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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.
Impact Factor 4.198 48 Issues per Year Indexed in Medline and Web of Science
 
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Fernando Vereda, Alberto Martin-Molina, Roque Hidalgo-Alvarez and Manuel Quesada-Perez
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01011J, Paper
We report experimental and simulation studies on specific ion phenomena in aqueous colloidal suspensions of positively charged, bare magnetite nanoparticles. Magnetite has the largest saturation magnetization among iron oxides and...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP02460A, Paper
Uniform one-dimensional defective La(OH)3 nanorods were synthesized by a facile, fast and scalable method. This simple method avoids treatment at high temperature, utility of surfactants or templates, and can be...
 
Andreas Wenge, Tolga Karsili, Javier D Rodriguez, michael cotterell, barbara marchetti, R N Dixon and Mike N R Ashfold
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01660F, Paper
We report a combination of experimental (velocity map imaging measurements of the methyl (Me) radical products) and ab initio electronic structure studies that explore the influence of substituents (Y) on...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05480F, Paper
Colloidal trivalent gallium (Ga) doped zinc oxide (ZnO) hexagonal nanocrystals have been prepared to introduce more carrier concentration into wide band gap ZnO. The dopant (Ga) modifies morphology and size...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01771H, Paper
Heat conduction of double-walled carbon nanotubes (DWCNTs) with intertube additional carbon atoms was investigated for the first time using molecular dynamics method. By analyzing the phonon vibrational density of states...
 
Hugo Filipe, Lennon Santos, Joao Prates-Ramalho, Maria João Moreno and Luis Loura
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01596K, Paper
A complete homologous series of fluorescent phosphatidylethanolamines (diCnPE), labelled at the head group with a 7-nitrobenz-2-oxa-1,3-diazo-4-yl- (NBD) fluorophore and inserted in 1-palmitoyl, 2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayers, was studied using atomistic molecular...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01274K, Paper
Dye-sensitized mesoporous TiO2 films have been widely applied in energy and environmental science related research fields. The interaction between accumulated electrons inside TiO2 and cations in the surrounding electrolyte at...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP02800K, Paper
Extensive development of new polymer and small molecule donors has helped produce a steady increase in the efficiency of organic photovoltaic (OPV) devices. However, OPV technology would also benefit from...
 
Haiping Wu, yan qian, Shaohua Lu, Erjun Kan, Ruifeng Lu, Kaiming Deng, Hui Wang and Yanming Ma
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01601K, Communication
Silicene, the buckled two-dimensional honeycomb structure of silicon, has been experimentally synthesized only on very few substrates. Besides, synthesizing silicene with Dirac point is another hot research area. However, only...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP02365C, Paper
We assessed the performance of a large variety of modern density functional theory approaches for the adsorption of carbon dioxide on molecular models of pyridinic N-doped graphene. Specifically, we selected...
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP01598G, Paper
Core–shell CdMoO4@CdS hollow microspheres, fabricated by a simple ion-exchange hydrothermal method, exhibit outstanding photocatalytic activity toward degradation of RhB dye solution.
 
K. Xerxes Steirer, Rebekah L. Garris, Jian V. Li, Michael J. Dzara, Paul F. Ndione, Kannan Ramanathan, Ingrid Repins, Glenn Teeter and Craig L. Perkins
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP01607J, Paper
Performance deficiencies from the too large conduction band offset between Cu2ZnSnSe4/ZnOS heterojunctions are abated by the inclusion of a co-solvent during aqueous growth of the buffer layer.
 
Pratik P. Dholabhai, Jeffery A. Aguiar, Longjia Wu, Terry G. Holesinger, Toshihiro Aoki, Ricardo H. R. Castro and Blas P. Uberuaga
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP02200B, Paper
Σ5 twist grain boundary plane in doped ceria with dopant–defect complexes.
 
Nicolas Candau, Laurent Chazeau, Jean-Marc Chenal, Catherine Gauthier, José Ferreira, Etienne Munch and Dominique Thiaudière
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00384A, Paper
The investigation on strain-induced crystallization, during complete cycles at high frequencies, highlighted for the first time the concomitant effects of the strain rate, memory of the chain alignment and self-heating.
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00775E, Paper
Two-dimensional (2D) transition metal carbides/nitrides Mn+1Xn labeled as MXenes are attracting increasing interest due to promising applications as Li-ion battery anodes and hybrid electro-chemical capacitors.
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP01789K, Communication
The two-dimensional porous C2N sheet exhibits an extremely high selectivity and large permeance in favour of H2 among other atmospheric gases.
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00960J, Paper
Electron transfer in truncated hemoglobin depends on the SAMs it is attached to demonstrating a new type of electronic responsivity.
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP02194D, Paper
Two new D-π-A zinc porphyrin dyes with thiophene and furan π-bridges have been synthesized and employed in dye-sensitized solar cells (DSSC). Here, the triphenylamine (TPA) moiety was used as the...
 
Marlena Lukomska, Agnieszka Rybarczyk-Pirek, Miroslaw Jablonski and Marcin Palusiak
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP02148K, Paper
The nature of the NO-bond in the N-oxide group was investigated by means of combined theoretical calculations (including QTAIM and NBO approaches) and statistical analysis of the content of Crystal...
 
Xin Chen, Linyang Li and Mingwen Zhao
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00046G, Paper
Quantum spin Hall (QSH) effect is quite promising for applications in spintronics and quantum computations, but presently can only be achieved at ultralow temperature. Searching for large-gap QSH insulators is...
 
K. Mahjoubi, David Benoit, Nejm Eddine Jaidane, Majdi Hochlaf and Muneerah M. Al mogren
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01672J, Paper
Through benchmark studies, we explore the performance of PBE density functional theory, with and without Grimme’s dispersion correction (DFT-D3), in predicting spectroscopic properties for molecules interacting with rare gas matrices....
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01637A, Paper
The lack of some spatial symmetries in planar devices with Rashba spin-orbit interaction opens the possibility of producing spin polarized electrical currents in absence of external magnetic field or magnetic...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP02502H, Paper
The DFT+U methodology is regarded as one of the most-promising strategies to treat the solid state of molecular materials, as it may provide of good energetic accuracy at a moderate...
 
Alejandra García-Gómez, Gelines Moreno-Fernández, Belén Lobato and Teresa A. Centeno
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP01904D, Communication
The results obtained for binder-free electrodes made of carbon monoliths with narrow micropore size distributions confirm that the specific capacitance in the electrolyte (C2H5)4NBF4/acetonitrile does not depend significantly on the...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP02281A, Paper
Methyl benzoate (MB) is studied as a model compound for the development of new IR pulse schemes with possible applicability to biomolecules. Anharmonic vibrational modes of MB are calculated on...
 

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