Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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
- A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a
Prof. Vincenzo Barone, Dr. Malgorzata Biczysko, Monika Borkowska-Panek and Dr. Julien Bloino
Article first published online: 2 SEP 2014 | DOI: 10.1002/cphc.201402300
Your virtual guide: A virtual multifrequency spectrometer allows the simulation of realistic electronic spectral line shapes for chlorophyll a in methanol, including solvent (PCM), vibronic and MgII-coordination effects, and can be easily applied to other biochemical and organic systems.
- The Lineshape of the Electronic Spectrum of the Green Fluorescent Protein Chromophore, Part I: Gas Phase
Dr. Mehdi D. Davari, Dr. Francisco J. Avila Ferrer, Dr. Dmitry Morozov, Dr. Fabrizio Santoro and Dr. Gerrit Groenhof
Article first published online: 1 SEP 2014 | DOI: 10.1002/cphc.201402355
Lineshape of electronic spectra of GFP chromophore: Vibrationally resolved absorption spectra are computed for the isolated chromophore of green fluorescent protein at various levels of ab inito and density functional theory calculations.
- Energetics of Spinels in the FeTiO System at the Nanoscale
Dr. Kristina I. Lilova, Dr. Carolyn I. Pearce, Dr. Kevin M. Rosso and Prof. Alexandra Navrotsky
Article first published online: 1 SEP 2014 | DOI: 10.1002/cphc.201402441
To nano or not to nano? Assessment of the mixing thermodynamics and the effect of the particle size on FeTi spinel oxides leads to an intriguing conclusion about the heats of mixing on both macro and nanoscale. The energetics of the nanosized spinel oxides turn out to be predictable based only on knowledge of their macroscale energetics and surface energies, which are consistent regardless of composition. The findings have important implications for designing nanoscale spinel oxides with desirable properties.
- De Novo Design of an Endohedral Heteronuclear Dimetallofullerene (U-Gd)@C60 with Exceptional Structural and Electronic Properties
Xing Dai, Jie Han, Yang Gao and Prof. Zhigang Wang
Article first published online: 1 SEP 2014 | DOI: 10.1002/cphc.201402316
The heteronuclear dimetallofullerene (UGd)@C60 has a surprising twofold single-electron UGd bond that results from the strong nanoconfinement of the fullerene, dominated by uranium′s 5f and 6d and gadolinium′s 5d atomic orbitals.
- Carotenoids as a Shortcut for Chlorophyll Soret-to-Q Band Energy Flow
Dr. Jan P. Götze, Dr. Dominik Kröner, Shiladitya Banerjee, Bora Karasulu and Prof. Dr. Walter Thiel
Article first published online: 1 SEP 2014 | DOI: 10.1002/cphc.201402233
A proposal for carotenoid function: Quantum-chemical calculations indicate that xanthophylls may provide a depletion pathway for the Soret excitation energy of chlorophyll, which can then flow back to the chlorophyll Q band. Xanthophylls and, more generally, carotenoids seem to be capable of mediating and tuning this process.