Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Recently Published Issues
July 15, 2014
ChemPhysChem 10/2014: Special issue on electrochemical energy conversion and storage
Issue 10 is a special issue on electrochemical energy conversion and storage. It has been guest edited by H. Baltruschat, K. Rajeshwar, and Y.-K. Sun and includes 27 invited contributions in this interesting field. In a Review, N. Dupré and colleagues study the interphase evolution at two promising electrode materials for Li-ion batteries. The Minireview by L. M. Peter and K. G. Upul Wijayantha summarizes the fundamental problems and new perspectives of photoelectrochemical water splitting at semiconductor electrodes. In the Articles section, W. Schmickler et al. combine DFT and molecular dynamics to study the electrochemical adsorption of OH on Pt in alkaline solutions while S. Komaba and co-workers report on a new enzyme-based anode for biofuel cells. Finally, in the Communications section, J. M. Feliu et al. describe the synthesis and electrocatalytic properties of Pt nanoparticles prepared in a water-in-oil microemulsion.
Recently Published Articles
- From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation
Michal Trachta, Dr. Ota Bludský, Prof. Jiří Čejka, Prof. Russell E. Morris and Prof. Petr Nachtigall
Article first published online: 22 JUL 2014 | DOI: 10.1002/cphc.201402358
New zeolite structures: Topological analysis shows that 20 new zeolite structures can be obtained by the ADOR (assembly–disassembly–organization–reassembly) procedure. Structural and thermodynamic data at the density functional level of theory for these new zeolites are provided. The reported results should serve as useful hints in the experimental quest for new zeolite structures.
- The Diverse Manifold of Electronic States Generated by a Single Carbon Defect in a Graphene Sheet: Multireference Calculations Using a Pyrene Defect Model
Prof. Francisco B. C. Machado, Prof. Adélia J. A. Aquino and Prof. Hans Lischka
Article first published online: 18 JUL 2014 | DOI: 10.1002/cphc.201402304
Many worlds: Ab initio calculations show that the removal of a single carbon atom from a graphene sheet leads to a manifold of electronic states. The picture shows the evolution of the unpaired density due to the reconstruction from an unrelaxed to a relaxed structure in a pyrene single-carbon defect model.
- Time-Resolved, In Situ DRIFTS/EDE/MS Studies on Alumina-Supported Rhodium Catalysts: Effects of Ceriation and Zirconiation on Rhodium–CO Interactions
Dr. Anna B. Kroner, Dr. Mark A. Newton, Prof. Dr. Moniek Tromp, Dr. Otello M. Roscioni, Prof. Andrea E. Russell, Prof. Andrew J. Dent, Dr. Carmelo Prestipino and Prof. John Evans
Article first published online: 18 JUL 2014 | DOI: 10.1002/cphc.201402122
Protect the particles! The deposition of zirconia and ceria onto rhodium/alumina by controlled surface modification reactions retards the corrosive chemisorption of the metal by CO-extruding RhI(CO)2 centers (see picture). For ceria, coordination of cerium to bridging CO on rhodium particles is indicated.
- Gas-Phase Interactions between Lead(II) Ions and Cytosine: Tandem Mass Spectrometry and Infrared Multiple-Photon Dissociation Spectroscopy Study
Dr. Jean-Yves Salpin, Violette Haldys, Dr. Sébastien Guillaumont, Prof. Jeanine Tortajada, Marcela Hurtado and Prof. Al Mokhtar Lamsabhi
Article first published online: 18 JUL 2014 | DOI: 10.1002/cphc.201402369
Playing nice: Gas-phase interactions between Pb2+ and cytosine (C) are studied by combining tandem mass spectrometry, infrared multiple-photon dissociation spectroscopy, and density functional theory. The [Pb(C)−H]+ complex is extensively studied and two structures, involving the interaction of the metal with the deprotonated canonical keto-amino tautomer of cytosine, are generated.
- Effect of the Cationic Surfactant Moiety on the Structure of Water Entrapped in Two Catanionic Reverse Micelles Created from Ionic Liquid-Like Surfactants
Cristian C. Villa, Prof. Juana J. Silber, Prof. N. Mariano Correa and Dr. R. Darío Falcone
Article first published online: 18 JUL 2014 | DOI: 10.1002/cphc.201402307
Inside out: The effects of the cationic surfactant moiety on the structure of water entrapped in two catanionic reverse micelles has been explored by using dynamic and static light scattering, FTIR, and 1H NMR spectroscopy techniques (see figure; AOT-BHD=benzyl-n-hexadecyldimethylammonium 1,4-bis-2-ethylhexylsulfosuccinate, AOT-CTA=cetyltrimethylammonium 1,4-bis-2-ethylhexylsulfosuccinate).