Archive for October, 2012

Professor Anne Zehnacker on a PCCP paper she recently enjoyed

Photograph of Prof. Anne Zehnacker-RentienWhen asked about her favourite recent article in PCCP, Advisory Board member Professor Anne Zehnacker-Rentien of the Institut des Sciences Moléculaires d’Orsay chose “Effect of hydrogen-bonding on the excited-state reactivity of fullerene derivatives and its impact on the control of the emission polarisation from photopolic single crystals” by Guillaume Raffy, Debdas Ray, Cheng-Che Chu, André Del Guerzo and Dario M. Bassani.

She says “I really enjoyed reading the paper. Photopolic materials are objects whose emission polarisation can be controlled using light. This article gives an elegant example of such fullerene-built single crystals, in which the photo-induced switch of polarisation is not accompanied by any other change in the fluorescence properties.”

The article is part of the PCCP themed issue on Hydrogen bonding in electronically excited states, so if you enjoyed this article please do take a look a the rest!

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Nuclear spin Hall and Klein tunnelling effects during oxidation of graphene

US scientists have studied spin Hall and Klein tunnelling effects during oxidation of graphene and few-layer graphene. Previous studies had suggested that the reductive properties of graphene change depending on the external magnetic field, with explosive redox reactions between graphene and strong oxidants accelerating following temperature reduction from 22 to 16 °C.

A typical way to oxidise graphene to oxide is to use a mixture of sulfuric acid, NaNO3 and KMnO4 (Hummers method). The Na+ and K+ ions of KMnO4 /NaNO3 have until now been assumed not to influence the redox reactions involved. This work shows that changing the cations has a big effect: replacing Na+ and K+ with Mg2+ and Ca2+, the team observed faster, more electronically delocalised complete oxidation to CO2 at temperatures between 16 and 21 °C. With Na+ and K+, they saw faster, more electronically localised oxidation to CO at temperatures >22 °C. These observations are attributed to the spin Hall effect (SHE) for the Na+ and K+ ions and Klein tunnelling effect for the Mg2+ and Ca2+ ions.

The observations will be very helpful in aiding understanding of the correlation between the structure and the properties of layered materials, such as graphene and boron nitride. The observed SHE gives an explanation of recently reported tunnelling of graphene electrons through boron nitride.

Read the full details of this fascinating PCCP article today:

Nuclear spin Hall and Klein tunneling effects during oxidation with electric and magnetic field inductions in graphene
Reginald B. Little, Felicia McClary, Bria Rice, Corine Jackman and James W. Mitchell
DOI: 10.1039/C2CP43276E

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Top ten most accessed PCCP articles in September

This month sees the following articles in Physical Chemistry Chemical Physics that are in the top ten most accessed for September :

Vibrationally assisted electron transfer mechanism of olfaction: myth or reality? 
Ilia A. Solov’yov ,  Po-Yao Chang and Klaus Schulten 
Phys. Chem. Chem. Phys., 2012, 14, 13861-13871 
DOI: 10.1039/c2cp41436h 

Lithium oxides precipitation in nonaqueous Li–air batteries 
Junbo Hou ,  Min Yang ,  Michael W. Ellis ,  Robert B. Moore and Baolian Yi  
Phys. Chem. Chem. Phys., 2012, 14, 13487-13501 
DOI: 10.1039/c2cp42768k 

Electron transfer theory and its inception

Rudolph A. Marcus  
Phys. Chem. Chem. Phys., 2012, 14, 13729-13730 
DOI: 10.1039/c2cp90116a 

Graphene on metallic surfaces: problems and perspectives 
Elena Voloshina and Yuriy Dedkov  
Phys. Chem. Chem. Phys., 2012, 14, 13502-13514 
DOI: 10.1039/c2cp42171b 

High-efficiency cascade CdS/CdSe quantum dot-sensitized solar cells based on hierarchical tetrapod-like ZnO nanoparticles 
Hsin-Ming Cheng ,  Kuo-Yen Huang ,  Kun-Mu Lee ,  Pyng Yu ,  Shih-Chin Lin ,  Jin-Hua Huang ,  Chun-Guey Wu and Jau Tang  
Phys. Chem. Chem. Phys., 2012, 14, 13539-13548 
DOI: 10.1039/c2cp41760j 

Cu2ZnSnS4 (CZTS) nanoparticle based nontoxic and earth-abundant hybrid pn-junction solar cells
 
Sudip K. Saha ,  Asim Guchhait and Amlan J. Pal  
Phys. Chem. Chem. Phys., 2012, 14, 8090-8096 
DOI: 10.1039/c2cp41062a 

Conductive metal–organic frameworks and networks: fact or fantasy? 
Christopher H. Hendon ,  Davide Tiana and Aron Walsh  
Phys. Chem. Chem. Phys., 2012, 14, 13120-13132 
DOI: 10.1039/c2cp41099k 

Adsorption of DNA onto gold nanoparticles and graphene oxide: surface science and applications 
Juewen Liu  
Phys. Chem. Chem. Phys., 2012, 14, 10485-10496 
DOI: 10.1039/c2cp41186e 

Density functional theory for transition metals and transition metal chemistry 
Christopher J. Cramer and Donald G. Truhlar  
Phys. Chem. Chem. Phys., 2009, 11, 10757-10816 
DOI: 10.1039/b907148b 

Titania supported gold nanoparticles as photocatalyst 
Ana Primo ,  Avelino Corma and Hermenegildo García  
Phys. Chem. Chem. Phys., 2011, 13, 886-910 
DOI: 10.1039/c0cp00917b 

Why not take a look at the articles today and blog your thoughts and comments below.

Fancy submitting an article to PCCP? Then why not submit to us today!

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Predicting New Molecules by Quantum Chemical Methods themed issue out now!

We are delighted to announce that the PCCP themed issue – Predicting New Molecules by Quantum Chemical Methods has now been published online – take a look today!

The themed issue was Guest Edited by Gabriel Merino (Unidad Merida) and Thomas Heine (Jacobs University).

The Predicting New Molecules by Quantum Chemical Methods themed issue features a broad range of perspective and papers and includes the following Hot articles:

Take a look at the issue today!

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HOT Perspective: hot spots in SERS

In this HOT PCCP Perspective Prof. Richard Van Duyne and coworkers describe the contribution of hot spots to the enhancement of signals observed in surface enhanced Raman spectroscopy (SERS), including techniques for creating and controlling these hot spots.

Read this fascinating PCCP Perspective in full today:

Creating, characterizing, and controlling chemistry with SERS hot spots
Samuel L. Kleinman, Renee R. Frontiera, Anne-Isabelle Henry, Jon A. Dieringer and Richard P. Van Duyne
DOI: 10.1039/C2CP42598J

Professor Van Duyne is co-Guest Editor of our upcoming themed issue on Plasmonics and Spectroscopy.

Submit an article for this exciting issue by 1st November 2012 .

Table of contents image

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Organic electronics – new physical chemistry insight themed collection out now!

We are delighted to announce that the PCCP themed collection on Organic electronics – new physical chemistry insight has now been published online – take a look today!

CP014041_ofcThe themed issue was Guest Edited by Wenping Hu, Yu-Tai Tao and Henning Sirringhaus – read their Editorial for this issue.

The Organic electronics – new physical chemistry insight themed collection features a broad range of papers and Communications and includes:

Take a look at the issue today!

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Electron Transfer Theory themed issue out now!

We are delighted to announce that the PCCP themed issue on Electron Transfer Theory has now been published online – take a look today!

CP014040_ofc

The themed issue was Guest Edited by David N. Beratan (Duke University) and José Onuchic (UCSD), and features an editorial commentary by Nobel Laureate and father of the field, Rudy Marcus.

The Electron Transfer Theory themed issue features a broad range of papers and Communications and includes the following Perspective articles:

Take a look at the issue today!

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PCCP Asian Symposia: final leg Seoul

Photograph of KCS-PCCP celebration cake

The beautiful cake to celebrate the Korean Chemical Society becoming the 18th Owner Society of PCCP.

The final leg of the PCCP Asian Symposia series took place in Seoul Korea yesterday.

A large audience listened to the excellent scientific talks including on graphene by Professor Byung Hee Hong, on the excited-state dynamics porphyrins and other large molceules probed by single molecule spectroscopy by Professor Dongho Kim, and on very high power energy storage by Professor Sang Bok Lee.

A talk by Professor Zee Hwan Kim of Korea University on “Plasmonics for single-molecule photochemistry and optical nanoscopy” generated much discussion.

The symposium also included a special cake cutting ceremony to celebrate that Korean Chemical Society becoming PCCP‘s 18th Owner Society. This means that now every time a Korean author publishes in PCCP, the KCS will receive a financial sum.

You can find more details about the other symposia in Beijing, China and Tsukuba, Japan in our previous posts. Thank you to everyone who took part in these excellent events.

We look forward to receiving you future contributions to PCCP – submit your best work today.

Keep up to date with our latest news and published articles by signing up to receive our free e-alerts.

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PCCP Editor’s choice: Professor Carlos Otero Arean

PCCP journal cover imagePhysical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Carlos Otero Arean (University of the Balearic Islands), has picked his favourite articles recently published in PCCP.

You can read these articles for free for a limited period by clicking on the links below.

Publishing work of the highest quality in the broad fields of physical chemistry, chemical physics and biophysical chemistry, PCCP is the ideal place to publish your research.

Be among the first to hear about the newest articles being published in PCCP – sign up to receive our free table of contents e-alerts.

On behalf of the Editorial Board we invite you to submit your best work to PCCP.

Read Professor Arean’s Editor’s choice selection today:

Perspectives

Ultrafast UV spectroscopy: from a local to a global view of dynamical processes in macromolecules
Andrea Cannizzo
DOI: 10.1039/C2CP40567A

Adsorption of DNA onto gold nanoparticles and graphene oxide: surface science and applications
Juewen Liu
DOI: 10.1039/C2CP41186E

Original research

Rapid calculation of protein chemical shifts using bond polarization theory and its application to protein structure refinement
Igor Jakovkin, Marco Klipfel, Claudia Muhle-Goll, Anne S. Ulrich, Burkhard Luy and Ulrich Sternberg
DOI: 10.1039/C2CP41726J

Theoretical studies of HIV-1 reverse transcriptase inhibition
Katarzyna Świderek, Sergio Martí and Vicent Moliner
DOI: 10.1039/C2CP40953D

Pore size distribution and capacitance in microporous carbons
Fritz Stoeckli and Teresa A. Centeno
DOI: 10.1039/C2CP41545C

Thin silica films on Ru(0001): monolayer, bilayer and three-dimensional networks of [SiO4] tetrahedra
Bing Yang, William E. Kaden, Xin Yu, Jorge Anibal Boscoboinik, Yulia Martynova, Leonid Lichtenstein, Markus Heyde, Martin Sterrer, Radosław Włodarczyk, Marek Sierka, Joachim Sauer, Shamil Shaikhutdinov and Hans-Joachim Freund
DOI: 10.1039/C2CP41355H

Cooperative effects at water–crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study
Federico Musso, Pierre Mignon, Piero Ugliengo and Mariona Sodupe
DOI: 10.1039/C2CP40756F

Enhanced stabilization of the Tobacco mosaic virus using protic ionic liquids
Nolene Byrne, Brendan Rodoni, Fiona Constable, Swapna Varghese and James H. Davis
DOI: 10.1039/C2CP41625E

You may also be interested in our PCCP web collection of articles on biophysics and biophysical chemistry and our recent themed issue on the theoretical chemical physics of biological systems – please take a look.

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PCCP Asian Symposia – part two Tsukuba

Speakers and delegates at the PCCP-MANA Symposium

Speakers and delegates enjoying the sun at the PCCP-MANA Symposium

Speakers and delegates alike enjoyed a successful second leg of the PCCP Asian Symposia series on Nanotechnology, Materials and Physical Chemistry in Tsukuba, Japan. The meeting was held in conjunction with the International Centre for Materials Nanoarchitectonics (MANA).

The stimulating talks by speakers, both international and local, provoked lots of discussion. PCCP prize winner Kazuhiko Maeda (Tokyo Institute of Technology) took the opportunity to talk about his work on “Solar water splitting by modified oxynitride photocatalysts”.

The final leg of the symposia series will be in Seoul, Korea on Thursday 4th October. Please do join us if you can at Mogam Hall, Building 500, Seoul National University. Check out the PCCP-KCS Symposium schedulefor more information on this exciting meeting.

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