro, J.J. Palfreyman, T. Mitrelias, and C.H.W. Barnes, Rsc Advances, 5 (14), 10211 (2015); doi:10.1039/c4ra16991c.


Solution-Processable Singlet Fission Photovoltaic Devices, Yang, L., M. Tabachnyk, S.L. Bayliss, M.L. Boehm, K. Broch, N.C. Greenham, R.H. Friend, and B. Ehrler, Nano Letters, 15 (1), 354 (2015); doi:10.1021/nl5036050a.

Monitoring Morphological Changes in 2D Mono layer Semiconductors Using Atom-Thick Plasmonic Nanocavities, Sigle, D.O., J. Mertens, L.O. Herrmann, R.W. Bowman, S. Ithurria, B. Dubertret, Y. Shi, H.Y. Yang, C. Tserkezis, J. Aizpurua, and J.J. Baumberg, Acs Nano, 9 (1), 825 (2015); doi:10.1021/nn5064198.

Self-Aligned Colloidal Lithography for Controllable and Tuneable Plasmonic Nanogaps, Ding, T., L.O. Herrmann, B. de Nijs, F. Benz, and J.J. Baumberg, Small, 11 (18), 2139 (2015); doi:10.1002/smll.201402639.

Nanooptics of Molecular-Shunted Plasmonic Nanojunctions, Benz, F., C. Tserkezis, L.O. Herrmann, B. de Nijs, A. Sanders, D.O. Sigle, L. Pukenas, S.D. Evans, J. Aizpurua, and J.J. Baumberg, Nano Letters, 15 (1), 669 (2015); doi:10.1021/nl5041786.

Influence of Interfacial Area on Exciton Separation and Polaron Recombination in Nanostructured Bilayer All-Polymer Solar Cells, Pfadler, T., M. Coric, C.M. Palumbiny, A.C. Jakowetz, K.-P. Strunk, J.A. Dorman, P. Ehrenreich, C. Wang, A. Hexemer, R.-Q. Png, P.K.H. Ho, P. Mueller-Buschbaum, J. Weickert, and L. Schmidt-Mende, Acs Nano, 8 (12), 12397 (2014); doi:10.1021/nn5064166.

Ab Initio Structure Search and in Situ Li-7 NMR Studies of Discharge Products in the Li-S Battery System, See, K.A., M. Leskes, J.M. Griffin, S. Britto, P.D. Matthews, A. Emly, A. Van der Ven, D.S. Wright, A.J. Morris, C.P. Grey, and R. Seshadri, Journal of the American Chemical Society, 136 (46), 16368 (2014); doi:10.1021/ja508982p.

Unfolding the contents of sub-nm plasmonic gaps using normalising plasmon resonance spectroscopy, de Nijs, B., R.W. Bowman, L.O. Herrmann, F. Benz, S.J. Barrow, J. Mertens, D.O. Sigle, R. Chikkaraddy, A. Eiden, A. Ferrari, O.A. Scherman, and J.J. Baumberg, Faraday Discussions, 178, 185 (2015); doi:10.1039/c4fd00195h.

Optomechanical Conversion by Mechanical Turbines, Knezevic, M. and M. Warner, Physical Review Applied, 2 (4), (2014); doi:10.1103/PhysRevApplied.2.044017.

Structure Influence on Charge Transport in Naphthalenediimide-Thiophene Copolymers, Szumilo, M.M., E.H. Gann, C.R. McNeill, V. Lemaur, Y. Oliver, L. Thomsen, Y. Vaynzof, M. Sommer, and H. Sirringhaus, Chemistry of Materials, 26 (23), 6796 (2014); doi:10.1021/cm5033578.

Bilayer-Spanning DNA Nanopores with Voltage-Switching between Open and Closed State, Seifert, A., K. Goepfrich, J.R. Burns, N. Fertig, U.F. Keyser, and S. Howorka, Acs Nano, 9 (2), 1117 (2015); doi:10.1021/nn5039433.

Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils, Wilkinson, K.A., N.D.M. Hine, and C.-K. Skylaris, Journal of Chemical Theory and Computation, 10 (11), 4782 (2014); doi:10.1021/ct500686r.

Resonant energy transfer of triplet excitons from pentacene to PbSe nanocrystals, Tabachnyk, M., B. Ehrler, S. Gelinas, M.L. Boehm, B.J. Walker, K.P. Musselman, N.C. Greenham, R.H. Friend, and A. Rao, Nature Materials, 13 (11), 1033 (2014); doi:10.1038/nmat4093.

Thermodynamically stable lithium silicides and germanides from density functional theory calculations, Morris, A.J., C.P. Grey, and C.J. Pickard, Physical Review B, 90 (5), (2014); doi:10.1103/PhysRevB.90.054111.

Watching individual molecules flex within lipid membranes using SERS, Taylor, R.W., F. Benz, D.O. Sigle, R.W. Bowman, P. Bao, J.S. Roth, G.R. Heath, S.D. Evans, and J.J. Baumberg, Scientific Reports, 4, (2014); doi:10.1038/srep05940.

Generalized multipolaron expansion for the spin-boson model: Environmental entanglement and the biased two-state system, Bera, S., A. Nazir, A.W. Chin, H.U. Baranger, and S. Florens, Physical Review B, 90 (7), (2014); doi:10.1103/PhysRevB.90.075110.

Bright light-emitting diodes based on organometal halide perovskite, Tan, Z.-K., R.S. Moghaddam, M.L. Lai, P. Docampo, R. Higler, F. Deschler, M. Price, A. Sadhanala, L.M. Pazos, D. Credgington, F. Hanusch, T. Bein, H.J. Snaith, and R.H. Friend, Nature Nanotechnology, 9 (9), 687 (2014); doi:10.1038/nnano.2014.149.

Constrained geometric dynamics of the Fenna-Matthews-Olson complex: the role of correlated motion in reducing uncertainty in excitation energy transfer, Fokas, A.S., D.J. Cole, and A.W. Chin, Photosynthesis Research, 122 (3), 275 (2014); doi:10.1007/s11120-014-0027-3.

Preparation of Single-Phase Films of CH3NH3Pb(I1-x,Br-x)(3) with Sharp Optical Band Edges, Sadhanala, A., F. Deschler, T.H. Thomas, S.E. Dutton, K.C. Goedel, F.C. Hanusch, M.L. Lai, U. Steiner, T. Bein, P. Docampo, D. Cahen, and R.H. Friend, Journal of Physical Chemistry Letters, 5 (15), 2501 (2014); doi:10.1021/jz501332v.

Intrinsic viscoelasticity in thin high-molecular-weight polymer films, Sheng, X., F. Wintzenrieth, K.R. Thomas, and U. Steiner, Physical Review E, 89 (6), (2014); doi:10.1103/PhysRevE.89.062604.

Normal-state nodal electronic structure in underdoped high-T-c copper oxides, Sebastian, S.E., N. Harrison, F.F. Balakirev, M.M. Altarawneh, P.A. Goddard, R. Liang, D.A. Bonn, W.N. Hardy, and G.G. Lonzarich, Nature, 511 (7507), 61 (2014); doi:10.1038/nature13326.

Ultrafast charge separation and nongeminate electron-hole recombination in organic photovoltaics, Smith, S.L. and A.W. Chin, Physical Chemistry Chemical Physics, 16 (38), 20305 (2014); doi:10.1039/c4cp01791a.

Excitons in a mirror: Formation of "optical bilayers" using MoS2 monolayers on gold substrates, Mertens, J., Y. Shi, A. Molina-Sanchez, L. Wirtz, H.Y. Yang, and J.J. Baumberg, Applied Physics Letters, 104 (19), (2014); doi:10.1063/1.4876475.

Effect of Inert Tails on the Thermodynamics of DNA Hybridization, Di Michele, L., B.M. Mognetti, T. Yanagishima, P. Varilly, Z. Ruff, D. Frenkel, and E. Eiser, Journal of the American Chemical Society, 136 (18), 6538 (2014); doi:10.1021/ja500027v.

Nonlinear Superchiral Meta-Surfaces: Tuning Chirality and Disentangling Non-Reciprocity at the Nanoscale, Valev, V.K., J.J. Baumberg, B. De Clercq, N. Braz, X. Zheng, E.J. Osley, S. Vandendriessche, M. Hojeij, C. Blejean, J. Mertens, C.G. Biris, V. Volskiy, M. Ameloot, Y. Ekinci, G.A.E. Vandenbosch, P.A. Warburton, V.V. Moshchalkov, N.C. Panoiu, and T. Verbiest, Advanced Materials, 26 (24), 4074 (2014); doi:10.1002/adma.201401021.

High Photoluminescence Efficiency and Optically Pumped Lasing in Solution-Processed Mixed Halide Perovskite Semiconductors, Deschler, F., M. Price, S. Pathak, L.E. Klintberg, D.-D. Jarausch, R. Higler, S. Huettner, T. Leijtens, S.D. Stranks, H.J. Snaith, M. Atatuere, R.T. Phillips, and R.H. Friend, Journal of Physical Chemistry Letters, 5 (8), 1421 (2014); doi:10.1021/jz5005285.

Mathematics for streamlined biofuel production from unicelluar algae, Bees, M.A. and O.A. Croze, Biofuels, 5 (1), 53-65 (2014); doi:10.4155/bfs.13.66

Protein film photoelectrochemistry of the water oxidation enzyme photosystem II, Kato, M., J.Z. Zhang, N. Paul, and E. Reisner, Chemical Society Reviews, 43 (18), 6485 (2014); doi:10.1039/c4cs00031e.

Enhancement of the magnetocaloric effect driven by changes in the crystal structure of Al- doped GGG, Gd3Ga5 -xAlxO12(0 <= x <= 5), Hamilton, A.C.S., G.I. Lampronti, S.E. Rowley, and S.E. Dutton, Journal of Physics-Condensed Matter, 26 (11), (2014); doi:10.1088/0953-8984/26/11/116001.

Mappings of open quantum systems onto chain representations and Markovian embeddings, Woods, M.P., R. Groux, A.W. Chin, S.F. Huelga, and M.B. Plenio, Journal of Mathematical Physics, 55 (3), (2014); doi:10.1063/1.4866769.

Mapping functional groups on oxidised multiwalled carbon nanotubes at the nanometre scale, Goode, A.E., N.D.M. Hine, S. Chen, S.D. Bergin, M.S.P. Shaffer, M.P. Ryan, P.D. Haynes, A.E. Porter, and D.W. McComb, Chemical Communications, 50 (51), 6744 (2014); doi:10.1039/c4cc02026j.

Point Defects and Non-stoichiometry in Li2TiO3, Murphy, S.T. and N.D.M. Hine, Chemistry of Materials, 26 (4), 1629 (2014); doi:10.1021/cm4038473.

OptaDOS: A tool for obtaining density of states, core-level and optical spectra from electronic structure codes, Morris, A.J., R.J. Nicholls, C.J. Pickard, and J.R. Yates, Computer Physics Communications, 185 (5), 1477 (2014); doi:10.1016/j.cpc.2014.02.013.

Direct exchange of vitamin B-12 is demonstrated by modelling the growth dynamics of algal-bacterial cocultures, Grant, M.A.A., E. Kazamia, P. Cicuta, and A.G. Smith, Isme Journal, 8 (7), 1418 (2014); doi:10.1038/ismej.2014.9.

Revealing lithium-silicide phase transformations in nano-structured silicon-based lithium ion batteries via in situ NMR spectroscopy, Ogata, K., E. Salager, C.J. Kerr, A.E. Fraser, C. Ducati, A.J. Morris, S. Hofmann, and C.P. Grey, Nature Communications, 5, (2014); doi:10.1038/ncomms4217.

Ultrafast Long-Range Charge Separation in Organic Semiconductor Photovoltaic Diodes, Gelinas, S., A. Rao, A. Kumar, S.L. Smith, A.W. Chin, J. Clark, T.S. van der Poll, G.C. Bazan, and R.H. Friend, Science, 343 (6170), 512 (2014); doi:10.1126/science.1246249.

Aggregation dynamics, structure, and mechanical properties of bigels, Di Michele, L., D. Fiocco, F. Varrato, S. Sastry, E. Eiser, and G. Foffi, Soft Matter, 10 (20), 3633 (2014); doi:10.1039/c3sm52558a.

Numerical comparison of a constrained path ensemble and a driven quasisteady state, Knezevic, M. and R.M.L. Evans, Physical Review E, 89 (1), (2014); doi:10.1103/PhysRevE.89.012132.

Analytical Model of Fractal Aggregate Stability and Restructuring in Shear Flows, Conchuir, B.O., Y.M. Harshe, M. Lattuada, and A. Zaccone, Industrial & Engineering Chemistry Research, 53 (22), 9109 (2014); doi:10.1021/ie4032605.

Stabilizing spin coherence through environmental entanglement in strongly dissipative quantum systems, Bera, S., S. Florens, H.U. Baranger, N. Roch, A. Nazir, and A.W. Chin, Physical Review B, 89 (12), (2014); doi:10.1103/PhysRevB.89.121108.



Toward Ab Initio Optical Spectroscopy of the Fenna-Matthews-Olson Complex, Cole, D.J., A.W. Chin, N.D.M. Hine, P.D. Haynes, and M.C. Payne, Journal of Physical Chemistry Letters, 4 (24), 4206 (2013); doi:10.1021/jz402000c.

Efficient Biologically Inspired Photocell Enhanced by Delocalized Quantum States, Creatore, C., M.A. Parker, S. Emmott, and A.W. Chin, Physical Review Letters, 111 (25), (2013); doi:10.1103/PhysRevLett.111.253601.

Wavelet analysis of molecular dynamics: Efficient extraction of time-frequency information in ultrafast optical processes, Prior, J., E. Castro, A.W. Chin, J. Almeida, S.F. Huelga, and M.B. Plenio, Journal of Chemical Physics, 139 (22), (2013); doi:10.1063/1.4837718.

Singlet exciton fission in solution, Walker, B.J., A.J. Musser, D. Beljonne, and R.H. Friend, Nature Chemistry, 5 (12), 1019 (2013); doi:10.1038/nchem.1801.

Flow-Induced Aggregation and Breakup of Particle Clusters Controlled by Surface Nanoroughness, Moussa, A.S., M. Lattuada, B.O. Conchuir, A. Zaccone, M. Morbidelli, and M. Soos, Langmuir, 29 (47), 14386 (2013); doi:10.1021/la403240k.

Optomechanical elastomeric engine, Knezevic, M. and M. Warner, Physical Review E, 88 (4), (2013); doi:10.1103/PhysRevE.88.040501.

Controlling Subnanometer Gaps in Plasmonic Dimers Using Graphene, Mertens, J., A.L. Eiden, D.O. Sigle, F. Huang, A. Lombardo, Z. Sun, R.S. Sundaram, A. Colli, C. Tserkezis, J. Aizpurua, S. Milana, A.C. Ferrari, and J.J. Baumberg, Nano Letters, 13 (11), 5033 (2013); doi:10.1021/nl4018463.

Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory, Corsini, N.R.C., A. Greco, N.D.M. Hine, C. Molteni, and P.D. Haynes, Journal of Chemical Physics, 139 (8), (2013); doi:10.1063/1.4819132.

Nanostructured conformal hybrid solar cells: a promising architecture towards complete charge collection and light absorption, Iza, D.C., D. Munoz-Rojas, K.P. Musselman, J. Weickert, A.C. Jakowetz, H. Sun, X. Ren, R.L.Z. Hoye, J.H. Lee, H. Wang, L. Schmidt-Mende, and J.L. MacManus-Driscoll, Nanoscale Research Letters, 8, (2013); doi:10.1186/1556-276x-8-359.

Linear-scaling time-dependent density-functional theory in the linear response formalism, Zuehlsdorff, T.J., N.D.M. Hine, J.S. Spencer, N.M. Harrison, D.J. Riley, and P.D. Haynes, Journal of Chemical Physics, 139 (6), (2013); doi:10.1063/1.4817330.

The role of spin in the kinetic control of recombination in organic photovoltaics, Rao, A., P.C.Y. Chow, S. Gelinas, C.W. Schlenker, C.-Z. Li, H.-L. Yip, A.K.Y. Jen, D.S. Ginger, and R.H. Friend, Nature, 500 (7463), 435 (2013); doi:10.1038/nature12339.

Measurement of molecular motion in organic semiconductors by thermal diffuse electron scattering, Eggeman, A.S., S. Illig, A. Troisi, H. Sirringhaus, and P.A. Midgley, Nature materials, 12 (11), 1045 (2013); doi:10.1038/nmat3710.

Activated Singlet Exciton Fission in a Semiconducting Polymer, Musser, A.J., M. Al-Hashimi, M. Maiuri, D. Brida, M. Heeney, G. Cerullo, R.H. Friend, and J. Clark, Journal of the American Chemical Society, 135 (34), 12747 (2013); doi:10.1021/ja405427j.

Photodynamics of stress in clamped nematic elastomers, Knezevic, M., M. Warner, M. Copic, and A. Sanchez-Ferrer, Physical Review E, 87 (6), (2013); doi:10.1103/PhysRevE.87.062503.

Mechanism of flow-induced biomolecular and colloidal aggregate breakup, Conchuir, B.O. and A. Zaccone, Physical Review E, 87 (3), (2013); doi:10.1103/PhysRevE.87.032310.

Exploiting Structured Environments for Efficient Energy Transfer: The Phonon Antenna Mechanism, del Rey, M., A.W. Chin, S.F. Huelga, and M.B. Plenio, Journal of Physical Chemistry Letters, 4 (6), 903 (2013); doi:10.1021/jz400058a.

Photoferroelectric solar to electrical conversion, Knezevic, M. and M. Warner, Applied Physics Letters, 102 (4), (2013); doi:10.1063/1.4789907.

Quantum dynamics in photonic crystals, Prior, J., I. de Vega, A.W. Chin, S.F. Huelga, and M.B. Plenio, Physical Review A, 87 (1), (2013); doi:10.1103/PhysRevA.87.013428.

The role of non-equilibrium vibrational structures in electronic coherence and recoherence in pigment-protein complexes, Chin, A.W., J. Prior, R. Rosenbach, F. Caycedo-Soler, S.F. Huelga, and M.B. Plenio, Nature Physics, 9 (2), 113 (2013); doi:10.1038/nphys2515.



Quantum Metrology in Non-Markovian Environments, Chin, A.W., S.F. Huelga, and M.B. Plenio, Physical Review Letters, 109 (23), (2012); doi:10.1103/PhysRevLett.109.233601.

Theory of photoferroelectric response in SmC* liquids, Knezcevic, M. and M. Warner, Journal of Chemical Physics, 137 (14), (2012); doi:10.1063/1.4757386.

Ground state and dynamics of the biased dissipative two-state system: Beyond variational polaron theory, Nazir, A., D.P.S. McCutcheon, and A.W. Chin, Physical Review B, 85 (22), (2012); doi:10.1103/PhysRevB.85.224301.


Winton Annual Report 2019

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