Rowan Frame, Commissioning Editor – Page 4

Author Archive

David Nesbitt elected as member of the American Academy of Arts and Sciences

04 Jun 2013

PCCP Deputy Chair David Nesbitt has been elected as a 2013 member of theAmerican Academy of Arts and Sciences.

He joins some of the world’s most accomplished leaders from academia, business, public affairs, the humanities, and the arts, including JILA Fellows Carl Lineberger, Eric Cornell, Margaret Murnane, and Deborah Jin, Fellow emeritus Carl Wieman, and such luminaries as George Washington, Benjamin Franklin, Daniel Webster, Ralph Waldo Emerson, Albert Einstein, and Winston Churchill.

David Nesbitt is know for his research in the areas of laser spectroscopy, dynamics and kinetics of fundamental molecular, bio-molecular, and nanoparticle systems.

Check out Prof. Nesbitt’s very recently published article in PCCP:

Multiphoton photoelectron emission microscopy of single Au nanorods: combined experimental and theoretical study of rod morphology and dielectric environment on localized surface plasmon resonances
Andrej Grubisic, Volker Schweikhard, Thomas A. Baker and David J. Nesbitt
DOI: 10.1039/C3CP44385J

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Prof. Rajamani Krishna wins the 2013 ENI “New Frontiers of Hydrocarbons” award

03 Jun 2013

The “New Frontiers of Hydrocarbons” award in the Downstream category has been assigned to Rajamani Krishna, a professor at Amsterdam University’s Van’t Hoff Institute for Molecular Sciences.

Professor Krishna’s research improves the processes of gas-purification and separation through the understanding of fundamental physical and chemical phenomena at molecular and microscopic level.

Take a look at Prof. Krishna’s recent Perspective article in PCCP:

Influence of adsorption thermodynamics on guest diffusivities in nanoporous crystalline materials
Rajamani Krishna and Jasper M. van Baten
DOI: 10.1039/C3CP50449B

Some of his recent excellent articles and reviews across RSC journals include:

In silico screening of metal–organic frameworks in separation applications
Rajamani Krishna and Jasper M. van Baten
Phys. Chem. Chem. Phys., 2011,13, 10593-10616
DOI: 10.1039/C1CP20282K, Perspective

Metal–organic frameworks with potential for energy-efficient adsorptive separation of light hydrocarbons
Yabing He, Rajamani Krishna and Banglin Chen
Energy Environ. Sci., 2012,5, 9107-9120
DOI: 10.1039/C2EE22858K, Paper

Diffusion in porous crystalline materials
Rajamani Krishna
Chem. Soc. Rev., 2012,41, 3099-3118
DOI: 10.1039/C2CS15284C, Tutorial Review

Entropy effects during sorption of alkanes in zeolites
Rajamani Krishna, Berend Smit and Sofia Calero
Chem. Soc. Rev., 2002,31, 185-194
DOI: 10.1039/B101267N, Review Article

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This week’s HOT articles

03 Jun 2013

Perspective articles:

Charge trapping in TiO2 polymorphs as seen by Electron Paramagnetic Resonance spectroscopy
Mario Chiesa, Maria Cristina Paganini, Stefano Livraghi and Elio Giamello
DOI: 10.1039/C3CP50658D

Charge trapping in TiO2 polymorphs as seen by Electron Paramagnetic Resonance spectroscopy

(Sub-)femtosecond control of molecular reactions via tailoring the electric field of light
Matthias F. Kling, Philipp von den Hoff, Irina Znakovskaya and Regina de Vivie-Riedle
DOI: 10.1039/C3CP50591J

(Sub-)femtosecond control of molecular reactions via tailoring the electric field of light

Original research articles:

Origin of enhanced photocatalytic activity and photoconduction in high aspect ratio ZnO nanorods
A. Leelavathi, Giridhar Madras and N. Ravishankar
DOI: 10.1039/C3CP51058A

Origin of enhanced photocatalytic activity and photoconduction in high aspect ratio ZnO nanorods

Excited state localisation cascades in inorganic semiconductor nanoparticles
Martijn A. Zwijnenburg
DOI: 10.1039/C3CP50800E

Excited state localisation cascades in inorganic semiconductor nanoparticles

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Recent HOT PCCP articles

21 May 2013

Perspectives

Redox and electrochemical water splitting catalytic properties of hydrated metal oxide modified electrodes
Richard L. Doyle, Ian J. Godwin, Michael P. Brandon and Michael E. G. Lyons
DOI: 10.1039/C3CP51213D, Perspective

Influence of adsorption thermodynamics on guest diffusivities in nanoporous crystalline materials
Rajamani Krishna and Jasper M. van Baten
DOI: 10.1039/C3CP50449B, Perspective

Electric-double-layer field-effect transistors with ionic liquids
Takuya Fujimoto and Kunio Awaga
DOI: 10.1039/C3CP50755F, Perspective

The role of interfacial charge transfer-type interactions in the decay of plasmon excitations in metal nanoparticles
Kenneth O. Aruda, Mario Tagliazucchi, Christina M. Sweeney, Daniel C. Hannah and Emily A. Weiss
DOI: 10.1039/C3CP51005K, Perspective

Original Research

Unusual molecular material formed through irreversible transformation and revealed by 4D electron microscopy
Renske M. van der Veen, Antoine Tissot, Andreas Hauser and Ahmed H. Zewail
DOI: 10.1039/C3CP51011E, Paper

A band Lanczos approach for calculation of vibrational coupled cluster response functions: simultaneous calculation of IR and Raman anharmonic spectra for the complex of pyridine and a silver cation
Ian H. Godtliebsen and Ove Christiansen
DOI: 10.1039/C3CP50283J, Paper

Spectral assignments and NMR parameter–structure relationships in borates using high-resolution 11B NMR and density functional theory
Oliver L. G. Alderman, Dinu Iuga, Andrew P. Howes, Kevin J. Pike, Diane Holland and Ray Dupree
DOI: 10.1039/C3CP50772F, Paper

Spectromicroscopy of pulses transporting alkali metal in a surface reaction
S. Günther, Hong Liu, T. O. Menteş, A. Locatelli and R. Imbihl
DOI: 10.1039/C3CP44478C, Paper

Dissecting the structural determinants for the difference in mechanical stability of silk and amyloid beta-sheet stacks
Senbo Xiao, Shijun Xiao and Frauke Gräter
DOI: 10.1039/C3CP00067B, Paper

First principles intensity calculations of the methane rovibrational spectra in the infrared up to 9300 cm−1
Michaël Rey, Andrei V. Nikitin and Vladimir G. Tyuterev
DOI: 10.1039/C3CP50275A, Paper

Quantitative studies of adsorbate dynamics at noble metal electrodes by in situ Video-STM
Yaw-Chia Yang and Olaf M. Magnussen
DOI: 10.1039/C3CP51027A, Paper

Ultra-slow dynamics in low density amorphous ice revealed by deuteron NMR: indication of a glass transition
Florian Löw, Katrin Amann-Winkel, Thomas Loerting, Franz Fujara and Burkhard Geil
DOI: 10.1039/C3CP50818H, Paper

Structures of hydrogen bond networks formed by a few tens of methanol molecules in the gas phase: size-selective infrared spectroscopy of neutral and protonated methanol clusters
Tomohiro Kobayashi, Ryunosuke Shishido, Kenta Mizuse, Asuka Fujii and Jer-Lai Kuo
DOI: 10.1039/C3CP50985K, Paper

Dependence on the structure and surface polarity of ZnS photocatalytic activities of water splitting: first-principles calculations
Xiangying Meng, Hai Xiao, Xiaohong Wen, William A. Goddard III, Song Li and Gaowu Qin
DOI: 10.1039/C3CP50330E, Paper

Changing the shape of molecular ions: photoisomerization action spectroscopy in the gas phase
B. D. Adamson, N. J. A. Coughlan, R. E. Continetti and E. J. Bieske
DOI: 10.1039/C3CP51393A, Paper

Structural polymorphism in self-assembled networks of a triphenylene based macrocycle
Kunal S. Mali, Matthias Georg Schwab, Xinliang Feng, Klaus Müllen and Steven De Feyter
DOI: 10.1039/C3CP51074C, Paper

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Integrated microfluidic test-bed for energy conversion devices

13 May 2013

Segalman, Ager and co-authors present a versatile microfluidic test-bed for testing of integrated catalysis and mass transport components for energy conversion via water electrolysis in their recent PCCP Communication.

Their microfluidic electrolyzer for water splitting can be integrated with different anode and cathode materials, which can be easily exchanged and tailored at scales amenable to research activities, therefore allowing the performance of integrated devices to be readily assessed. In addition, their novel design can be easily adapted to allow direct solar irradiation and, consequently, artificial photosynthesis.

Read the Communication today:

Integrated microfluidic test-bed for energy conversion devices
Miguel A. Modestino, Camilo A. Diaz-Botia, Sophia Haussener, Rafael Gomez-Sjoberg, Joel W. Ager and Rachel A. Segalman
DOI: 10.1039/C3CP51302E

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The Gordon F. Kirkbright Bursary Award 2014

08 May 2013

The Gordon F. Kirkbright bursary award is a prestigious annual award that enables a promising student/non-tenured young scientist of any nation to attend a recognised scientific meeting or visit a place of learning.

Applications are invited for the 2014 Gordon Kirkbright Bursary.

For further information contact John Chalmers at, email: vibspecconsult@aol.com

The closing date for entries is 31 December 2013.

The fund for this bursary was established in 1985 as a memorial to Professor Gordon Kirkbright in recognition of his contributions to analytical spectroscopy and to science in general. Although the fund is administered by the Association of British Spectroscopists (ABS) Trust, the award is not restricted to spectroscopists.

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Using NMR to study ion adsorption in porous carbide-derived carbons

26 Apr 2013

Nuclear magnetic resonance study of ion adsorption on microporous carbide-derived carbon Developing alternative energy storage devices, such as supercapacitors, is of rising importance when facing today’s challenges of climate change and fossil fuel depletion. Supercapacitors typically employ porous carbon electrodes as they have large surface areas for ion electrosorption, good electronic conductivities and relatively low production cost. The design and improvement of supercapacitors is only possible with a detailed understanding of ion adsorption within porous carbon.

A group of Scientists from the UK, Germany, the USA and France have used NMR spectroscopy to systematically study ion adsorption in porous carbide-derived carbons. Their results provide insight into the different electrolyte environments present in the carbon, and how they are affected by pore size. The group, led by Prof. Clare Grey, also explored the effects of sample orientation, and developed 13C-1H CP NMR experiments to select the ions adsorbed in the pores.

These techniques presented in their recent PCCP paper will be useful for future investigations into adsorption on porous carbons.

Read this HOT article today:

Nuclear magnetic resonance study of ion adsorption on microporous carbide-derived carbon
Alexander C. Forse, John M. Griffin, Hao Wang, Nicole M. Trease, Volker Presser, Yury Gogotsi, Patrice Simon and Clare P. Grey
DOI: 10.1039/C3CP51210J

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PCCP Communications: fast publication of high impact research

24 Apr 2013

Physical Chemistry Chemical Physics (PCCP) publishes high impact Communications on the most important new research.

We provide our authors with a fast publication service: the average time from receipt to first publication in March 2013 was just 36 days for Communication Articles. Now PCCP’s Accepted Manuscript service means your research is available, in citable form, on average within one day of acceptance.

Why publish in PCCP?

•             Committed to publishing the best research across physical chemistry, chemical physics and biophysical chemistry
•             Large community-spanning international readership
•             Very efficient, rigorous and fair peer review procedure
•             High impact factor: 3.57
•             No author page charges or colour charges
•             Society publishing, and fully open-access compatible

Submit your best research today and see your Communication published on average five weeks after submission.

Below is a collection of our very recent high impact Communications, with a selection available to read for free for a limited period:

FREE: Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics
Roberto Peverati and Donald G. Truhlar
DOI: 10.1039/C2CP42576A

FREE: Integrated microfluidic test-bed for energy conversion devices
Rachel A Segalman, Miguel A. Modestino, Joel W. Ager III, Sophia Haussener, Rafael Gomez-Sjoberg and Camilo Diaz-Botia
DOI: 10.1039/C3CP51302E

FREE: Characterization of an activated iridium water splitting catalyst using infrared photodissociation of H2 tagged ions
Etienne Garand, Joseph A. Fournier, Michael Z. Kamrath, Nathan D. Schley, Robert H. Crabtree and Mark A. Johnson
DOI: 10.1039/C2CP41490B

FREE: Bioelectrocatalytic oxidation of glucose with antibiotic channel-containing liposomes
Shuji Fujita, Ryuhei Matsumoto, Kenichi Ogawa, Hideki Sakai, Akihiro Maesaka, Yuichi Tokita, Seiya Tsujimura, Osamu Shirai and Kenji Kano
DOI: 10.1039/C3CP43998D

FREE: Synthesis, Characterization and Organic Field Effect Transistor Performance of Diketopyrrolopyrrole- Fluorenone Copolymer
Prashant Murlidhar Sonar, Taejun Ha and Ananth Dodabalapur
DOI: 10.1039/C3CP50286D

FREE: Surface oxidation of gold nanoparticles supported on a glassy carbon electrode in sulphuric acid medium: contrasts with the behaviour of ‘macro’ gold
Ying Wang, Eduardo Laborda, Alison Crossley and Richard G. Compton
DOI: 10.1039/C3CP44615H

FREE: Supramolecular H-bonded porous networks at surfaces: exploiting primary and secondary interactions in a bi-component melamine–xanthine system
Artur Ciesielski, Sébastien Haar, Gábor Paragi, Zoltán Kupihár, Zoltán Kele, Stefano Masiero, Célia Fonseca Guerra, F. Matthias Bickelhaupt, Gian Piero Spada, Lajos Kovács and Paolo Samorì
DOI: 10.1039/C3CP50891A

The influence of thermal degradation on the electrodeposition of aluminium from an air- and water-stable ionic liquid
Jean-Pierre Marcel Veder, Thomas Ruether, Mike Horne, Alan M Bond and Theo Rodopoulos
DOI: 10.1039/C3CP50690H

Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
Lars Goerigk, Amir Karton, Jan M. L. Martin and Leo Radom
DOI: 10.1039/C3CP00057E

Operando XAFS study of catalytic NO reduction over Cu/CeO2: the effect of copper–ceria interaction under periodic operation
Yasutaka Nagai, Kazuhiko Dohmae, Yusaku F. Nishimura, Hitoshi Kato, Hirohito Hirata and Naoki Takahashi
DOI: 10.1039/C3CP44316G

Other origins for the fluorescence modulation of single dye molecules in open-circuit and short-circuit devices
Jefri S. Teguh, Michael Kurniawan, Xiangyang Wu, Tze Chien Sum and Edwin K. L. Yeow
DOI: 10.1039/C2CP43284F

Roughening of Pt nanoparticles induced by surface-oxide formation
Tianwei Zhu, Emiel J. M. Hensen, Rutger A. van Santen, Na Tian, Shi-Gang Sun, Payam Kaghazchi and Timo Jacob
DOI: 10.1039/C2CP44252C

ZnO nanoparticle based highly efficient CdS/CdSe quantum dot-sensitized solar cells
Chunhui Li, Qingbo Meng and Bo Brummerstedt Iversen
DOI: 10.1039/C3CP50365H

Natural mineral tetrahedrite as a direct source of thermoelectric materials
Xu Lu and Donald T. Morelli
DOI: 10.1039/C3CP50920F

Attenuated total reflectance infrared spectroelectrochemistry at a carbon particle electrode; unmediated redox control of a [NiFe]-hydrogenase solution
Adam J. Healy, Philip A. Ash, Oliver Lenz and Kylie A. Vincent
DOI: 10.1039/C3CP00119A

Using waste Li ion batteries as cathodes in rechargeable Li–liquid batteries
Jinyoung Chun, Moonsik Chung, Jinwoo Lee and Youngsik Kim
DOI: 10.1039/C3CP00006K

Origin of electrolyte-dopant dependent sulfur poisoning of SOFC anodes
ZhenHua Zeng, Mårten E. Björketun, Sune Ebbesen, Mogens B. Mogensen and Jan Rossmeisl
DOI: 10.1039/C3CP51099A

Molecular-level characterization of the structure and the surface chemistry of periodic mesoporous organosilicates using DNP-surface enhanced NMR spectroscopy
Wolfram R. Grüning, Aaron J. Rossini, Alexandre Zagdoun, David Gajan, Anne Lesage, Lyndon Emsley and Christophe Copéret
DOI: 10.1039/C3CP00026E

Critical solution behavior of poly(N-isopropyl acrylamide) in ionic liquid–water mixtures
Purnendu K. Nayak, Adam P. Hathorne and Harry Bermudez
DOI: 10.1039/C2CP44205A

Resonance Raman studies of excited state structural displacements of conjugated polymers in donor/acceptor charge transfer complexes
Adam J. Wise and John K. Grey
DOI: 10.1039/C2CP41748K

The bulk and the gas phase of 1-ethyl-3-methylimidazolium ethylsulfate: dispersion interaction makes the difference
Friedrich Malberg, Alfonso S. Pensado and Barbara Kirchner
DOI: 10.1039/C2CP41878A

Resonant X-ray emission spectroscopy reveals d–d ligand-field states involved in the self-assembly of a square-planar platinum complex
Claudio Garino, Erik Gallo, Nikolay Smolentsev, Pieter Glatzel, Roberto Gobetto, Carlo Lamberti, Peter J. Sadler and Luca Salassa
DOI: 10.1039/C2CP42451G

Well-defined lipid interfaces for protein adsorption studies
Cristina Satriano, Sofia Svedhem and Bengt Kasemo
DOI: 10.1039/C2CP43254D

Charge localization increases chemical expansion in cerium-based oxides
Dario Marrocchelli, Sean R. Bishop, Harry L. Tuller, Graeme W. Watson and Bilge Yildiz
DOI: 10.1039/C2CP40754J

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Focussing on adatoms gives surprising results in study of CO2 interaction with catalyst

22 Apr 2013

A recent PCCP article by Zdenek Dohnálek and co-workers on the interaction of CO₂ with oxygen adatoms on rutile TiO₂ has been featured in Phys.org

Read the full article in Phys.org here…

Check out the fantastic artwork from Dohnálek’s group, which is featured on the front cover of Issue 17 of PCCP, and also in the Phys.org article.

Read their article in PCCP:

Interaction of CO2 with oxygen adatoms on rutile TiO2(110)
Xiao Lin, Zhi-Tao Wang, Igor Lyubinetsky, Bruce D. Kay and Zdenek Dohnálek
DOI: 10.1039/C3CP44040K

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Astrochemistry of Dust, Ice and Gas: call for papers

12 Apr 2013

PCCP themed issue: call for papers

PCCP themed issue: Astrochemistry of Dust, Ice and Gas
Guest Editor: Wendy Brown (University of Sussex)

PCCP is delighted to announce a high-profile themed issue ‘Astrochemistry of Dust, Ice and Gas’. It is our pleasure to invite you to submit an original research article for this themed issue.

The themed issue will be published in Physical Chemistry Chemical Physics (PCCP) in 2014. It will receive great exposure, and get significant promotion, including promotion at Faraday Discussion 168, which will also cover the astrochemistry of dust, ice and gas, in April 2014, Leiden, The Netherlands.

PCCP is a high-impact, community spanning, international journal publishing work of the highest quality in the broad fields of physical chemistry, chemical physics and biophysical chemistry.

Deadline for Submissions: 27^th September 2013

Manuscripts can be submitted in any reasonable format using our online submissions service
Submissions should be high quality manuscripts of original, unpublished research and must contain new physical insight
Communications and full papers can be submitted for consideration, which will be subject to rigorous peer review
Please indicate upon submission that your manuscript is intended for this themed issue

Please contact the PCCP Editorial Office to let us know you plan to contribute an article.

The young interdisciplinary science of Astrochemistry, lying at the interface of Astronomy, Astrophysics, Physics and Chemistry, has become a critical science in not only elucidating the products, mechanisms and rates of the chemistry that dominates the Universe but also for determining the physical properties of the molecular gas clouds that form stars and planets. Therefore, it is timely to publish a themed collection in PCCP on this emerging and exciting area of research. It is envisaged that the themed collection will bring together work from leading computational and experimental scientists, astronomers, chemists and biologists that addresses the cyclic role of dust in the chemical evolution of the Universe.

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