Cover image for Vol. 15 Issue 12

Editor: Greta Heydenrych; Editorial Board Chairs: Christian Amatore, Michael Grätzel, Michel Orrit

Online ISSN: 1439-7641

Associated Title(s): Advanced Materials, ChemBioChem, ChemCatChem, ChemElectroChem, ChemSusChem, Small

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July 15, 2014

ChemPhysChem 10/2014: Special issue on electrochemical energy conversion and storage

ChemPhysChem 10/2014: Special issue on electrochemical energy conversion and storageIssue 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.

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Recently Published Articles

  1. 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

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    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.

  2. 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

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    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.

  3. Energetics of Spinels in the Fe[BOND]Ti[BOND]O 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

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    To nano or not to nano? Assessment of the mixing thermodynamics and the effect of the particle size on Fe[BOND]Ti 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.

  4. 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

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    The heteronuclear dimetallofullerene (U[BOND]Gd)@C60 has a surprising twofold single-electron U[BOND]Gd bond that results from the strong nanoconfinement of the fullerene, dominated by uranium′s 5f and 6d and gadolinium′s 5d atomic orbitals.

  5. 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

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    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.