Recent HOT PCCP articles

Check out the following HOT articles, these have all been made free to access for a limited time:

Butterfly effects: novel functional materials inspired from the wings scalesButterfly effects: novel functional materials inspired from the wings scales
Wang Zhang, Jiajun Gu, Qinglei Liu, Huilan Su, Tongxiang Fan and Di Zhang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01513D

Fast single-molecule FRET spectroscopy: theory and experiment
Hoi Sung Chung and Irina V. Gopich
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02489C

A unified study for water adsorption on metals: meaningful models from structural motifs
Guillem Revilla-López and Núria López
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02508C

Interaction of electrons with cisplatin and the subsequent effect on DNA damage: a density functional theory study
Hsing-Yin Chen, Hui-Fen Chen, Chai-Lin Kao, Po-Yu Yang and Sodio C. N. Hsu
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02306DCompeting atmospheric reactions of CH2OO with SO2 and water vapour

Competing atmospheric reactions of CH2OO with SO2 and water vapour
Torsten Berndt, Jens Voigtländer, Frank Stratmann, Heikki Junninen, Roy L. Mauldin III, Mikko Sipilä, Markku Kulmala and Hartmut Herrmann
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02345E

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Perception, Inspiration, Application: The Effects of Butterflies’ Wings

Written by Victoria Parkes, Guest web writer based at the University of Nottingham

I like picking out Perspective articles to focus on in these blog posts. They give me a chance to read about a field that I know less about, phrased in language that is accessible to those of us who aren’t specialists in that particular area. This then allows me to easily pick out the major themes and hopefully inspire others to follow me in reading a welcoming overview of a different research field. However, even in the spirit of broadening my horizons I wasn’t expecting butterfly wings in PCCP! It stuck out so obviously that I immediately knew I had found the next article I wanted to feature.

How many physical chemists or chemical physicists have extensive lepidopteral knowledge? I’m willing to bet it’s only a handful. In this perspective article, Zhang and co-authors tell the story of how we’re making use of the structural secrets of butterfly wings that have been revealed by previous research.

The study of the structure of butterfly wings is nothing new, its been going on for centuries. Yet it’s only recently that we’ve been able to apply that knowledge and develop new concepts and technologies as structural characterisation has reached the nanoscale. You might be surprised by the diversity of the research areas and applications that are mentioned, I certainly was!

Read the full article online here:

W. Zhang et al., Phys. Chem. Chem. Phys, 2014, DOI: 10.1039/C4CP01513D

Graphical abstract

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PCCP Impact Factor rises to 4.19

We are delighted to announce that PCCP’s Impact Factor* has increased to 4.19.pccp cover

PCCP has a large and truly international readership, which spans many communities in the broad fields of physical chemistry, chemical physics and biophysical chemistry.

With fast publication times and great author service, PCCP remains the ideal home for high-quality research.

We thank all of our authors, referees and Board members for their continued support of the journal.

We invite you to submit your next high-quality paper to PCCP.

Read more about the 2013 Impact Factors from across RSC Publishing on the RSC Publishing Blog.

*The Impact Factor provides an indication of the average number of citations per paper. Produced annually, Impact Factors are calculated by dividing the number of citations in a year by the number of citeable articles published in the preceding two years. Data based on 2013 Journal Citation Reports®, (Thomson Reuters, 2014).

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Recent HOT PCCP articles

Check out the following HOT articles, these have all been made free to access for a limited time:

The optical phonon spectrum of CdSe colloidal quantum dotsThe optical phonon spectrum of CdSe colloidal quantum dots
Mark J. Fernée, Chiara Sinito, Paul Mulvaney, Philippe Tamarat and Brahim Lounis
Phys. Chem. Chem. Phys., 2014,16, 16957-16961
DOI: 10.1039/C4CP02022G

The effect of a detonation nanodiamond coating on the thermal decomposition properties of RDX explosives
Yi Tong, Rui Liu and Tonglai Zhang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02237H

Small things make a big difference: binder effects on the performance of Li and Na batteries
Shu-Lei Chou, Yuede Pan, Jia-Zhao Wang, Hua-Kun Liu and Shi-Xue Dou
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02475C

Pursuit of quantum monodromy in the far-infrared and mid-infrared spectra of NCNCS using synchrotron radiation
Manfred Winnewisser, Brenda P. Winnewisser, Frank C. De Lucia, Dennis W. Tokaryk, Stephen C. Ross and Brant E. Billinghurst
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01443J

Investigation of continuous changes in the electric-field-induced electronic state in Bi1−xCaxFeO3−δInvestigation of continuous changes in the electric-field-induced electronic state in Bi1−xCaxFeO3−δ
Atsushi Ikeda-Ohno, Ji Soo Lim, Takuo Ohkochi, Chan-Ho Yang and Jan Seidel
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02170C

Development of high-performance printed organic field-effect transistors and integrated circuits
Yong Xu, Chuan Liu, Dongyoon Khim and Yong-Young Noh
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02413C

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Diamonds are an explosive’s best friend – PCCP aritcle in Chemistry World

Rachel Wood writes about a PCCP article in Chemistry World

Scientists from China have coated the high energy explosive RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) with nanodiamonds in an attempt to make safer explosives.

The group, led by Yi Tong, from the Beijing Institute of Technology, prepared detonation nanodiamonds by detonating a mixture of TNT and RDX in a closed metallic chamber. Detonation nanodiamonds are known to have excellent Diamonds are an explosive’s best friend - © Shutterstockmechanical properties, including high thermal conductivity and electrical resistivity, whilst being chemically reactive but also environmentally benign. RDX was coated with different proportions of nanodiamonds to try to stabilise the explosive. This is important as you don’t want explosives to detonate if they are accidently heated when in storage.

By studying the thermodynamics of the resulting composites, the group found that nanodiamond coatings of between 1/7 and 1/5 of the mass of the RDX led to composites that were more stable than RDX alone, but that were more reactive than composites with thinner coatings. They also found that increasing the nanodiamond ratio to more than 1/3 of the mass of the RDX hindered the decomposition of the material.

Interested to know more?

Read the full article by Rachel Wood in Chemistry World here…

Read the article in PCCP:

The effect of a detonation nanodiamond coating on the thermal decomposition properties of RDX explosives
Yi Tong, Rui Liu and Tonglai Zhang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02237H

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Recent HOT PCCP articles

Please check out the following HOT PCCP articles, these have been made free to access for a limited time:

Charge generation in polymer–fullerene bulk-heterojunction solar cellsCharge generation in polymer–fullerene bulk-heterojunction solar cells
Feng Gao and Olle Inganäs  
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01814A

Is HO3 multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion
A. J. C. Varandas  
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01757A

Strong enhancement of parity violation effects in chiral uranium compounds
Michael Wormit, Małgorzata Olejniczak, Anna-Lena Deppenmeier, Anastasia Borschevsky, Trond Saue and Peter Schwerdtfeger
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01904K

Improving the photocatalytic activity and anti-photocorrosion of semiconductor ZnO by coupling with versatile carbonOn the origin of ionicity in ionic liquids. Ion pairing versus charge transfer
Chuang Han, Min-Quan Yang, Bo Weng and Yi-Jun Xu  
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02189D

On the origin of ionicity in ionic liquids. Ion pairing versus charge transfer
Oldamur Hollóczki, Friedrich Malberg, Tom Welton and Barbara Kirchner  
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01177E

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Density Functional Theory and its applications – themed collection online now!

PCCP is delighted to present its latest themed collection covering recent developments in Density Functional Theory with a balance between theory and applications. The issue was guest edited by David Tozer (Durham University, UK) and Michael Peach (Lancaster University, UK) and was published in conjunction with the 15th International Conference on Density Functional Theory and its Applications (DFT2013) that took place at Durham University, UK, from 9–13 September 2013.

The outside front cover features Dye Chemistry with time-dependent density functional theory, a perspective article from Adèle Laurent, Carlo Adamo and Denis Jacquemin.

Check out the themed issue online which contains an excellent range of Papers and Communications in addition to the following Perspective articles:

One-electron self-interaction and the asymptotics of the Kohn–Sham potential: an impaired relation
Tobias Schmidt, Eli Kraisler, Leeor Kronik and Stephan Kümmel
Perspective, DOI: 10.1039/C3CP55433C

Density functional tight binding: values of semi-empirical methods in an ab initio era
Qiang Cui and Marcus Elstner
Perspective, DOI: 10.1039/C4CP00908H

The derivative discontinuity of the exchange–correlation functional
Paula Mori-Sánchez and Aron J. Cohen
Perspective, DOI: 10.1039/C4CP01170H

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Recent HOT PCCP articles

Check out the following HOT PCCP articles, they have all been made free to access for a limited time:Quantitative measurement and mechanisms for CH4 production from hydrates with the injection of liquid CO2

Quantitative measurement and mechanisms for CH4 production from hydrates with the injection of liquid CO2
Bo Ram Lee, Carolyn A. Koh and Amadeu K. Sum  
Phys. Chem. Chem. Phys., 2014,16, 14922-14927
DOI: 10.1039/C4CP01780C

Novel high-efficiency crystalline-silicon-based compound heterojunction solar cells: HCT (heterojunction with compound thin-layer)
Yiming Liu, Yun Sun, Wei Liu and Jianghong Yao
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00668B

CdS nanorod arrays with TiO2 nano-coating for improved photostability and photocatalytic activity
Liangpeng Wu, Yulan Zhang, Xinjun Li and Chaoping Cen  
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01347F

Are hot charge transfer states the primary cause of efficient free-charge generation in polymer:fullerene organic photovoltaic devices? A kinetic Monte Carlo studyAre hot charge transfer states the primary cause of efficient free-charge generation in polymer:fullerene organic photovoltaic devices? A kinetic Monte Carlo study
Matthew L. Jones, Reesha Dyer, Nigel Clarke and Chris Groves
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01626B

Analysis of parahydrogen polarized spin system in low magnetic fields
P. Türschmann, J. Colell, T. Theis, B. Blümich and S. Appelt  
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01807A

Bimetallic alloys in action: dynamic atomistic motifs for electrochemistry and catalysis
Jonathan E. Mueller, Petr Krtil, Ludwig A. Kibler and Timo Jacob  
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01591F

Critical adsorption of polyelectrolytes onto charged Janus nanospheresMolecular collisions coming into focus
Sidney J. de Carvalho, Ralf Metzler and Andrey G. Cherstvy
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02207F

Molecular collisions coming into focus
Jolijn Onvlee, Sjoerd N. Vogels, Alexander von Zastrow, David H. Parker and Sebastiaan Y. T. van de Meerakker
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01519C

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What’s really going on in the C60 anion? The answer will probably surprise you.

I know I’ve highlighted articles on fullerenes before in this blog, and although I try not to repeat myself too often, the ever evolving story of C60 is a topic too interesting to stay away from. This time around I’ve been learning about the extra special properties of anionic C60, as recently described by Klaimen and co-authors.

One of the most exciting things about the C60 anion is that it has electronically bound excited states, a property not shared by less exciting molecules of similar electron affinity. In this paper, the authors delve into the all-important, but hitherto unanswered, question of why it is that these excited states are able to exist. In order to do so, they turn to high level theory, which allows them to consider the full electron densities of both the anion and the neutral molecule in order to gain their new insight.

The conclusion the authors reach is simultaneously important, neat and potentially liable to cause controversy. If that prospect piques your interest, then I suggest you go and read the article to find out all the details, as they’re best read in the authors’ own words.

By Victoria Parkes, Guest web writer based at the University of Nottingham

Read the full article in PCCP here: All for one and one for all: accommodating an extra electron in C60

Shachar Klaiman, Evgeniy V. Gromov and Lorenz S. Cederbaum

Phys. Chem. Chem. Phys., 2014, 16, 13287–13293

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Poster Prizes at Bunsentagung 2014

PCCP was delighted to award poster prizes at the Bunsentagung 2014, which took place on 29–31 May at the University of Hamburg.

A total of eight poster prizes were awarded to the following recipients:Prize winners

  • Alexander Riss (University of California Berkeley)
  • Marina Schenk (Bielefeld University)
  • Mona Calik (University of Munich)
  • Maria Wuithschick (Humboldt University of Berlin)
  • Christian Heine (Fritz Haber Institute of the MPG)
  • Denis Czurlok (University of Bonn)
  • Sascha Schäfer (University of Göttingen)
  • Johannes Lang (University of Kaiserslautern)

A further 10 winners were also awarded with the PCCPHot Topics’ Prize: Janika Lauth (University of Hamburg), Wei Liu (Dresden University of Technology), Michael Senske (Ruhr University Bochum), Benjamin Sperlich (Dortmund University), Uta Stange (University of Kiel), Helen Preiß (University of Göttingen), Jan Goritzka (University of Bremen), Simon Merz (Radboud University Nijmegen), Manuel Tsotsalas (Karlsruhe Institute of Technology) and Roland Frach (TU Dortmund).

Congratulations to the recipients of all the prizes!

Keep up to date with the latest PCCP articles and news: sign up to receive our free table of contents e-alerts and follow us on twitter.

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