Publications

RSC PCCP Hot Article: Perspective on Bioglass Simulations

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Electrical Control of Single Atom Magnets

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The energy needed to change the magnetic orientation of a single atom – which determines its magnetic stability and therefore its usefulness in a variety of future device applications – can be modified by varying the atom’s electrical coupling to nearby metals.

Lithium and oxygen adsorption at MnO2 (110) surface

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R. Grau-Crespo, J. Mater. Chem. A, 2013, 1, 14879

The adsorption and co-adsorption of lithium and oxygen at the surface of rutile-like manganese dioxide (β-MnO2), which are important in the context of Li–air batteries, are investigated using density functional theory. In the absence of lithium, the most stable surface of β-MnO2, the (110), adsorbs oxygen in the form of peroxo groups bridging between two manganese cations. Conversely, in the absence of excess oxygen, lithium atoms adsorb on the (110) surface at two different sites, which are both tri-coordinated to surface oxygen anions, and the adsorption always involves the transfer of one electron from the adatom to one of the five-coordinated manganese cations at the surface, creating (formally) Li+ and Mn3+ species. The co-adsorption of lithium and oxygen leads to the formation of a surface oxide, involving the dissociation of the O2 molecule, where the O adatoms saturate the coordination of surface Mn cations and also bind to the Li adatoms. This process is energetically more favourable than the formation of gas-phase lithium peroxide (Li2O2) monomers, but less favourable than the formation of Li2O2 bulk. These results suggest that the presence of β-MnO2 in the cathode of a non-aqueous Li–O2 battery lowers the energy for the initial reduction of oxygen during cell discharge.

Designer Piercings: New membrane pores with DNA nanotechnology

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DNA nanopore anchored in a lipid bilayer. Credit: Angewandte Chemie

5 November 2013

The DNA nanopore (in blue) is a tube formed of folded strands of DNA. The porphyrin anchors, in red, anchor it securely between the two layers of the cell membrane (in grey), which is shown in cross-section.

Au- and Pt-Nanoparticle-Functionalized Tungsten Oxide Nanoneedles for Selective Gas Microsensor Arrays

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C.Blackman, Adv. Funct. Mater., 2013, 23, 1313-1322; DOI: 10.1002/adfm.201201871

Chris Blackman demonstrates a new gas-phase method for the one-step synthesis of metal nanoparticles supported on nanostructured metal oxides as a featured cover article in Advanced Functional Materials. With no requirement for substrate pre-treatment, this provides for direct integration of the co-deposited nanomaterial with device structures and it is utilized for the fabrication of selective gas microsensor arrays based on gold and platinum decorated tungsten oxide nanorods.

Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons

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A.Sokol,R.Catlow,Chemphysicchem,2012,13,3453-3456,DOI:10.1002/cphc.201200517

Gargi Dutta, Alexey A. Sokol*, C. Richard A. Catlow,
Thomas W. Keal, and Paul Sherwood

ACS Present Department with John William Draper medal

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John William Draper medal

John William Draper – When the College opened in 1828, the Professor of Chemistry who was appointed was Edward Turner. One of his students was John William Draper who later emigrated to the United States and became professor of chemistry at New York University. He had a distinguished career, particularly in the new field of photography. He was the first to photograph the moon (1840) and the Great Orion Galaxy (1880), and he is known as the first astrophotographer.

Ice structures, patterns, and processes: A view across the icefields

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S.D.Price__Rev._Mod._Phys._84__885_944__2012_

Stephen D Price and colleagues have published a review article regarding the importance of ice research across a range of disciplines.

Perspective: Quo Vadis, agostic bonding?

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J.SASSMANNSHAUSEN,Dalton Trans., 2012, 41, 1919-1923  DOI: 10.1039/C1DT11213A

The ability of some organometallic compounds to form agostic bonds has been first recognises by M.L.H. Green and M. Brookhard in 1983. In this perspective contribution, a more personal look of how this area has developed over the last decades is reported.

The Use of Combinatorial Aerosol-Assisted Chemical Vapour Deposition for the Formation of Gallium-Indium-Oxide Thin Films

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C.J.Carmalt, J.Mater.Chem, 2011,21,12644-12649 DOI:10.1039/c1jm11606a



This paper describes the use of combinatorial aerosol-assisted chemical vapour deposition (cAACVD) to deposit gallium-doped indium oxide thin films. The oxide films, GaxIn2-xO3, were deposited within composition graduated films from the aerosol-assisted CVD of GaMe3, InMe3 and HOCH2CH2OMe. Amorphous Ga2O3 was deposited closest to the inlet from the bubbler containing GaMe3/HOCH2CH2OMe whereas crystalline In2O3 was grown on the substrate closest to the inlet from the bubbler containing InMe3/HOCH2CH2OMe. A range of gallium-indium-oxide compositions, GaxIn2-xO3, were deposited on the substrate in the region between the two inlets. This allowed for a systematic investigation on the effect of doping on gallium and indium oxide and a direct relationship between composition and conductivity of the films was observed. This new technique combines the advantages of AACVD (volatility/thermal stability restrictions are removed) with those of cAPCVD/cLPCVD (rapid deposition/analysis of a compositional gradient). By utilizing a liquid-gas aerosol, as is employed in combinatorial AACVD, the restrictions of volatility and thermal stability are lifted and so new precursors and materials can be investigated.

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