PCCP Blog

Take a look at this week’s HOT articles, which are free to access for a limited time:

Oxidation state of cross-over manganese species on the graphite electrode of lithium-ion cells
Sanketh R. Gowda, Kevin G. Gallagher, Jason R. Croy, Martin Bettge, Michael M. Thackeray and Mahalingam Balasubramanian
DOI: 10.1039/C4CP00764F, Communication

Vortex-induced aggregation in superfluid helium droplets
Daniel Spence, Elspeth Latimer, Cheng Feng, Adrian Boatwright, Andrew M. Ellis and Shengfu Yang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00525B, Communication

Electronic structure investigation of the evanescent AtO+ ion
André Severo Pereira Gomes, Florent Réal, Nicolas Galland, Celestino Angeli, Renzo Cimiraglia and Valérie Vallet
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C3CP55294B, Paper

Dynamics of metal uptake by charged soft biointerphases: impacts of depletion, internalisation, adsorption and excretion
Jérôme F. L. Duval and Elise Rotureau
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00210E, Paper

Separating the redox couple for highly efficient solid-state dye-sensitized solar cells
Juan Li, Wei Zhang, Lu Zhang and Zhong-Sheng Wang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00628C, Paper

An inelastic neutron scattering study of dietary phenolic acids
M. Paula M. Marques, Luís A. E. Batista de Carvalho, Rosendo Valero, Nelson F. L. Machado and Stewart F. Parker
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00338A, Paper

Analytical tools for single-molecule fluorescence imaging in cellulo
M. C. Leake
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00219A, Perspective

Take a look at this week’s HOT articles, which are free to access for a limited time:

Porphyrin-based sensor nanoarchitectonics in diverse physical detection modes
Shinsuke Ishihara, Jan Labuta, Wim Van Rossom, Daisuke Ishikawa, Kosuke Minami, Jonathan P. Hill and Katsuhiko Ariga
DOI: 10.1039/C3CP55431G, Perspective

Manipulating the excitation transfer in Photosystem I using a Fabry–Perot metal resonator with optical subwavelength dimensions
Alexander Konrad, Anna-Lisa Trost, Sepideh Skandary, Martin Hussels, Alfred J. Meixner, Navasard V. Karapetyan and Marc Brecht
DOI: 10.1039/C3CP55195D, Paper

Static 1H dynamic nuclear polarization with the biradical TOTAPOL: a transition between the solid effect and the cross effect
Daphna Shimon, Akiva Feintuch, Daniella Goldfarb and Shimon Vega
DOI: 10.1039/C3CP55504F, Paper

Low-temperature combustion chemistry of novel biofuels: resonance-stabilized QOOH in the oxidation of diethyl ketone
Adam M. Scheer, Oliver Welz, Judit Zádor, David L. Osborn and Craig A. Taatjes
DOI: 10.1039/C3CP55468F, Paper

Molecules in the mirror: how SERS backgrounds arise from the quantum method of images
Stephen M. Barnett, Nadine Harris and Jeremy J. Baumberg
DOI: 10.1039/C4CP00093E, Communication

A nine-dimensional global potential energy surface for NH4(X2A1) and kinetics studies on the H + NH3 ↔ H2 + NH2 reaction
Jun Li and Hua Guo
DOI: 10.1039/C4CP00241E, Paper

Floating orbital molecular dynamics simulations
Eva Perlt, Marc Brüssel and Barbara Kirchner
DOI: 10.1039/C3CP54797C, Paper

Central-transition double-quantum sideband NMR spectroscopy of half-integer quadrupolar nuclei: estimating internuclear distances and probing clusters within multi-spin networks
Andreas Brinkmann and Mattias Edén
DOI: 10.1039/C4CP00029C, Paper

Optical manipulation of single molecules in the living cell
Kamilla Norregaard, Liselotte Jauffred, Kirstine Berg-Sørensen and Lene Broeng Oddershede
DOI: 10.1039/C4CP00208C, Perspective

Take a look at this week’s HOT articles, which are free to access for a limited time:

Dye chemistry with time-dependent density functional theory
Adèle D. Laurent, Carlo Adamo and Denis Jacquemin
DOI: 10.1039/C3CP55336A, Perspective

Synthesis and characterisation of an unsymmetrical, ether-linked, fluorinated bimesogen exhibiting a new polymorphism containing the NTB or ‘twist-bend’ phase
R. J. Mandle, E. J. Davis, S. A. Lobato, C.-C. A. Vol, S. J. Cowling and J. W. Goodby
DOI: 10.1039/C4CP00172A, Paper

Understanding the superior photocatalytic activity of noble metals modified titania under UV and visible light irradiation
Ali Bumajdad and Metwally Madkour
DOI: 10.1039/C3CP54411G, Perspective

Mechanistic insight into highly efficient gas permeation and separation in a shape-persistent ladder polymer membrane
Jianhai Zhou, Xiang Zhu, Jun Hu, Honglai Liu, Ying Hu and Jianwen Jiang
DOI: 10.1039/C3CP55498H, Paper

A unified model for surface electrocatalysis based on observations with enzymes
Suzannah V. Hexter, Thomas F. Esterle and Fraser A. Armstrong
DOI: 10.1039/C3CP55230F, Perspective

Take a look at this week’s HOT article, which is free to access for a limited time:

Photo-active and dynamical properties of hematite (Fe2O3)–water interfaces: an experimental and theoretical study
Niall J. English, Mahfujur Rahman, Nitin Wadnerkar and J. M. D. MacElroy
DOI: 10.1039/C3CP54700K, Paper

Take a look at this week’s HOT articles, which are free to access for a limited time:

Recent developments in the application of nanomaterials to understanding molecular level processes in cobalt catalysed Fischer–Tropsch synthesis
S. K. Beaumont
DOI: 10.1039/C3CP55030C, Perspective

Unexpected effects of the alteration of structure and stability of myoglobin and hemoglobin in ammonium-based ionic liquids
Indrani Jha, Pankaj Attri and Pannuru Venkatesu
DOI: 10.1039/C3CP54398F, Paper

Yet another criticality of water
Kazuhiro Himoto, Masakazu Matsumoto and Hideki Tanaka
DOI: 10.1039/C3CP54726D, Communication

Take a look at this week’s HOT articles, which are free to access for a limited time:

Electrodeposition from supercritical fluids
P. N. Bartlett, D. A. Cook, M. W. George, A. L. Hector, J. Ke, W. Levason, G. Reid, D. C. Smith and W. Zhang
DOI: 10.1039/C3CP54955K, Perspective

Fatty acid droplet self-division driven by a chemical reaction
I. Derényi and I. Lagzi
DOI: 10.1039/C3CP54676D, Paper

Computational modeling of single- versus double-anchoring modes in di-branched organic sensitizers on TiO2 surfaces: structural and electronic properties
Joaquín Calbo, Mariachiara Pastore, Edoardo Mosconi, Enrique Ortí and Filippo De Angelis
DOI: 10.1039/C3CP54970D, Paper

Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces
Chuan Shi, Heine A. Hansen, Adam C. Lausche and Jens K. Nørskov
DOI: 10.1039/C3CP54822H, Paper

The cyclic ground state structure of the HF trimer revealed by far infrared jet-cooled Fourier transform spectroscopy
P. Asselin, P. Soulard, B. Madebène, M. Goubet, T. R. Huet, R. Georges, O. Pirali and P. Roy
DOI: 10.1039/C3CP55047H, Paper

Melt-infiltration of spiro-OMeTAD and thermal instability of solid-state dye-sensitized solar cells
Colin D. Bailie, Eva L. Unger, Shaik M. Zakeeruddin, Michael Grätzel and Michael D. McGehee
DOI: 10.1039/C4CP00116H, Paper

Protonic defects in yttria stabilized zirconia: incorporation, trapping and migration
James A. Dawson, Hungru Chen and Isao Tanaka
DOI: 10.1039/C4CP00021H, Paper

Unveiling mode-selected electron–phonon interactions in metal films by helium atom scattering
G. Benedek, M. Bernasconi, K.-P. Bohnen, D. Campi, E. V. Chulkov, P. M. Echenique, R. Heid, I. Yu. Sklyadneva and J. P. Toennies
DOI: 10.1039/C3CP54834A, Perspective

Take a look at this week’s HOT articles, which are free to access for a limited time:

Current challenges in atomistic simulations of glasses for biomedical applications
Antonio Tilocca
DOI: 10.1039/C3CP54913E, Perspective

In situ X-ray powder diffraction studies of hydrogen storage and release in the Li–N–H system
Joshua W. Makepeace, Martin O. Jones, Samantha K. Callear, Peter P. Edwards and William I. F. David
DOI: 10.1039/C4CP00087K, Paper

Lipid charge regulation of non-specific biological ion channels
Vicente M. Aguilella, Carmina Verdiá-Báguena and Antonio Alcaraz
DOI: 10.1039/C3CP54690J, Perspective

Ultrafast polyene dynamics: the ring opening of 1,3-cyclohexadiene derivatives
Brenden C. Arruda and Roseanne J. Sension
DOI: 10.1039/C3CP54767A, Perspective