Journal cover: Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.
Impact Factor 3.829 48 Issues per Year Indexed in MEDLINE
 
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Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02726D, Paper
The hydrogen storage of Ti functionalized carbon nanocone and carbon nanocone sheet is investigated by using the state of the art density functional theory calculations. The Ti atom prefers to...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02089H, Communication
Semiconducting conjugated polymers such as (3-hexylthiophene) (P3HT) and carbon nanotubes are attractive for applications that include field-effect transistors and photovoltaic devices. In these applications, the control of structure, morphology, and...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02919D, Paper
A combination of absorption and fluorescence spectroscopic studies with isothermal calorimetric titrations and stopped-flow measurements is a powerful way to reveal the thermodynamics and kinetics of inclusion complex formation with...
 
Yunxia Li, Yanyan Zhu, Donghui Wei, Wenjing Zhang, Yingying Ran, Qilin Zhao and Mingsheng Tang
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02186J, Paper
Reaction mechanisms of the N-heterocyclic carbene (NHC)-catalyzed dimerization of methyl methacrylate were studied using density functional theory (DFT) at the M05-2X/6-31G(d,p) level of theory. Four possible reaction channels (A, B,...
 
Antal Adolf Koos, Adrian T Murdock, Peter Nemes-Incze, Rebecca J Nicholls, Andrew John Pollard, Steve Spencer, Alex G Shard, Debdulal Roy, László Péter Biró and Nicole Grobert
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02132K, Paper
We doped graphene in situ during synthesis from methane and ammonia on copper in a low-pressure chemical vapour deposition system, and investigated the effect of the synthesis temperature and ammonia...
 
Kiril Kirievsky, Maxim Shlimovich, David Fuks and Yaniv Gelbstein
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02868F, Paper
Novel approaches for development of highly efficient thermoelectric materials capable of a direct conversion of heat into electricity, are constantly investigated. TiNiSn based half Heusler alloys exhibit a high thermoelectric...
 
Chen Lei, Zhihua Yang, Bingbing Zhang, Ming-Hsien Lee, Qun Jing, Zhaohui Chen, Xuchu Huang, Ying Wang, ShiLie Pan and Muhammad Ramzan Saeed Ashraf Janjua
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02539C, Paper
In this research work, a potential semiorganic nonlinear optical candidate NH4B[D-(+)-C4H4O5)]2•H2O (NBC) has been studied by means of Density Functional Theory. The origin of second harmonic generation (SHG) effect of...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02736A, Paper
CuGaSe2 is an important none-layered I-III-VI2compound with superior optical properties. In this work, monocrystal two-dimensional (2D) CuGaSe2 nanosheets were successfully synthesized via a simple solid-state reaction. Electronic and optoelectronic properties...
 
Ashok Kumar, Doug Banyai, P. K. Ahluwalia, Ravi Pandey and Shashi Karna
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02128B, Paper
Stability, electronic structure, and electron transport properties of metallic monoatomic wires anchored on the MoS2 monolayer are investigated within density functional theory method. Anchoring of the atomic wires on the...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03168G, Communication
Both sides of a graphene oxide (ai-GO) layer are decorated with functional groups. For the first time it is demonstrated that an effective reduction of ai-GO to graphene can be...
 
Götz Bucher, Roger Bresolí-Obach, Carme Brosa, Cristina Flors, Javier G. Luis, Teresa A. Grillo and Santi Nonell
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02783C, Paper
β-Phenyl quenching of 9-phenylphenalenones leads to the reversible formation of naphthoxanthenes and eventually to stable naphthoxanthenyl radicals or naphthoxanthenium cations.
 
Sojiro Minami, Marina Ide, Koji Hirano, Tetsuya Satoh, Tsuneaki Sakurai, Kenichi Kato, Masaki Takata, Shu Seki and Masahiro Miura
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03002H, Paper
A temperature/phase-dependent charge carrier mobility profile involving 3-fold increment in the five-ring compound is demonstrated.
 
Yuting Peng, Congxin Xia, Heng Zhang, Tianxing Wang, Shuyi Wei and Yu Jia
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02880E, Paper
In the Mg-doped GaS and GaSe nanosheets, the transition levels decrease monotonously with increase in Mg doping concentrations.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02657H, Paper
Optical properties of silicon quantum dots (Si QDs) are greatly influenced by their size and surface chemistry.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP01456A, Communication
Ultrafast single electron transfer producing a radical pair governs the formation of a σ-complex in gas-phase electrophilic aromatic substitution reactions.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02723J, Paper
Thermal treatments under vacuum and oxygen induce reversible modifications in the stoichiometry, surface morphology and structure of epitaxial CeO2 films.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02220C, Paper
Common carbon blacks and poly(vinyl alcohol) binder serve as backbone structure in high-performance sulfur cathodes with a loading of 2 mg(S) cm−2.
 
Piotr Lodowski, Maria Jaworska, Tadeusz Andruniów, Brady D. Garabato and Pawel M. Kozlowski
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02465F, Communication
To explain the photostability of vitamin B12, internal conversion of the S1 state was investigated using TD-DFT.
 
Swetha S. M. Bhat, Ashfia Huq, Diptikanta Swain, Chandrabhas Narayana and Nalini G. Sundaram
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02176B, Paper
K+ ion substitution in Na site of NaNdW2O8 results in blue shift, inhomogeneous broadening and enhanced photoluminescent intensity. Nd–O–W bond angle, local disorder and difference in ionic radius are responsible for the observed difference in photoluminescence properties.
 
Sébastien Maron, Géraldine Dantelle, Thierry Gacoin and François Devreux
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02628D, Paper
The variations of the 31P relaxation rate and of a cell parameter show that nuclear relaxation is much more reliable than X-ray to determine low concentrations of magnetic doping ions.
 
Junling Che, Huaibin Zheng, Zhaoyang Zhang, Xin Yao, Cheng Li, Zhenkun Wu and Yanpeng Zhang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02560A, Paper
We report for the first time the theoretical and experimental research on Rydberg electromagnetically induced transparency and second-order fluorescence dressing evolution by Rabi frequency control in thermal atomic vapors, in which the controlled results are well explained by the dressing effect and the Rydberg excitation blockade.
 
Petr Neugebauer, Jan G. Krummenacker, Vasyl P. Denysenkov, Christina Helmling, Claudio Luchinat, Giacomo Parigi and Thomas F. Prisner
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02451F, Paper
Dynamic nuclear polarization and NMR relaxation dispersion measurements have been performed on liquid solutions of TEMPOL radicals in solvents with different viscosities at a high magnetic field of 9.2 T. The results indicate that fast dynamics significantly contribute to DNP enhancements at high fields.
 
Jean Ann Wyer, Mads Bejder Kristensen, Nykola C. Jones, Søren Vrønning Hoffmann and Steen Brøndsted Nielsen
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02252A, Paper
A-tracts (AAAA…:TTTT…) form much faster than AT-tracks (ATAT…:TATA…).
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03329A, Communication
The degradation mechanism of hydrocarbon ion exchange membranes under vanadium flow battery (VFB) medium was investigated and clarified for the first time. This work will be highly beneficial to improving...
 
Christopher Alan Downing, Alexey A Sokol and C Richard A Catlow
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02610A, Paper
We investigate the reactivity to H2 of a chemisorbed CO2 species at electron traps on oxide surfaces, taking the single electron F+ oxygen vacancy of the MgO (100) terrace as...
 

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