These articles are HOT as recommended by the referees…
You can take a look at the excellent articles we have selected this week by clicking on the links below:
14 N solid-state NMR: a sensitive probe of the local order in zeolites
Eddy Dib, Tzonka Mineva, Philippe Gaveau and Bruno Alonso
DOI: 10.1039/C3CP51845K
Manipulating spin hyper-polarization by means of adiabatic switching of a spin-locking RF-field
Alexey S. Kiryutin, Konstantin L. Ivanov, Alexandra V. Yurkovskaya, Hans-Martin Vieth and Nikita N. Lukzen
DOI: 10.1039/C3CP52061G
These articles are HOT as recommended by the referees…
You can take a look at the excellent articles we have selected this week by clicking on the links below:
DNA photoreacts by nucleobase ring cleavage to form labile isocyanates
Laura Buschhaus, Josefin Rolf and Karl Kleinermanns
DOI: 10.1039/C3CP51552D
Emerging applications of conjugated polymers in molecular imaging
Junwei Li, Jie Liu, Chen-Wei Wei, Bin Liu, Matthew O’Donnell and Xiaohu Gao
DOI: 10.1039/C3CP51763B
Sensitized excited free-radical processes as read–write tools: impact on non-linear lithographic processes
Stefania Impellizzeri, Kevin G. Stamplecoskie and Juan. C. Scaiano
DOI: 10.1039/C3CP51723C
The first mobile phone battery to be directly charged by microbial fuel cells feeding on neat urine has been reported by scientists in the UK.Back in 2011 we covered the urine-powered fuels cells being developed by Ioannis Ieropoulos and colleagues at Bristol Robotics Laboratory. They had shown that urine was an excellent fuel for direct electricity generation. As a bonus, the cells can reclaim essential nutrients from the urine, making wastewater treatment easier.
Interested to know more?
Read the article in PCCP:
Waste to Real Energy: the first MFC powered mobile phone
Ioannis Ieropoulos, Pablo Ledezma, Andrew Stinchcombe, George Papaharalabos, Chris Melhuish and John Greenman
Phys. Chem. Chem. Phys., 2013, Accepted Manuscript
DOI: 10.1039/C3CP52889H
Electrocatalysis – fundamental insights for sustainable energy
Guest Editors: Marc Koper (Leiden University) and Yasuhiro Iwasawa (The University of Tokyo)
PCCP is delighted to announce a high-profile themed issue ‘Electrocatalysis – fundamental insights for sustainable energy’. This will be guest edited by Marc Koper (Leiden University) and Yasuhiro Iwasawa (The University of Tokyo). The themed issue will be published in Physical Chemistry Chemical Physics (PCCP) in 2014.
With the projected future “electrification” of our society through solar and wind power, the conversion of electricity to chemical bonds and vice versa will be an essential field of physical chemistry in the decades to come. Basic fundamental understanding of these processes, both in model studies and at a more device level, requires detailed quantitative physical-chemistry approaches. This themed issue will deal with the physical chemistry approach to electrocatalysis, balancing fundamental and more applied studies, and aims to have a significant impact on the future directions of this important field.
Please contact the PCCP Editorial Office (pccp-rsc@rsc.org) if you are interested in contributing to this themed issue. The deadline for submissions to this themed issue is the 17th January 2014.
PCCP is a sister journal to Catalysis Science and Technology. Catalysis Science & Technology brings together the best quality research from the heterogeneous, homogeneous, organocatalysis and bio-catalysis communities.
We thought you might be interested to read these recent articles published in Catalysis Science & Technology in the area of electrocatalysis:
Electrocatalytic effect of ZnO nanoparticles on reduction of nitroaromatic compounds
Her Shuang Toh, Adriano Ambrosi and Martin Pumera
Catal. Sci. Technol., 2013,3, 123-127
DOI: 10.1039/C2CY20253K, Paper
Recent progress in the electrochemical conversion and utilization of CO2
Neil S. Spinner, Jose A. Vega and William E. Mustain
Catal. Sci. Technol., 2012,2, 19-28
DOI: 10.1039/C1CY00314C, Perspective
Graphene support for enhanced electrocatalytic activity of Pd for alcohol oxidation
Ravindra Nath Singh and Rahul Awasthi
Catal. Sci. Technol., 2011,1, 778-783
DOI: 10.1039/C1CY00021G, Paper
Shape-controlled synthesis of Pt nanostructures and evaluation of catalytic and electrocatalytic performance
Sourov Ghosh and C. Retna Raj
Catal. Sci. Technol., 2013,3, 1078-1085
DOI: 10.1039/C2CY20652H, Paper
The following articles in PCCP were the top 25 most accessed from April – June:
Plasmonic photocatalysts: harvesting visible light with noble metal nanoparticles
Peng Wang, Baibiao Huang, Ying Dai and Myung-Hwan Whangbo
Phys. Chem. Chem. Phys., 2012,14, 9813-9825
DOI: 10.1039/C2CP40823F
Effect of multilayer structure on cyclic performance of Si/Fe anode electrode in Lithium-ion secondary batteries
Hee-Kook Kang, Seong-Rae Lee, Won Il Cho and Byung Won Cho
Phys. Chem. Chem. Phys., 2013,15, 1569-1577
DOI: 10.1039/C2CP42824E
Octahedral Co3O4 particles threaded by carbon nanotube arrays as integrated structure anodes for lithium ion batteries
Guangmin Zhou, Lu Li, Qiang Zhang, Na Li and Feng Li
Phys. Chem. Chem. Phys., 2013,15, 5582-5587
DOI: 10.1039/C3CP50221J
Oxygen vacancy formation in CeO2 and Ce1-x Zr x O2 solid solutions: electron localization, electrostatic potential and structural relaxation
Hai-Feng Wang, Hui-Ying Li, Xue-Qing Gong, Yang-Long Guo, Guan-Zhong Lu and P. Hu
Phys. Chem. Chem. Phys., 2012,14, 16521-16535
DOI: 10.1039/C2CP42220D
MnFe2O4–graphene nanocomposites with enhanced performances as anode materials for Li-ion batteries
Yinglin Xiao, Jiantao Zai, Liqi Tao, Bo Li, Qianyan Han, Chao Yu and Xuefeng Qian
Phys. Chem. Chem. Phys., 2013,15, 3939-3945 D
DOI: 10.1039/C3CP50220A
Double layer, diluent and anode effects upon the electrodeposition of aluminium from chloroaluminate based ionic liquids
Andrew P. Abbott, Fulian Qiu, Hadi M. A. Abood, M. Rostom Ali and Karl S. Ryder
Phys. Chem. Chem. Phys., 2010,12, 1862-1872
DOI: 10.1039/B917351J
Hydrothermal carbon-based nanostructured hollow spheres as electrode materials for high-power lithium–sulfur batteries
Nicolas Brun, Ken Sakaushi, Linghui Yu, Lars Giebeler, Jürgen Eckert and Magdalena M. Titirici
Phys. Chem. Chem. Phys., 2013,15, 6080-6087
DOI: 10.1039/C3CP50653C
Single nanoparticle plasmonics
Emilie Ringe, Bhavya Sharma, Anne-Isabelle Henry, Laurence D. Marks and Richard P. Van Duyne
Phys. Chem. Chem. Phys., 2013,15, 4110-4129
DOI: 10.1039/C3CP44574G
On the different roles of anions and cations in the solvation of enzymes in ionic liquids
Marco Klähn, Geraldine S. Lim, Abirami Seduraman and Ping Wu
Phys. Chem. Chem. Phys., 2011,13, 1649-1662
DOI: 10.1039/C0CP01509A
Role of aromatic residues in amyloid fibril formation of human calcitonin by solid-state 13C NMR and molecular dynamics simulation
Hikari Itoh-Watanabe, Miya Kamihira-Ishijima, Namsrai Javkhlantugs, Ryozo Inoue, Yuki Itoh, Hiroshi Endo, Satoru Tuzi, Hazime Saitô, Kazuyoshi Ueda and Akira Naito
Phys. Chem. Chem. Phys., 2013,15, 8890-8901
DOI: 10.1039/C3CP44544E
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
Air and water stable ionic liquids in physical chemistry
Frank Endres and Sherif Zein El Abedin
Phys. Chem. Chem. Phys., 2006,8, 2101-2116
DOI: 10.1039/B600519P
Medical applications of surface-enhanced Raman scattering
Wei Xie and Sebastian Schlücker
Phys. Chem. Chem. Phys., 2013,15, 5329-5344
DOI: 10.1039/C3CP43858A
Plasmon enhanced spectroscopy
Ricardo F. Aroca
Phys. Chem. Chem. Phys., 2013,15, 5355-5363
DOI: 10.1039/C3CP44103B
High electrochemical performance based on ultrathin porous CuO nanobelts grown on Cu substrate as integrated electrode
Xiaojun Zhang, Liutao Yu, Lingling Wang, Rong Ji, Guangfeng Wang and Baoyou Geng
Phys. Chem. Chem. Phys., 2013,15, 521-525
DOI: 10.1039/C2CP43501B
Theoretical modelling of the low quantum yield observed in an Eu(III) triple helical complex with a tridentate aromatic ligand
F. R. Gonçalves e Silva, R. Longo, O. L. Malta, C. Piguet and J.-C. G. Bünzli
Phys. Chem. Chem. Phys., 2000,2, 5400-5403
DOI: 10.1039/B005624N
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
Towards low-cost flexible substrates for nanoplasmonic sensing
Lakshminarayana Polavarapu and Luis M. Liz-Marzán
Phys. Chem. Chem. Phys., 2013,15, 5288-5300
DOI: 10.1039/C2CP43642F
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
Enhanced photocatalytic activity and structural stability by hybridizing Ag3PO4 nanospheres with graphene oxide sheets
Qinghua Liang, Yao Shi, Wangjing Ma, Zhi Li and Xinmin Yang
Phys. Chem. Chem. Phys., 2012,14, 15657-15665
DOI: 10.1039/C2CP42465G
SERS reveals the specific interaction of silver and gold nanoparticles with hemoglobin and red blood cell components
Daniela Drescher, Tina Büchner, Don McNaughton and Janina Kneipp
Phys. Chem. Chem. Phys., 2013,15, 5364-5373
DOI: 10.1039/C3CP43883J
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On behalf of the Editorial Board of PCCP, we invite you to submit your best research to us today!
Scientists at the Bristol Robotics Laboratory, have demonstrated that a commercially available mobile phone can be charged and powered with urine.
The availability of energy for communication when in remote areas can be a big problem. If you could charge your phone with your own readily available urine, the worry of running out of phone battery in a difficult situation is solved. This research also opens up lots of possibilities for the utilisation of waste for useful energy. The authors of this research told UWE News that they think their technology could be installed into domestic bathrooms to harness the urine and produce sufficient electricity to power showers, lighting or razors as well as mobile phones.
Microbial Fuel Cells use live microorganisms to turn organic matter into electricity. The group created a membrane-less microbial fuel cell, which was made out of ceramic material and used carbon-based electrodes.
Read the story in UWE Bristol News here…
Find out more about how this amazing microbial fuel cell works in the article recently published in PCCP:
Waste to Real Energy: the first MFC powered mobile phone
Ioannis Ieropoulos, Pablo Ledezma, Andrew Stinchcombe, George Papaharalabos, Chris Melhuish and John Greenman
DOI: 10.1039/C3CP52889H
PCCP was delighted to sponser a poster prize at the International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC), which was held in Lille, France, on the 2-5th July 2013.
The selection committe, supervised by Helen J Fraser of The Open University, UK, chose Yansel Omar Guerrero Martinez, from INSTEC, Cuba, as the winner of the PCCP IMAMPC 2013 Best Poster Prize.
PCCP Poster prize winner at IMAMPC 2013: Yansel Omar Guerrero Martinez, INSTEC, Cuba
Poster award ceremony at IMAMPC
More about the winning poster…
Title: Development and application of a polarizable force-field for halides counter anions and lanthanides cations in aqueous solution
Coworkers:
YANSEL OMAR GUERRERO MARTÍNEZ (1), FLORENT RÉAL, VALÉRIE VALLET (2), BERND
SCHIMMELPFENNIG, MICHAEL TRUMM(3), AND MICHEL MASELLA (4)
(1) Instituto Superior de Tecnologías y Ciencias Aplicadas.(INSTEC). Ave. Salvador Ayende, esq. Luaces. Quinta de los molinos. La Habana. Cuba
(2) Université Lille 1 (Sciences et Technologies), Laboratoire PhLAM, CNRS UMR 8523, CERLA, CNRS FR 2416, Bât P5, F-59655 Villeneuve d’Ascq Cedex, France
(3) Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT), Postfach 3640, D-76021 Karlsruhe, Germany
(4) Laboratoire de Chimie du Vivant, Service d’ingénierie moléculaire des protéines, Institut de biologie et de technologies de Saclay, CEA Saclay, F-91191 Gif sur Yvette Cedex, France
Abstract:
The hydration of transition metals, lanthanides (Ln) and actinides (An) in aqueous solution is a topic that attracts the attention of many scientists as this process is of relevance to environmental problems and medicinal applications. Actinides have an environmental and toxicological interest since they are nuclear fuel wastes with both chemical and radiochemical toxicity, becoming extremely difficult to handle it from experimental point of view. In this context, a more quantitative use of the Ln/An analogy is desirable to develop theoretical approaches capable of reproduce the experimental data existing for the former and capable of predict macroscopic properties in the solvation of the latter.
In order to investigate hydration of lanthanide/actinide and halides counter ions[1], one of our goal is to develop a polarizable force-field model adjusted on state-of-the art ab initio calculations[1, 2, 3]. Another goal is to discuss the accuracy of the model by investigating the impact of the parametrization uncertainties in the bulk water model and in the metal-water interaction model on the molecular simulation results.
These articles are HOT as recommended by the referees…
You can take a look at the excellent articles we have selected this week by clicking on the links below:
Perspectives
Prospects for graphene–nanoparticle-based hybrid sensors
Perry T. Yin, Tae-Hyung Kim, Jeong-Woo Choi and Ki-Bum Lee
DOI: 10.1039/C3CP51901E
Original research
Efficient solar water oxidation using photovoltaic devices functionalized with earth-abundant oxygen evolving catalysts
Vito Cristino, Serena Berardi, Stefano Caramori, Roberto Argazzi, Stefano Carli, Laura Meda, Alessandra Tacca and Carlo Alberto Bignozzi
DOI: 10.1039/C3CP52237G
Linking electronic and molecular structure: insight into aqueous chloride solvation
Ling Ge, Leonardo Bernasconi and Patricia Hunt
DOI: 10.1039/C3CP50652E
Photodissociation dynamics of fulvenallene, C7H6
Jens Giegerich and Ingo Fischer
DOI: 10.1039/C3CP52274A
These articles are HOT as recommended by the referees.
Take a look at these two exciting papers that were recently published in PCCP:
A microiterative intrinsic reaction coordinate method for large QM/MM systems
Iakov Polyak, Eliot Boulanger, Kakali Sen and Walter Thiel
DOI: 10.1039/C3CP51669E
First principles derived, transferable force fields for CO2 adsorption in Na-exchanged cationic zeolites
Hanjun Fang, Preeti Kamakoti, Peter I. Ravikovitch, Matthew Aronson, Charanjit Paur and David S. Sholl
DOI: 10.1039/C3CP52246F
Luke Crawford and Martina Stella with their PCCP poster prize certificates
PCCP was delighted to sponsor prizes for the two best graduate student poster presentations at the Theoretical Chemistry Group Conference 2013, which took place 24-26 June in Nottingham.
The prizes were awarded to Martina Stella (Bristol) for her poster entitled “A simple exact density functional theory embedding scheme” and Luke Crawford (St Andrews) for a poster entitled “New DFT insights into methyl propanoate formation at a palladium centre”.
Congratulations to them both!
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