Archive for the ‘Top 10’ Category

Top Ten most-read PCCP articles in October

This month sees the following articles in PCCP that are in the top ten most accessed in October:

Crystal growth simulations of methane hydrates in the presence of silica surfaces
Shuai Liang, Dmitri Rozmanov and Peter G. Kusalik
Phys. Chem. Chem. Phys., 2011, 13, 19856-19864
DOI: 10.1039/c1cp21810g

Supported Ru catalysts prepared by two sonication-assisted methods for preferential oxidation of CO in H2
Nina Perkas, Jaclyn Teo, Shoucang Shen, Zhan Wang, James Highfield, Ziyi Zhong and Aharon Gedanken
Phys. Chem. Chem. Phys., 2011, 13, 15690-15698
DOI: 10.1039/c1cp21870k

Solving the spectroscopic phase: imaging excited wave packets and extracting excited state potentials from fluorescence data
Xuan Li, Cian Menzel-Jones, David Avisar and Moshe Shapiro
Phys. Chem. Chem. Phys., 2010, 12, 15760-15765
DOI: 10.1039/c0cp01417f

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries
Junbo Hou, Yuyan Shao, Michael W. Ellis, Robert B. Moore and Baolian Yi
Phys. Chem. Chem. Phys., 2011, 13, 15384-15402
DOI: 10.1039/c1cp21915d

Graphene and carbon nanotube composite electrodes for supercapacitors with ultra-high energy density
Qian Cheng, Jie Tang, Jun Ma, Han Zhang, Norio Shinya and Lu-Chang Qin
Phys. Chem. Chem. Phys., 2011, 13, 17615-17624
DOI: 10.1039/c1cp21910c

Physics and chemistry of water and ice  – Editorial
Carlos Vega, Jose Luis F. Abascal and Pablo G. Debenedetti
Phys. Chem. Chem. Phys., 2011, 13, 19660-19662
DOI: 10.1039/c1cp90177j

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

Physics and Chemistry of Cold Molecules  – Editorial
Olivier Dulieu, Roman Krems, Matthias Weidemüller and Stefan Willitsch
Phys. Chem. Chem. Phys., 2011, 13, 18703-18704
DOI: 10.1039/c1cp90157e

Layer-by-layer assembly as a versatile bottom-up nanofabrication technique for exploratory research and realistic application
Katsuhiko Ariga, Jonathan P. Hill and Qingmin Ji
Phys. Chem. Chem. Phys., 2007, 9, 2319-2340
DOI: 10.1039/b700410a

Colloidal metal nanoparticles as a component of designed catalyst
Chun-Jiang Jia and Ferdi Schüth
Phys. Chem. Chem. Phys., 2011, 13, 2457-2487
DOI: 10.1039/c0cp02680h

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

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PCCP Most-Read Articles for Q3 2011

Below you can find the Top 25 most-read PCCP articles from Q3 2011.

 

We invite you to submit your research to PCCP today!

Top 25 most-read PCCP articles for Q3

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries
Junbo Hou, Yuyan Shao, Michael W. Ellis, Robert B. Moore and Baolian Yi
DOI: 10.1039/C1CP21915D

Density functional theory for transition metals and transition metal chemistry
Christopher J. Cramer and Donald G. Truhlar
DOI: 10.1039/B907148B

Titania supported gold nanoparticles as photocatalyst
Ana Primo, Avelino Corma and Hermenegildo García
DOI: 10.1039/C0CP00917B

Characterization of nanostructured hybrid and organic solar cells by impedance spectroscopy
Francisco Fabregat-Santiago, Germà Garcia-Belmonte, Iván Mora-Seró and Juan Bisquert
DOI: 10.1039/C0CP02249G

Weak hydrogen bonds – strong effects?
W. A. Herrebout and M. A. Suhm
DOI: 10.1039/C1CP90110A

Recent progress in SERS biosensing
Kyle C. Bantz, Audrey F. Meyer, Nathan J. Wittenberg, Hyungsoon Im, Özge Kurtuluş, Si Hoon Lee, Nathan C. Lindquist, Sang-Hyun Oh and Christy L. Haynes
DOI: 10.1039/C0CP01841D

Carbon materials for supercapacitor application
Elzbieta Frackowiak
DOI: 10.1039/B618139M

Colloidal metal nanoparticles as a component of designed catalyst
Chun-Jiang Jia and Ferdi Schüth
DOI: 10.1039/C0CP02680H

Studying disorder in graphite-based systems by Raman spectroscopy
M. A. Pimenta, G. Dresselhaus, M. S. Dresselhaus, L. G. Cançado, A. Jorio and R. Saito
DOI: 10.1039/B613962K

Layer-by-layer assembly as a versatile bottom-up nanofabrication technique for exploratory research and realistic application
Katsuhiko Ariga, Jonathan P. Hill and Qingmin Ji
DOI: 10.1039/B700410A

Multiple exciton generation in nanocrystal quantum dots – controversy, current status and future prospects
David J. Binks
DOI: 10.1039/C1CP20225A

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
Lars Goerigk and Stefan Grimme
DOI: 10.1039/C0CP02984J

Single-file water in nanopores
Jürgen Köfinger, Gerhard Hummer and Christoph Dellago
DOI: 10.1039/C1CP21086F

Air and water stable ionic liquids in physical chemistry
Frank Endres and Sherif Zein El Abedin
DOI: 10.1039/B600519P

A multifaceted approach to hydrogen storage
Andreas Züttel et al.
DOI: 10.1039/C1CP22312G

“Union is strength”: how weak hydrogen bonds become stronger
Sonia Melandri
DOI: 10.1039/C1CP20824A

The influence of hydrogen bonding on the physical properties of ionic liquids 
Koichi Fumino, Tim Peppel, Monika Geppert-Rybczyńska, Dzmitry H. Zaitsau, Jochen K. Lehmann, Sergey P. Verevkin, Martin Köckerling and Ralf Ludwig
DOI: 10.1039/C1CP20732F

High performance supercapacitors based on highly conductive nitrogen-doped graphene sheets
Yongcai Qiu, Xinfeng Zhang and Shihe Yang
DOI: 10.1039/C1CP21148J

Molecular transport in nanopores: a theoretical perspective
Suresh K. Bhatia, Mauricio Rincon Bonilla and David Nicholson
DOI: 10.1039/C1CP21166H

Hofmeister effects: interplay of hydration, nonelectrostatic potentials, and ion size
Drew F. Parsons, Mathias Boström, Pierandrea Lo Nostro and Barry W. Ninham
DOI: 10.1039/C1CP20538B

The CH/π hydrogen bond in chemistry. Conformation, supramolecules, optical resolution and interactions involving carbohydrates
Motohiro Nishio
DOI: 10.1039/C1CP20404A

Fullerene derivative acceptors for high performance polymer solar cells
Youjun He and Yongfang Li
DOI: 10.1039/C0CP01178A

Graphene and carbon nanotube composite electrodes for supercapacitors with ultra-high energy density
Qian Cheng, Jie Tang, Jun Ma, Han Zhang, Norio Shinya and Lu-Chang Qin
DOI: 10.1039/C1CP21910C

Electrocatalysis of oxygen reduction and small alcohol oxidation in alkaline media
Jacob S. Spendelow and Andrzej Wieckowski
DOI: 10.1039/B703315J

Bimetallic Pt–Au nanocatalysts electrochemically deposited on graphene and their electrocatalytic characteristics towards oxygen reduction and methanol oxidation
Yaojuan Hu, Hua Zhang, Ping Wu, Hui Zhang, Bo Zhou and Chenxin Cai
DOI: 10.1039/C0CP01998D

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Editor’s Choice: Nanoscale Chemistry

Journal coverPhysical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Paul Mulvaney, an expert in the field of nanoscale chemistry, has picked his favourite articles recently published in this area in PCCP.
Read Professor Mulvaney’s Editor’s choice selection, along with his comments on each article, for free today:

A timely review of the rapidly developing field of a nanocrystal self-assembly. This perspective discusses the new techniques emerging and the exciting new materials created. The focus is on thiol derivatized gold particles but will be of interest to anyone interested in nanocrystal assembly:

Functional noble metal nanoparticle superlattices grown at interfaces
Keisaku Kimura and Thalappil Pradeep
DOI: 10.1039/C1CP22279A

A review of electron transfer dynamics of nanoparticle-modified electrodes. This review certainly suggests wet-chemical electronics is coming of age:

Electrochemical charge transfer mediated by metal nanoparticles and quantum dots
Gabriela P. Kissling, David O. Miles and David J. Fermín
DOI: 10.1039/C1CP21996K

An in-depth review of the controversy surrounding the detection and measurement difficulties associated with multi-exciton generation. The article suggests some novel ways forward:

Multiple exciton generation in nanocrystal quantum dots – controversy, current status and future prospects
David J. Binks
DOI: 10.1039/C1CP20225A

An exciting review by leading researchers of the issues involving energy relaxation during NC–NC interactions:

Energetics and dynamics of exciton–exciton interactions in compound colloidal semiconductor quantum dots
Zvicka Deutsch, Assaf Avidan, Iddo Pinkas and Dan Oron
DOI: 10.1039/C0CP02253E

Catalysis is one of the outstanding areas in physical chemistry where empirical breakthroughs lead theory and understanding. This review tries to capture the main trends in the application and design of nano crystals in catalysis. A good read for those who think catalysis can’t be tackled rationally:

Colloidal metal nanoparticles as a component of designed catalyst
Chun-Jiang Jia and Ferdi Schüth
DOI: 10.1039/C0CP02680H

An interesting paper, which finds further evidence for multi-exciton generation in PbS:

Electronic and surface properties of PbS nanoparticles exhibiting efficient multiple exciton generation
Samantha J. O. Hardman, Darren M. Graham, Stuart K. Stubbs, Ben F. Spencer, Elaine A. Seddon, Ho-Ting Fung, Sandra Gardonio, Fausto Sirotti, Mathieu G. Silly, Javeed Akhtar, Paul O’Brien, David J. Binks and Wendy R. Flavell
DOI: 10.1039/C1CP22330E

Freund and colleagues demonstrate size dependent binding of CO to Pd. Given the importance of CO removal as a pollutant, this is a particularly exciting piece of work that also shows systematic understanding of “nanoscale” effects in catalysis is possible:

Adsorption energetics of CO on supported Pd nanoparticles as a function of particle size by single crystal microcalorimetry
J. M. Flores-Camacho, J.-H. Fischer-Wolfarth, M. Peter, C. T. Campbell, S. Schauermann and H.-J. Freund
DOI: 10.1039/C1CP21677E

Cationic surfactants normally present in these rods makes their use cumbersome. Hu and Gao show that the use of amphiphilic coatings helps gold nanorods to work efficiently:

Multilayer coating of gold nanorods for combined stability and biocompatibility
Xiaoge Hu and Xiaohu Gao
DOI: 10.1039/C0CP02434A

The authors show that interactions between nanocrystals affects the tunneling current between an STM tip and the NCs:

Controlled electrostatic assembly of quantum dots vis-à-vis their electronic coupling and transport gap
Batu Ghosh and Amlan J. Pal
DOI: 10.1039/C0CP02729D

This paper shows that a single nanoparticle can be detected when it is driven through a nanopore electrophoretically. Particularly interesting is the role of the double layer around not just the pore but also the particle in determining the sensitivity of this process:

Electrokinetic particle translocation through a nanopore
Ye Ai and Shizhi Qian
DOI: 10.1039/C0CP02267E

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.

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

PCCP now offers you the chance to publish your accepted article as an Accepted Manuscript. This means that your research is available, in citable form, to the community even more rapidly. Click here to find out more.

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Top Ten most-read PCCP articles in September

This month sees the following articles in PCCP that are in the top ten most accessed in September:

A multifaceted approach to hydrogen storage 
Andrew J. Churchard, Ewa Banach, Andreas Borgschulte, Riccarda Caputo, Jian-Cheng Chen, David Clary, Karol J. Fijalkowski, Hans Geerlings, Radostina V. Genova, Wojciech Grochala, Tomasz Jaroń, Juan Carlos Juanes-Marcos, Bengt Kasemo, Geert-Jan Kroes, Ivan Ljubić, Nicola Naujoks, Jens K. Nørskov, Roar A. Olsen, Flavio Pendolino, Arndt Remhof, Loránd Románszki, Adem Tekin, Tejs Vegge, Michael Zäch and Andreas Züttel 
Phys. Chem. Chem. Phys., 2011, 13, 16955-16972 
DOI: 10.1039/c1cp22312g 

Graphene and carbon nanotube composite electrodes for supercapacitors with ultra-high energy density 
Qian Cheng, Jie Tang, Jun Ma, Han Zhang, Norio Shinya and Lu-Chang Qin 
Phys. Chem. Chem. Phys., 2011, 13, 17615-17624 
DOI: 10.1039/c1cp21910c 

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries 
Junbo Hou, Yuyan Shao, Michael W. Ellis, Robert B. Moore and Baolian Yi 
Phys. Chem. Chem. Phys., 2011, 13, 15384-15402 
DOI: 10.1039/c1cp21915d 

Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments 
Denis Jacquemin, Benedetta Mennucci and Carlo Adamo 
Phys. Chem. Chem. Phys., 2011, 13, 16987-16998 
DOI: 10.1039/c1cp22144b 

Graphene-encapsulated iron microspheres on the graphene nanosheets 
Peng Guo, Guang Zhu, Huaihe Song, Xiaohong Chen and Shijun Zhang 
Phys. Chem. Chem. Phys., 2011, 13, 17818-17824 
DOI: 10.1039/c1cp22378j 

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 

Simulating water with rigid non-polarizable models: a general perspective 
Carlos Vega and Jose L. F. Abascal 
Phys. Chem. Chem. Phys., 2011, Advance Article 
DOI: 10.1039/c1cp22168j 

Second-order optical nonlinearity and ionic conductivity of nanocrystalline GeS2–Ga2S3–LiI glass-ceramics with improved thermo-mechanical properties 
Changgui Lin, Laurent Calvez, Bruno Bureau, Haizheng Tao, Mathieu Allix, Zhangxiang Hao, Vincent Seznec, Xianghua Zhang and Xiujian Zhao 
Phys. Chem. Chem. Phys., 2010, 12, 3780-3787 
DOI: 10.1039/b921909a 

Carbon materials for supercapacitor application 
Elzbieta Frackowiak 
Phys. Chem. Chem. Phys., 2007, 9, 1774-1785 
DOI: 10.1039/b618139m 

Theoretical studies of 31P NMR spectral properties of phosphanes and related compounds in solution 
Boris Maryasin and Hendrik Zipse
Phys. Chem. Chem. Phys., 2011, 13, 5150-5158 
DOI: 10.1039/c0cp02653k 

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 or alternatively email us your suggestions.

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Editor’s Choice: Electrochemistry

journal cover imagePhysical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Rob Hillman, an expert in the field of electrochemistry, has picked his favourite articles recently published in this area in PCCP. He has also added his own comments on why he particularly liked each article.

Read Professor Hillman’s Editor’s choice selection along with his comments on each article today:

An authoritative and insightful review of protein film electrochemistry and the molecular basis of activity-potential relationships exemplified by nitrate reductase:

The relationship between redox enzyme activity and electrochemical potential—cellular and mechanistic implications from protein film electrochemistry
Andrew J. Gates, Gemma L. Kemp, Chun Yip To, James Mann, Sophie J. Marritt, Andrew G. Mayes, David J. Richardson and Julea N. Butt
DOI: 10.1039/C0CP02887H

Observation of a novel correlation between mechanical deformation (surface strain) and adsorption energetics, as classically manifested via “volcano” plots for hydrogen evolution kinetics:

Impact of surface mechanics on the reactivity of electrodes
J. Weissmüller, R. N. Viswanath, L. A. Kibler and D. M. Kolb
DOI: 10.1039/C0CP01742F

Sophisticated integration of quantum calculations and kinetic measurements for coupled proton-electron transfers in H-bond relay systems:

H-bond relays in proton-coupled electron transfers. Oxidation of a phenol concerted with proton transport to a distal base through an OH relay
Cyrille Costentin, Marc Robert, Jean-Michel Savéant and Cédric Tard
DOI: 10.1039/C0CP02275F

Collisions of single nanoparticles with a microelectrode produce distinct electrocatalytic signatures, according to whether the particles stick to the surface or interact only transiently:

Stochastic electrochemistry with electrocatalytic nanoparticles at inert ultramicroelectrodes—theory and experiments
Seong Jung Kwon, Hongjun Zhou, Fu-Ren F. Fan, Vasily Vorobyev, Bo Zhang and Allen J. Bard
DOI: 10.1039/C0CP02543G

Sophisticated theoretical modelling of Pt clusters on Pd shell over Au core nanoparticles providing new insights into electrocatalytic activity and suggesting an unexpected growth mode:

A density functional theory approach to mushroom-like platinum clusters on palladium-shell over Au core nanoparticles for high electrocatalytic activity
Sai Duan, Ping-Ping Fang, Feng-Ru Fan, Ian Broadwell, Fang-Zu Yang, De-Yin Wu, Bin Ren, Christian Amatore, Yi Luo, Xin Xu and Zhong-Qun Tian
DOI: 10.1039/C1CP20096H

Application of classical electrodeposition nucleation theory, coupled with EXAFS speciation, to metal deposition from novel green media:

Double layer effects on metal nucleation in deep eutectic solvents
Andrew P. Abbott, John C. Barron, Gero Frisch, Stephen Gurman, Karl S. Ryder and A. Fernando Silva
DOI: 10.1039/C0CP02244F

Spectroscopic characterization of ethanol electrooxidation on complex, but well-defined, Sn-modified Pt surfaces, including isotopic tracking of the fate of molecular fragments:

Electrochemical and spectroscopic studies of ethanol oxidation on Pt stepped surfaces modified by tin adatoms
Vinicius Del Colle, Janaina Souza-Garcia, Germano Tremiliosi-Filho, Enrique Herrero and Juan M. Feliu
DOI: 10.1039/C1CP20546C

Detailed imaging, scanning tunnelling spectroscopy and electron transfer rate determinations for surface-bound transition metal complexes:

Voltammetry and in situ scanning tunnelling spectroscopy of osmium, iron, and ruthenium complexes of 2,2′:6′,2′′-terpyridine covalently linked to Au(111)-electrodes
Princia Salvatore, Allan Glargaard Hansen, Kasper Moth-Poulsen, Thomas Bjørnholm, Richard John Nichols and Jens Ulstrup
DOI: 10.1039/C1CP21197H

Pd nanoparticles are required to nucleate Au nanoparticle formation at a liquid/liquid interface, following interfacial transfer into the organic phase of a species shown by XANES to be [AuCl4]:

Inhibited and enhanced nucleation of gold nanoparticles at the water|1,2-dichloroethane interface
Yvonne Gründer, Huong L. T. Ho, J. Fred W. Mosselmans, Sven L. M. Schroeder and Robert A. W. Dryfe
DOI: 10.1039/C1CP21536A

Elegant templated electrochemical fabrication of complex interfacial structures for controlled SERS enhancement of organic adsorbate:

SERS from two-tier sphere segment void substrates
Robert P. Johnson, Sumeet Mahajan, Mamdouh E. Abdelsalam, Robin M. Cole, Jeremy J. Baumberg, Andrea E. Russell and Philip N. Bartlett
DOI: 10.1039/C1CP21126A

Elegant in situ EXAFS on well-defined Pt surfaces yields features of PtO formation relevant to oxygen reduction in fuel cells:

In situ X-ray probing reveals fingerprints of surface platinum oxide
Daniel Friebel, Daniel J. Miller, Christopher P. O’Grady, Toyli Anniyev, John Bargar, Uwe Bergmann, Hirohito Ogasawara, Kjartan Thor Wikfeldt, Lars G. M. Pettersson and Anders Nilsson
DOI: 10.1039/C0CP01434F

Novel generic model for an electrochemical oscillator, showing complex spatiotemporal patterns with shrimp-like domains:

Self-organized distribution of periodicity and chaos in an electrochemical oscillator
Melke A. Nascimento, Jason A. C. Gallas and Hamilton Varela
DOI: 10.1039/C0CP01038C

Ag deposit structure is determined by the concentrations of silver precursor and the reductant in the two liquid phases; careful optimization yields nanowires:

The growth of single crystal silver wires at the nitrobenzene|water interface
Ulrich Hasse, Gottfried J. Palm, Winfried Hinrichs, Jan Schäfer and Fritz Scholz
DOI: 10.1039/C0CP01469A

A combination of spectroscopic probes yields insight into the interactions between oligothiophenes and carbon nanotubes:

The charging of the carbon nanotube/oligothiophene interphase as studied by in situ electron spin resonance/UV-Vis-NIR spectroelectrochemistry
Kinga Haubner, Karol Luspai, Peter Rapta and Lothar Dunsch
DOI: 10.1039/C1CP20738E

Au nanoparticles at the water/dichloroethane interface enhance photocurrents associated with quenching of a Zn(porphyrin)species by ferrocene:

Photocurrents at polarized liquid|liquid interfaces enhanced by a gold nanoparticle film
Delphine Schaming, Mohamad Hojeij, Nathalie Younan, Hirohisa Nagatani, Hye Jin Lee and Hubert H. Girault

DOI: 10.1039/C1CP22072A

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.

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

PCCP now offers you the chance to publish your accepted article as an Accepted Manuscript. This means that your research is available, in citable form, to the community even more rapidly. Click here to find out more.

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Top Ten most-read PCCP articles in August

This month sees the following articles in PCCP that are in the top ten most accessed in August:

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries
Junbo Hou, Yuyan Shao, Michael W. Ellis, Robert B. Moore and Baolian Yi 
Phys. Chem. Chem. Phys., 2011, 13, 15384-15402 
DOI: 10.1039/c1cp21915d 

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 

Characterization of nanostructured hybrid and organic solar cells by impedance spectroscopy 
Francisco Fabregat-Santiago, Germà Garcia-Belmonte, Iván Mora-Seró and Juan Bisquert 
Phys. Chem. Chem. Phys., 2011, 13, 9083-9118 
DOI: 10.1039/c0cp02249g 

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 

Colloidal metal nanoparticles as a component of designed catalyst 
Chun-Jiang Jia and Ferdi Schüth 
Phys. Chem. Chem. Phys., 2011, 13, 2457-2487 
DOI: 10.1039/c0cp02680h 

Carbon materials for supercapacitor application
Elzbieta Frackowiak 
Phys. Chem. Chem. Phys., 2007, 9, 1774-1785 
DOI: 10.1039/b618139m 

CVD graphene electrochemistry: the role of graphitic islands 
Dale A. C. Brownson and Craig E. Banks 
Phys. Chem. Chem. Phys., 2011, 13, 15825-15828 
DOI: 10.1039/c1cp21978b 

Recent progress in SERS biosensing 
Kyle C. Bantz, Audrey F. Meyer, Nathan J. Wittenberg, Hyungsoon Im, Özge Kurtuluş, Si Hoon Lee, Nathan C. Lindquist, Sang-Hyun Oh and Christy L. Haynes 
Phys. Chem. Chem. Phys., 2011, 13, 11551-11567 
DOI: 10.1039/c0cp01841d 

Electrocatalysis of oxygen reduction and small alcohol oxidation in alkaline media 
Jacob S. Spendelow and Andrzej Wieckowski 
Phys. Chem. Chem. Phys., 2007, 9, 2654-2675 
DOI: 10.1039/b703315j 

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions 
Lars Goerigk and Stefan Grimme 
Phys. Chem. Chem. Phys., 2011, 13, 6670-6688 
DOI: 10.1039/c0cp02984j 

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 or alternatively email us your suggestions.

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Editor’s Choice: Catalysis and surface chemistry

journal cover imagePhysical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Yasuhiro Iwasawa, an expert in the field of catalysis and surface chemistry, has picked his favourite articles recently published in this area in PCCP.

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

Single-molecule nanoscale electrocatalysis
Hao Shen, Weilin Xu and Peng Chen
DOI: 10.1039/C000448K

Nanoporous gold: a new material for catalytic and sensor applications
Arne Wittstock, Jürgen Biener and Marcus Bäumer
DOI: 10.1039/C0CP00757A

Characterization of Fe sites in Fe-zeolites by FTIR spectroscopy of adsorbed NO: are the spectra obtained in static vacuum and dynamic flow set-ups comparable?
Gloria Berlier, Carlo Lamberti, Mickaël Rivallan and Guido Mul
DOI: 10.1039/B917646M

The role of Cu on the reduction behavior and surface properties of Fe-based Fischer–Tropsch catalysts
Emiel de Smit, Frank M. F. de Groot, Raoul Blume, Michael Hävecker, Axel Knop-Gericke and Bert M. Weckhuysen
DOI: 10.1039/B920256K

Oscillatory behaviour of catalytic properties, structure and temperature during the catalytic partial oxidation of methane on Pd/Al2O3
Bertram Kimmerle, Alfons Baiker and Jan-Dierk Grunwaldt
DOI: 10.1039/B924001B

Combined TPRx, in situ GISAXS and GIXAS studies of model semiconductor-supported platinumcatalysts in the hydrogenation of ethane
Sonja A. Wyrzgol, Susanne Schäfer, Sungsik Lee, Byeongdu Lee, Marcel Di Vece, Xuebing Li, Sönke Seifert, Randall E. Winans, Martin Stutzmann, Johannes A. Lercher and Stefan Vajda
DOI: 10.1039/B926493K

In situ time-resolved DXAFS for the determination of kinetics of structural changes of H-ZSM-5-supported active Re-cluster catalyst in the direct phenol synthesis from benzene and O2
Mizuki Tada, Yohei Uemura, Rajaram Bal, Yasuhiro Inada, Masaharu Nomura and Yasuhiro Iwasawa
DOI: 10.1039/C000843P

Hydrogen induced CO activation on open Ru and Co surfaces
Sharan Shetty and Rutger A. van Santen
DOI: 10.1039/B926731J

Size-selected clusters as heterogeneous model catalysts under applied reaction conditions
Sebastian Kunz, Katrin Hartl, Markus Nesselberger, Florian F. Schweinberger, GiHan Kwon, Marianne Hanzlik, Karl J. J. Mayrhofer, Ueli Heiz and Matthias Arenz
DOI: 10.1039/C0CP00288G

Pt promotion and spill-over processes during deposition and desorption of upd-Had and OHad on PtxRu1−x/Ru(0001) surface alloys
Harry E. Hoster, Michael J. Janik, Matthew Neurock and R. Jürgen Behm
DOI: 10.1039/C003635H

O2 adsorption and dissociation on neutral, positively and negatively charged Aun (n = 5–79) clusters
Alberto Roldán, Josep Manel Ricart, Francesc Illas and Gianfranco Pacchioni
DOI: 10.1039/C004110F

Unravelling the atomic structure of cross-linked (1 × 2) TiO2(110)
Hans Hermann Pieper, Krithika Venkataramani, Stefan Torbrügge, Stephan Bahr, Jeppe V. Lauritsen, Flemming Besenbacher, Angelika Kühnle and Michael Reichling
DOI: 10.1039/C0CP00160K

‘Nanoreactors’ for photocatalytic H2 evolution in oil–water biphase systems
Jiehua Liu, Xiangfeng Wei, Yaolun Yu, Xin Wang, Wei-Qiao Deng and Xue-Wei Liu
DOI: 10.1039/C0CP01396J

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.

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

PCCP now offers you the chance to publish your accepted article as an Accepted Manuscript. This means that your research is available, in citable form, to the community even more rapidly. Click here to find out more.

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Editor’s Choice: Excited states, proton and electron transfer

journal cover imagePhysical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Carlo Adamo, an expert in the fields of excited states, proton and electron transfer, has picked his favourite articles recently published in this area in PCCP.

Read Professor Adamo’s Editor’s choice selection for free today:

Quantum coherence and its interplay with protein environments in photosynthetic electronic energy transfer
Akihito Ishizaki, Tessa R. Calhoun, Gabriela S. Schlau-Cohen and Graham R. Fleming
DOI: 10.1039/C003389H

Energetics and dynamics of proton transfer reactions along short water wires
Ville R. I. Kaila and Gerhard Hummer
DOI: 10.1039/C1CP21112A

Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond
Marcus Böckmann, Dominik Marx, Christine Peter, Luigi Delle Site, Kurt Kremer and Nikos L. Doltsinis
DOI: 10.1039/C0CP01661F

Combined effect of stacking and solvation on the spontaneous mutation in DNA
José P. Cerón-Carrasco, José Zúñiga, Alberto Requena, Eric A. Perpète, Catherine Michaux and Denis Jacquemin
DOI: 10.1039/C1CP20946A

QM/MM studies of structural and energetic properties of the far-red fluorescent protein HcRed
Qiao Sun, Markus Doerr, Zhen Li, Sean C. Smith and Walter Thiel
DOI: 10.1039/B918523B

Effect of solvent and additives on the open-circuit voltage of ZnO-based dye-sensitized solar cells: a combined theoretical and experimental study
Tangui Le Bahers, Frédéric Labat, Thierry Pauporté and Ilaria Ciofini
DOI: 10.1039/C004358C

Theoretical study of the opsin shift of deprotonated retinal schiff base in the M state of bacteriorhodopsin
Kazuhiro J. Fujimoto, Kota Asai and Jun-ya Hasegawa
DOI: 10.1039/C0CP00361A

Multiscale quantum mechanics/electromagnetics simulation for electronic devices
ChiYung Yam, Lingyi Meng, GuanHua Chen, Quan Chen and Ngai Wong
DOI: 10.1039/C1CP20766K

Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach
Vincenzo Barone, Julien Bloino, Susanna Monti, Alfonso Pedone and Giacomo Prampolini
DOI: 10.1039/C0CP01320J

Insights on the mechanism of proton transfer reactions in amino acids
Fernanda Duarte, Esteban Vöhringer-Martinez and Alejandro Toro-Labbé
DOI: 10.1039/C0CP02076A

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.

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

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Editor’s Choice: Ultracold Molecules

Physical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Roman Krems, an expert in the field of ultracold molecules, has picked his favourite articles recently published in this area in PCCP.

Read Professor Krems’ Editor’s choice selection today:

A dipolar gas of ultracold molecules
K.-K. Ni, S. Ospelkaus, D. J. Nesbitt, J. Ye and D. S. Jin
DOI: 10.1039/B911779B

Cold heteromolecular dipolar collisions
Brian C. Sawyer, Benjamin K. Stuhl, Mark Yeo, Timur V. Tscherbul, Matthew T. Hummon, Yong Xia, Jacek Kłos, David Patterson, John M. Doyle and Jun Ye
DOI: 10.1039/C1CP21203F

Inelastic collisions of ultracold polar LiCs molecules with caesium atoms in an optical dipole trap
Johannes Deiglmayr, Marc Repp, Roland Wester, Olivier Dulieu and Matthias Weidemüller
DOI: 10.1039/C1CP21396B

Trapping cold molecular hydrogen
Ch. Seiler, S. D. Hogan and F. Merkt
DOI: 10.1039/C1CP21276A

Formation and dynamics of van der Waals molecules in buffer-gas traps
Nathan Brahms, Timur V. Tscherbul, Peng Zhang, Jacek Kłos, Robert C. Forrey, Yat Shan Au, H. R. Sadeghpour, A. Dalgarno, John M. Doyle and Thad G. Walker
DOI: 10.1039/C1CP21317B

Universal ultracold collision rates for polar molecules of two alkali-metal atoms
Paul S. Julienne, Thomas M. Hanna and Zbigniew Idziaszek
DOI: 10.1039/C1CP21270B

A bright, slow cryogenic molecular beam source for free radicals
J. F. Barry, E. S. Shuman and D. DeMille
DOI: 10.1039/C1CP20335E

A cryogenic beam of refractory, chemically reactive molecules with expansion cooling
Nicholas R. Hutzler, Maxwell F. Parsons, Yulia V. Gurevich, Paul W. Hess, Elizabeth Petrik, Ben Spaun, Amar C. Vutha, David DeMille, Gerald Gabrielse and John M. Doyle
DOI: 10.1039/C1CP20901A

Production of cold bromine atoms at zero mean velocity by photodissociation
W. G. Doherty, M. T. Bell, T. P. Softley, A. Rowland, E. Wrede and D. Carty
DOI: 10.1039/C0CP02472D

Cooling and collisions of large gas phase molecules
David Patterson, Edem Tsikata and John M. Doyle
DOI: 10.1039/C002764B

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.

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

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Top Ten most-read PCCP articles in July

This month sees the following articles in PCCP that are in the top ten most accessed:-

Weak hydrogen bonds – strong effects? 
W. A. Herrebout and M. A. Suhm 
Phys. Chem. Chem. Phys., 2011, 13, 13858-13859 
DOI: 10.1039/C1CP90110A  

Multiple exciton generation in nanocrystal quantum dots – controversy, current status and future prospects 
David J. Binks 
Phys. Chem. Chem. Phys., 2011, 13, 12693-12704
DOI: 10.1039/C1CP20225A  

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  

Hofmeister effects: interplay of hydration, nonelectrostatic potentials, and ion size 
Drew F. Parsons, Mathias Boström, Pierandrea Lo Nostro and Barry W. Ninham 
Phys. Chem. Chem. Phys., 2011, 13, 12352-12367 
DOI: 10.1039/C1CP20538B 

Photoselective excited state dynamics in ZnO?Au nanocomposites and their implications in photocatalysis and dye-sensitized solar cells  
Soumik Sarkar, Abhinandan Makhal, Tanujjal Bora, Sunandan Baruah, Joydeep Dutta and Samir Kumar Pal
Phys. Chem. Chem. Phys., 2011, 13, 12488-12496 
DOI: 10.1039/C1CP20892F 

Recent progress in SERS biosensing
Kyle C. Bantz, Audrey F. Meyer, Nathan J. Wittenberg, Hyungsoon Im, Özge Kurtuluş, Si Hoon Lee, Nathan C. Lindquist, Sang-Hyun Oh and Christy L. Haynes 
Phys. Chem. Chem. Phys., 2011, 13, 11551-11567 
DOI: 10.1039/C0CP01841D  

Colloidal metal nanoparticles as a component of designed catalyst
Chun-Jiang Jia and Ferdi Schüth 
Phys. Chem. Chem. Phys., 2011, 13, 2457-2487 
DOI: 10.1039/C0CP02680H  

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  

High performance supercapacitors based on highly conductive nitrogen-doped graphene sheets 
Yongcai Qiu, Xinfeng Zhang and Shihe Yang 
Phys. Chem. Chem. Phys., 2011, 13, 12554-12558 
DOI: 10.1039/C1CP21148J  

Characterization of nanostructured hybrid and organic solar cells by impedance spectroscopy 
Francisco Fabregat-Santiago, Germà Garcia-Belmonte, Iván Mora-Seró and Juan Bisquert 
Phys. Chem. Chem. Phys., 2011, 13, 9083-9118 
DOI: 10.1039/C0CP02249G

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 or alternatively email us your suggestions.

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