Archive for April, 2013

Adsorption mode assignment in dye-sensitized solar cells

Anharmonic vibrations of the carboxyl group in acetic acid on TiO2: implications for adsorption mode assignment in dye-sensitized solar cellsSergei Manzhos and co-authors have calculated the anharmonic vibrations of the carboxyl group adsorbed on an anatase TiO2 surface in acetic acid. This is the first time vibrational spectra for different adsorption sites of an organic molecule have been computed and compared without neglecting anharmonicity and coupling of the attaching group. Their results are very valuable for the development of dye-sensitized solar cells because they identify the mode of adsorption of the  dye on the semiconductor surface.

Read this HOT article today:

Anharmonic vibrations of the carboxyl group in acetic acid on TiO2: implications for adsorption mode assignment in dye-sensitized solar cells
Matthew Chan, Tucker Carrington and Sergei Manzhos
DOI: 10.1039/C3CP00065F

This article will be included in our upcoming themed issue on spectroscopy and dynamics of medium-sized molecules and clusters: theory, experiment and applications.

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2013 PCCP – Chemical Society of Japan Prizes

A prize ceremony was held at the 93rd Annual Meeting of the Chemical Society of Japan for the winners of the 2013 PCCP Prizes for Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics. The winners each received a commemorative book, a PCCP Prize certificate and a financial award.

PCCP-CSJ prize award ceremony 2013

Top left to top right: Prof. Eiichi Nakamura, Mr Nobuyuki Kawashima (CSJ Secretary General). Bottom left to bottom right: Dr Robert Parker (RSC Chief Executive), Dr Yasuhide Inokuma (Prizewinner), Dr Yusuke Yamauchi (Prizewinner), Dr Yasutomo Segawa (Prizewinner), Prof. Kohei Tamao (CSJ President).

The prizewinners:

  • Dr Yusuke Yamauchi (National Institute for Materials Science (NIMS)) for his work on “Nano-to-Microgram Scale X-ray Crystallography of Non-crystalline Compounds Using Crystalline Sponges”
  • Dr Yasutomo Segawa (Nagoya University) for his research on “Size-selective Synthesis and Optical Properties of Carbon Nanorings”
  • Dr Yasuhide Inokuma (The University of Tokyo) for his work on “Rational Synthesis of Nanoporous Platinum Particles with Multiple Architectures toward Highly Active Electrocatalysts”
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    Halogen bonding and other σ-hole interactions

    Peter Politzer, Jane Murray and Timothy Clark review sigma-hole bonding in their recent PCCP Perspective and its contribution to the understanding of the halogen bond and other non-covalent interactions. They detail the historic background of the concept of sigma-hole bonding from both experimental and theoretical perspectives, and present the most recent theoretical findings on the fascinating  character of this class of molecular interactions.

    Read this Perspective today:

    Halogen bonding and other σ-hole interactions: a perspective
    Peter Politzer, Jane S. Murray and Timothy Clark
    DOI: 10.1039/C3CP00054K

    Halogen bonding and other σ-hole interactions

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