Cover image for Vol. 18 Issue 22

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

Impact Factor: 3.075

ISI Journal Citation Reports © Ranking: 2016: 8/36 (Physics Atomic Molecular & Chemical); 55/146 (Chemistry Physical)

Online ISSN: 1439-7641

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

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Recently Published Articles

  1. Shortfall of B3LYP in Reproducing NMR JCH Couplings in Some Isomeric Epoxy Structures with Strong Stereoelectronic Effects: A Benchmark Study of DFT Functionals

    Ryszard B. NAZARSKI, Jasper Adamson, Jüri Jarvet, Tõnis Pehk Pehk and Riina Aav

    Accepted manuscript online: 23 NOV 2017 08:50AM EST | DOI: 10.1002/cphc.201701125

  2. Validation of X-ray Wavefunction Refinement

    Dr. Magdalena Woińska, Prof. Dylan Jayatilaka, PD Dr. Birger Dittrich, Dr. Ralf Flaig, Prof. Dr. Peter Luger, Prof. Krzysztof Woźniak, Dr. Paulina M. Dominiak and Prof. Dr. Simon Grabowsky

    Version of Record online: 23 NOV 2017 | DOI: 10.1002/cphc.201700810

    Thumbnail image of graphical abstract

    Quantum crystallography: In X-ray wavefunction refinement (XWR), crystallographic data are enhanced with quantum mechanical data, and subsequently the quantum mechanical data are enhanced with the measured structure factors. XWR is validated against benchmark experimental and theoretical methods, and provides both accurate structural and electronic properties of molecules.

  3. Lithiation Behavior of Silicon Nanowire Anodes for Lithium-Ion Batteries: Impact of Functionalization and Porosity

    Marcus Schmerling, Dr. Daniela Fenske, Fabian Peters, Dr. Julian Schwenzel and Prof. Dr. Matthias Busse

    Version of Record online: 23 NOV 2017 | DOI: 10.1002/cphc.201700892

    Thumbnail image of graphical abstract

    Poring over silicon: Oxide-free porous and nonporous silicon nanowires (SiNW) were synthesized using metal-assisted chemical etching and were functionalized with acrylic acid in order to process them into anodes for lithium-ion batteries. Their electrochemical behavior was examined closely with the analysis of differential capacity plots.

  4. Fast Lithium-Ion Transportation in Crystalline Polymer Electrolytes

    Dr. Xiao-Bin Fu, Prof. Guang Yang, Jin-Ze Wu, Jia-Chen Wang, Prof. Qun Chen and Prof. Ye-Feng Yao

    Version of Record online: 22 NOV 2017 | DOI: 10.1002/cphc.201701092

    Thumbnail image of graphical abstract

    Line up: The conformational sequence of the PEO chains in the crystalline polymer electrolyte CD-PEOn/Li+ (CD=αcyclodextrin, PEO=polyethylene oxide) has been adjusted to the all-trans conformation, resulting in a highly mobile Li+ species inside the tunnels formed by the assembled CDs and in turn the fast Li+ transportation in the materials.