PCCP Blog

Physical Chemistry Chemical Physics (PCCP) publishes high impact Communications on the most important new research in areas across the broad fields of physical chemistry, chemical physics and biophysical chemistry. PCCP is proud to be a Society journal and is co-owned by 17 national chemical societies.

Now PCCP’s Accepted Manuscript service means your research is available, in citable form, on average within one day of acceptance.

Choose to submit to one of our Associate Editors: Katsuhiko Ariga (NIMS, Japan), Hedi Mattoussi (Florida State University), Frank Neese (Max-Planck Institut für Bioanorganische Chemie, Germany) and Seong Keun Kim (Seoul National University, Korea) or to the Cambridge Editorial office.

Submit your best research today.

Read a selection of our high impact Communications:

The development of direct multicolour fluorescence cross-correlation spectroscopy: Towards a new tool for tracking complex biomolecular events in real-time
Holly M. Wobma, Megan L. Blades, Ekaterina Grekova, Dylan L. McGuire, Kun Chen, Warren C. W. Chan and David T. Cramb
DOI: 10.1039/C2CP23278B

Mesoporous carbon capsules as electrode materials in electrochemical double layer capacitors
Shanthi Murali, Daniel R. Dreyer, Patricia Valle-Vigón, Meryl D. Stoller, Yanwu Zhu, Cornelio Morales, Antonio B. Fuertes, Christopher W. Bielawski and Rodney S. Ruoff
DOI: 10.1039/C0CP02557G

Layering and shear properties of an ionic liquid, 1-ethyl-3-methylimidazolium ethylsulfate, confined to nano-films between mica surfaces
Susan Perkin, Tim Albrecht and Jacob Klein
DOI: 10.1039/B920571C

Nanoparticle-coated separators for lithium-ion batteries with advanced electrochemical performance
Jason Fang, Antonios Kelarakis, Yueh-Wei Lin, Chi-Yun Kang, Ming-Huan Yang, Cheng-Liang Cheng, Yue Wang, Emmanuel P. Giannelis and Li-Duan Tsai
DOI: 10.1039/C1CP22017A

A liposome-based energy conversion system for accelerating the multi-enzyme reactions
Ryuhei Matsumoto, Masaya Kakuta, Taiki Sugiyama, Yoshio Goto, Hideki Sakai, Yuichi Tokita, Tsuyonobu Hatazawa, Seiya Tsujimura, Osamu Shirai and Kenji Kano
DOI: 10.1039/C0CP00556H

2D assembly of gold–PNIPAM core–shell nanocrystals
Sarah Jaber, Matthias Karg, Anthony Morfa and Paul Mulvaney
DOI: 10.1039/C0CP02494E

CVD graphene electrochemistry: the role of graphitic islands
Dale A. C. Brownson and Craig E. Banks
DOI: 10.1039/C1CP21978B

The importance of surface morphology in controlling the selectivity of polycrystalline copper for CO₂ electroreduction
Wei Tang, Andrew A. Peterson, Ana Sofia Varela, Zarko P. Jovanov, Lone Bech, William J. Durand, Søren Dahl, Jens K. Nørskov and Ib Chorkendorff
DOI: 10.1039/C1CP22700A

In silico free energy predictions for ionic liquid-assisted exfoliation of a graphene bilayer into individual graphene nanosheets
Gary A Baker
DOI: 10.1039/C2CP40824D

Electrospinning of chitosan derivative nanofibers with structural stability in an aqueous environment
Ashleigh Cooper, Narayan Bhattarai, Forrest M. Kievit, Michael Rossol and Miqin Zhang
DOI: 10.1039/C0CP02909B

Visualisation of electrochemical processes at optically transparent carbon nanotube ultramicroelectrodes (OT-CNT-UMEs)
Agnieszka Rutkowska, Tahani M. Bawazeer, Julie V. Macpherson and Patrick R. Unwin
DOI: 10.1039/C0CP02804E

Strong location dependent surface enhanced Raman scattering on individual gold semishell and nanobowl particles
Jian Ye, Chang Chen, Liesbet Lagae, Guido Maes, Gustaaf Borghs and Pol Van Dorpe
DOI: 10.1039/C0CP00872A

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

Fluorescence energy transfer efficiency in labeled yeast cytochrome c: a rapid screen for ion biocompatibility in aqueous ionic liquids
Sheila N. Baker, Hua Zhao, Siddharth Pandey, William T. Heller, Frank V. Bright and Gary A. Baker
DOI: 10.1039/C0CP02345K

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

On the proton conductivity in pure and gadolinium doped nanocrystalline cerium oxide
Mona Shirpour, Giuliano Gregori, Rotraut Merkle and Joachim Maier
DOI: 10.1039/C0CP01702G

Salting out in organic solvents: a new route to carbon nanotube bundle engineering
Maxim V. Fedorov, Raz N. Arif, Andrey I. Frolov, Martin Kolar, Anastasia O. Romanova and Aleksey G. Rozhin
DOI: 10.1039/C1CP21440C

Electrical conductivity in patterned silver–mesoporous titania nanocomposite thin films: towards robust 3D nano-electrodes
Eduardo D. Martínez, Leticia Granja, Martín G. Bellino and Galo J. A. A. Soler-Illia
DOI: 10.1039/C0CP00824A

Charge transfer kinetics in CdSe quantum dot sensitized solar cells
Eugenia Martínez-Ferrero, Ivan Mora Seró, Josep Albero, Sixto Giménez, Juan Bisquert and Emilio Palomares
DOI: 10.1039/B924970B

“Cosmetic electrochemistry”: the facile production of graphite microelectrode ensembles
Nadeem A. Choudhry, Rashid O. Kadara and Craig E. Banks
DOI: 10.1039/B923246J

Dielectrophoretic trapping of DNA-coated gold nanoparticles on silicon based vertical nanogap devices
Sebastian Strobel, Ralph A. Sperling, Bernhard Fenk, Wolfgang J. Parak and Marc Tornow
DOI: 10.1039/C0CP02718A

Nitrogen-doped coatings on carbon nanotubes and their stabilizing effect on Pt nanoparticles
Xenia Tuaev, Jens Peter Paraknowitsch, René Illgen, Arne Thomas and Peter Strasser
DOI: 10.1039/C2CP40760D

Application of surface enhanced Raman spectroscopy to the study of SOFC electrode surfaces
Xiaxi Li, Kevin Blinn and Meilin Liu
DOI: 10.1039/C2CP40091J

You can find many more excellent Communications on our website.

Physical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Elangannan Arunan, an expert in the field of bonding, reaction kinetics and dynamics, has picked his favourite articles recently published in this area 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 Arunan’s Editor’s choice selection for free today:

Perspectives

The role of weak hydrogen bonds in chiral recognition
Debora Scuderi, Katia Le Barbu-Debus and A. Zehnacker
DOI: 10.1039/C1CP20987F

Proton transfer and polarity changes in ionic liquid–water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate–water mixtures—Part 1
Martin Brehm, Henry Weber, Alfonso S. Pensado, Annegret Stark and Barbara Kirchner
DOI: 10.1039/C2CP23983C

Original research

Molecular geometries of H₂S ICF₃ and H₂O ICF₃ characterised by broadband rotational spectroscopy
Susanna L. Stephens, Nicholas R. Walker and Anthony C. Legon
DOI: 10.1039/C1CP22339A

Infrared spectra of the protonated neurotransmitter histamine: competition between imidazolium and ammonium isomers in the gas phase
Anita Lagutschenkov, Judith Langer, Giel Berden, Jos Oomens and Otto Dopfer
DOI: 10.1039/C1CP21681C

A π-stacked phenylacetylene dimer
Surajit Maity, G. Naresh Patwari, Robert Sedlak and Pavel Hobza
DOI: 10.1039/C1CP20677J

Experimentally measured permanent dipoles induced by hydrogen bonding. The Stark spectrum of indole–NH₃
Adam J. Fleisher, Justin W. Young and David W. Pratt
DOI: 10.1039/C2CP23902G

Infrared spectrum of the 2-chloroethyl radical in solid para-hydrogen
Jay C. Amicangelo, Barbara Golec, Mohammed Bahou and Yuan-Pern Lee
DOI: 10.1039/C1CP22524C

Experimental and modeling study of carbon suboxide decomposition behind reflected shock waves
M. Aghsaee, H. Böhm, S. H. Dürrstein, M. Fikri and C. Schulz
DOI: 10.1039/C1CP22044F

Exploring microsolvation of the anesthetic propofol
Iker Leon, Emilio J. Cocinero, Judith Millán, Sander Jaeqx, Anouk M. Rijs, Alberto Lesarri, Fernando Castaño and José A. Fernández
DOI: 10.1039/C2CP23583H

Low-temperature combustion chemistry of biofuels: pathways in the initial low-temperature (550 K–750 K) oxidation chemistry of isopentanol
Oliver Welz, Judit Zádor, John D. Savee, Martin Y. Ng, Giovanni Meloni, Ravi X. Fernandes, Leonid Sheps, Blake A. Simmons, Taek Soon Lee, David L. Osborn and Craig A. Taatjes
DOI: 10.1039/C2CP23248K

You can find many more excellent articles on our website.

Prof. Alfred B. Anderson of Case Western Reserve University has discussed the content of his recent PCCP Perspective on Nanowerk. Anderson argues that the platinum electrodes commonly used in fuel cells have fundamental drawbacks that mean their full potential will never be reached, and scientists would be better putting more efforts into searching for an alternative.

Read the full details of Prof. Anderson’s fascinating PCCP Perspective today:

Insights into electrocatalysis
Alfred B. Anderson
Phys. Chem. Chem. Phys., 2012, 14, 1330-1338
DOI: 10.1039/C2CP23616H

US-based scientists Jinquan Chen and Bern Kohler have studied the excited-state dynamics of 5 xanthine derivatives. The compounds display ultrashort excited state lifetimes – analogous to adenine and guanine – and the authors conclude that these compounds may be candidates for the building blocks of life on prebiotic Earth.

Read this fascinating PCCP paper today:

Ultrafast nonradiative decay by hypoxanthine and several methylxanthines in aqueous and acetonitrile solution
Jinquan Chen and Bern Kohler
DOI: 10.1039/C2CP41296A

We are delighted to announce the publication of Issue 26 of PCCP which includes a themed collection on the Structure and reactivity of small particles: from clusters to aerosols, and which is now online!

The themed issue was Guest-Edited by by Vlasta Bonacic-Koutecky from Humboldt University of Berlin, Germany and Thorsten M. Bernhardt from the University of Ulm, Germany. This themed issue on the Structure and reactivity of small particles: from clusters to aerosols contains an array of fascinating articles as well as the below highlighted Editorial and Perspectives:

Editorial
Structure and reactivity of small particles: from clusters to aerosols
Vlasta Bonačić-Koutecký and Thorsten M. Bernhardt
Phys. Chem. Chem. Phys., 2012, 14, 9252-9254
DOI: 10.1039/C2CP90066A

Perspectives
Gas phase metal cluster model systems for heterogeneous catalysis
Sandra M. Lang and Thorsten M. Bernhardt
Phys. Chem. Chem. Phys., 2012, 14, 9255-9269
DOI: 10.1039/C2CP40660H

Structure characterization of metal oxide clusters by vibrational spectroscopy: possibilities and prospects
Knut R. Asmis
Phys. Chem. Chem. Phys., 2012, 14, 9270-9281
DOI: 10.1039/C2CP40762K

Silver cluster–biomolecule hybrids: from basics towards sensors
Vlasta Bonačić-Koutecký, Alexander Kulesza, Lars Gell, Roland Mitrić, Rodolphe Antoine, Franck Bertorelle, Ramzi Hamouda, Driss Rayane, Michel Broyer, Thibault Tabarin and Philippe Dugourd
Phys. Chem. Chem. Phys., 2012, 14, 9282-9290
DOI: 10.1039/C2CP00050D

Ultrafast laser spectroscopy and control of atmospheric aerosols
J. Kasparian and J.-P. Wolf
Phys. Chem. Chem. Phys., 2012, 14, 9291-9300
DOI: 10.1039/C2CP23576E

Also in Issue 26 are the following exciting Perspectives and Communication:

Perspectives

Quantum chemistry simulation on quantum computers: theories and experiments
Dawei Lu, Boruo Xu, Nanyang Xu, Zhaokai Li, Hongwei Chen, Xinhua Peng, Ruixue Xu and Jiangfeng Du
Phys. Chem. Chem. Phys., 2012, 14, 9411-9420
DOI: 10.1039/C2CP23700H

Molecular optoelectronics: the interaction of molecular conduction junctions with light
Michael Galperin and Abraham Nitzan
Phys. Chem. Chem. Phys., 2012, 14, 9421-9438
DOI: 10.1039/C2CP40636E

Communication
On the microscopic origin of bending of graphene nanoribbons in the presence of a perpendicular electric field
Mausumi Chattopadhyaya, Md. Mehboob Alam and Swapan Chakrabarti
Phys. Chem. Chem. Phys., 2012, 14, 9439-9443
DOI: 10.1039/C2CP24015G

Take a look at the issue today!

Physical Chemistry Chemical Physics (PCCP) Advisory Board member Professor Charusita Chakravarty, an expert in the field of theoretical chemistry with a particular interest in modelling liquids, has picked her favourite articles recently published in this area in PCCP.

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.

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

Multiscale modeling of soft matter: scaling of dynamics
Dominik Fritz, Konstantin Koschke, Vagelis A. Harmandaris, Nico F. A. van der Vegt and Kurt Kremer
DOI: 10.1039/C1CP20247B

Study of the ST2 model of water close to the liquid–liquid critical point
Francesco Sciortino, Ivan Saika-Voivod and Peter H. Poole
DOI: 10.1039/C1CP22316J

Conditional reversible work method for molecular coarse graining applications
Emiliano Brini, Valentina Marcon and Nico F. A. van der Vegt
DOI: 10.1039/C0CP02888F

Influence of water–protein hydrogen bonding on the stability of Trp-cage miniprotein. A comparison between the TIP3P and TIP4P-Ew water models
Dietmar Paschek, Ryan Day and Angel E. García
DOI: 10.1039/C1CP22110H

Water under temperature gradients: polarization effects and microscopic mechanisms of heat transfer
Jordan Muscatello, Frank Römer, Jonás Sala and Fernando Bresme
DOI: 10.1039/C1CP21895F
You may also be interested in these other exciting PCCP articles in Prof. Chakravarty’s research area:

Post-modern valence bond theory for strongly correlated electron spins
David W. Small and Martin Head-Gordon
DOI: 10.1039/C1CP21832H

The dynamics of the H⁺ + D₂ reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results
P. G. Jambrina, F. J. Aoiz, N. Bulut, Sean C. Smith, G. G. Balint-Kurti and M. Hankel
DOI: 10.1039/B919914D

Initial stages of salt crystal dissolution determined with ab initio molecular dynamics
Li-Min Liu, Alessandro Laio and Angelos Michaelides
DOI: 10.1039/C1CP21077G

Signatures of coherent vibrational energy transfer in IR and Raman line shapes for liquid water
Mino Yang and J. L. Skinner
DOI: 10.1039/B918314K

Ab initio theoretical calculations of the electronic excitation energies of small water clusters
Hiroto Tachikawa, Akihiro Yabushita and Masahiro Kawasaki
DOI: 10.1039/C1CP20649D

QM/MM simulation of liquid water with an adaptive quantum region
Noam Bernstein, Csilla Várnai, Iván Solt, Steven A. Winfield, Mike C. Payne, István Simon, Mónika Fuxreiter and Gábor Csányi
DOI: 10.1039/C1CP22600B

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The metal–organic framework (MOF) Cu-BTC has been the subject of extensive study, but now scientists working in the USA and France have found evidence that the material has potentially important redox properties. Previously small quantities of Cu⁺ observed in the MOF had been attributed to impurities but Szanyi et al. have shown that the ratio of Cu⁺ : Cu²⁺ in the framework can be altered by varying the conditions the material is exposed to.  This exciting work has been highlighted in phys.org.

Read the full details of this PCCP article today:

Well-studied Cu–BTC still serves surprises: evidence for facile Cu²⁺/Cu⁺ interchange
Janos Szanyi, Marco Daturi, Guillaume Clet, Donald R. Baer and Charles H. F. Peden
DOI: 10.1039/C2CP23708C

The folding of proteins in a living cell is affected by all the other species present in the cell which can get in the way. Hence studying protein folding in solution does not give a full picture of what really happens in cells.

Raymond Kapral and Carlos Echeverriaab working at the University of Toronto and the Universidad de Los Andes used computer simulations to understand the effects of crowding on the folding of the adenylate kinase protein.

They found that when there were a lot of obstacles present along with the protein it was more likely to be in a closed confirmation, and interestingly that small obstacles could interact with the protein so that it was locked in an open confirmation.

The authors suggest that their method could be extended to provide further information on protein dynamics in more realistic models of crowded systems.

Read this HOT article today:

Molecular crowding and protein enzymatic dynamics
Carlos Echeverria and Raymond Kapral
Phys. Chem. Chem. Phys., 2012, DOI: 10.1039/C2CP40200A