Author Archive

Breaking news for the CO bond

Scientists have pinpointed the moment that the CO bond, the strongest bond of any diatomic molecule, breaks when oxidised by a gold catalyst.

goldUntil now, research has only focussed on the catalysts’ active site and not on the reaction mechanisms. Graham Hutchings, Albert Carley and colleagues at the University of Cardiff have investigated the reaction mechanism occurring on a Au/Fe2O3 catalyst and found that CO dissociates at ambient temperature when co-adsorbed with O2.

The oxidation of CO gives a surprising result on a gold catalyst as the CO bond being broken is counter-intuitive since it is the strongest diatomic bond,’ says Hutchings.

Read the rest of the Chemistry World article

View the PCCP paper:

CO bond cleavage on supported nano-gold during low temperature oxidation
Albert F. Carley, David J. Morgan, Nianxue Song, M. Wyn Roberts, Stuart H. Taylor, Jonathan K. Bartley, David J. Willock, Kara L. Howard and Graham J. Hutchings
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/c0cp01852j

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Zigzag graphene nanoribbons

zizzag nanoribbonsHOT’ paper – read it now

The electronic transport properties based on the structures of an epoxy-pair chain on zigzag graphene nanoribbons are investigated.

I–V characteristics indicate that this graphene oxide can display the phenomenon of negative differential resistance (NDR) and may provide great potential applications in nanoelectronics by using modified graphene materials.

Negative differential resistance in oxidized zigzag graphene nanoribbons
Min Wang and Chang Ming Li
Phys. Chem. Chem. Phys., 2011, Advance Article
DOI: 10.1039/C0CP00828A

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Simulating molecular shuttles

‘HOT’ paper – investigating a molecular shuttle with nano-technological applications

simulating a molecular shuttleMolecular dynamics simulations and DFT calculations support experimental observations providing some insights into mechanical and electronic properties of a molecular shuttle working in acetonitrile solution.

Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experiments
Giordano Mancini, Costantino Zazza, Massimiliano Aschi and Nico Sanna
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01773F

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2D spectroscopy of amyloid fibrils

2D spectroscopy‘HOT’ article – read it today!

Distinct 2D near ultraviolet (2DNUV) spectroscopic signatures in amyloid fibrils are identified for different aromatic transitions and their couplings, and the change of residue–residue interactions induced by mutations.

Two-dimensional near-ultraviolet spectroscopy of aromatic residues in amyloid fibrils: a first principles study
Jun Jiang and Shaul Mukamel
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP02047H

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Multiply charged ions in the gas-phase – call for papers

PCCP is pleased to announce a high-profile themed issue on multiply charged ions (MCIs) in the gas-phase, Guest Edited by Professor Stephen Price (University College London) and Dr Jana Roithová (Charles University, Prague).

Submit to this themed issue – Submission Deadline: 16 May 2011

Fifteen years ago gas-phase multiply-charged ions (MCIs) were viewed as chemical oddities.  However, the development of a wide variety of new experimental and theoretical methodologies now means that the unique and unusual properties of these species (both negatively and positively charged) have begun to be revealed: from reactions forming new dicationic rare gas compounds to supramolecular assembly of multiply-charged species in a mass spectrometer.

Our increased understanding of the properties of MCIs allows us to appreciate that their chemistry may be involved in media as varied as fusion plasmas and planetary ionospheres.  Scientists are now working on vast range of MCI projects, yet these seemingly rather disparate fields are united because, in all cases, the properties of the MCIs are critically determined by the subtle competition of electrostatic repulsion and chemical bonding.

This issue will highlight the parallel progress and common themes in the chemical physics and physical chemistry of MCIs.  The varied topics covered will generate an issue which will appeal to the broad spread of scientists involved with gas-phase MCIs: molecular and chemical physicists, spectroscopists and mass spectrometrists, physical chemists and even inorganic chemists.

Submission details

  • You can submit via our online submissions service – please indicate your manuscript is intended for this themed issue.
  • Submissions should be high quality manuscripts of original, unpublished research. All submissions will be subject to rigorous peer review
  • This issue will be published in late 2011 anddisplayed at relevant conferences to maximise the visibility of the work published.
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PCCP paper featured on PhysOrg.com

A PCCP paper by Daniel Friebel and Anders Nilsson on the x-ray probing of a fuel cell catalyst was featured on PhysOrg.com this week

X-ray probeView the article on PhysOrg.com

Link to journal article:
In situ X-ray probing reveals fingerprints of surface platinum oxide

Daniel Friebel, Daniel J. Miller, Christopher P. O’Grady, Toyli Anniyev, John Bargar, Uwe Bergmann, Hirohito Ogasawara, Kjartan Thor Wikfeldt, Lars G. M. Pettersson and Anders Nilsson
Phys. Chem. Chem. Phys., 2011
DOI: 10.1039/C0CP01434F

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New transport model for solid oxide fuel cells

transport modelPCCP ‘HOT’ articleread it today!

Sossina Haile and colleagues have developed a 2D small-bias model to describe transport through a mixed ionic and electronic conductor (MIEC) with electrochemically-active surfaces, a system of particular relevance to solid oxide fuel cells.

Surface reaction and transport in mixed conductors with electrochemically-active surfaces: a 2-D numerical study of ceria
Francesco Ciucci, William C. Chueh, David G. Goodwin and Sossina M. Haile
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01219J

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New material for solid state lighting

‘HOT’ paper – hot off the press today!

solid-state lightingThree novel inorganic–organic framework compounds containing different organic chromophore ligands  have been synthesized and evaluated for their use as phosphor materials for solid state lighting and other applications.

Anthony Cheetham and colleagues discuss the structural parameters necessary for efficient, ligand-centred luminescence in inorganic–organic framework compounds.

Towards enhanced ligand-centred photoluminescence in inorganic–organic frameworks for solid state lighting
Joshua D. Furman, Brent C. Melot, Simon J. Teat, Alexander A. Mikhailovsky and Anthony K. Cheetham
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01717E

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Making oil extraction cheaper and greener

New method could mean that our oil reserves last longer

CO2 solventJulian Eastoe and colleagues at the University of Bristol have discovered a new method to extract oil using CO2 in an efficient and environmentally friendly way.

Read their recent PCCP Perspective article which reviews the various approaches for modification of solvent properties of supercritical carbon dioxide (scCO2).

Perspective review article
CO2: a wild solvent, tamed
Stephen Cummings, Kieran Trickett, Robert Enick and Julian Eastoe
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C003856C

Read the university press release on their latest research:
http://www.bris.ac.uk/news/2010/7339.html

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New material for optically detectable drug carriers

Room-temperature phosphorescence from mesoporous silica is observed, with the emission persisting for seconds after switching off the excitation.

metal-activator-free phosphorescenceSuch mesoporous silica materials, including both powders and monoliths, with strong phosphorescence could find promising applications as low-density and eco-friendly phosphors and optically detectable drug carriers.

Room-temperature metal-activator-free phosphorescence from mesoporous silica
Lei Zhao, Tian Ming, Huanjun Chen, Li Gong, Jian Chen and Jianfang Wang
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01981J

Jianfang Wang is also an Editor of new journal Nanoscale
read the latest issue for free today!

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