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/C4CP02823F, Paper
Dynamics of water in bulk and ionic hydration shells in aqueous ionic solutions are different due to the local environments as can be expected. However, direct measurements of the dynamics...
 
reza zamiri, Hossein Abbastabar Ahangar, David Maria Tobaldi, Avito Rebelo, M.P. Seabra Seabra, M. Shabani and José M. F. Ferreira
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02945C, Paper
ZnO/ZnS/Ag2S ternary nanostructure was prepared by a simple and low-cost chemical precipitation method. The sample was characterised by X-ray diffraction, energy-dispersive X-ray, UV-Vis-NIR, and Raman and Fourier transform infrared spectroscopy....
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03583F, Paper
This paper reports the influence of surface defects on the photocatalytic degradation of methylene blue (MB) for zinc oxide (ZnO) nanocrystals (NCs) synthesized in different organic solvents. A simple chemical...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP01657B, Paper
Atomic detail mechanism of guanidinium induced unfolding of a protein ubiquitin have been explored from all atom molecular dynamics simulation. Ubiquitin unfolds through pre-unfolded (intermediate) states i.e. guanidinium induced unfolding...
 
Zhe Peng, Arnaud Morin , Patrice Huguet, Yannick Lanteri and STEFANO DEABATE
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02777A, Paper
New bi-layer PFSA membranes made of Nafion® NRE212 and AquivionTM E79-05s with different equivalent weights are prepared with the aim of managing water repartition in the PEMFC. The membrane water...
 
Deya Das, Sang Soo Han, Kwang-Ryeol Lee and Abhishek Kumar Singh
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03251A, Paper
Reduction of diffusion energy barrier for Li in electrodes is one of the required criteria to achieve better performances in Li ion battery. Using density functional theory based calculations, we...
 
Liming Yang, Kui Xie, Lan Wu, Qingqing Qin, Jun Zhang, Yong Zhang, Ting Xie and Yecheng Wu
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02229G, Paper
Composite cathode based on redox-stable La0.2Sr0.8TiO3+δ (LSTO) can perform direct carbon dioxide electrolysis; however, the insufficient electro-catalytic activity limits the electrode performances and current efficiencies. In this work, catalytic-active scandium...
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP03151B, Perspective
A brief overview is presented on recent progress in mechanistic studies of formic acid oxidation, synthesis of novel Pd- and Pt-based nanocatalysts and their practical applications in direct formic acid fuel cells.
 
Ganesh Kamath, Badri Narayanan and Subramanian K. R. S. Sankaranarayanan
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02840F, Communication
Ionic liquids are superior electrolytes for Al-ion batteries in comparison to traditional non-aqueous carbonates.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02863E, Communication
DFT calculations show that Pt-shelled catalysts by subsurface alloying could be very active for oxygen reduction reaction.
 
Dariusz W. Szczepanik, Marcin Andrzejak, Karol Dyduch, Emil Żak, Marcin Makowski, Grzegorz Mazur and Janusz Mrozek
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02932A, Paper
A novel method for investigating the multicenter bonding patterns in molecular systems by means of the so-called Electron Density of Delocalized Bonds (EDDB) is introduced and discussed.
 
Luca Sementa, Giovanni Barcaro, Fabio R. Negreiros and Alessandro Fortunelli
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02135E, Paper
From themed collection Size Selected Clusters and Particles: From Physical Chemistry to Catalysis
The Ag3(CO3)/MgO(100) complex transforms in the presence of NO and O2 into a highly active Ag3(CO3) (NO2)2/MgO(100) NOox catalyst.
 
Tianshan Zhao, Shunhong Zhang, Qian Wang, Yoshiyuki Kawazoe and Puru Jena
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02758B, Paper
Functionalized silicene with magnetic superhalogens has potential to be a magnetic half-metal.
 
Fangping Ouyang, Shenglin Peng, Zhixiong Yang, Yu Chen, Hui Zou and Xiang Xiong
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02090A, Paper
The bandgap opening/closing of graphene antidot lattices results from intervalley scattering and broken symmetry of the (sublattices) pseudospin.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02201G, Communication
The photocatalytic activity difference of anatase, rutile and brookite TiO2 is first explained by their band structure and effective mass.
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02850C, Paper
Polarization correction enables inferring true cross-sections of globular ions from electrical mobility measurements performed in air and carbon dioxide over a wide temperature range (20–100 °C).
 
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02662D, Paper
With the consideration of the stability and cost, we found that the Fe, Co, Ni, Cu, Ru, Ir atoms have lower price than the Pd and favor at the core even with O adatom at the surface. The formed M@Pd core–shell nanowires are active for O2 dissociation with activation barriers no larger than 0.25 eV.
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02499K, Paper
Density functional theory (DFT) calculations with local spin density discrimination have been performed to exam the effect of atomic under-coordination on the catalytic and magnetic properties of Cuboctahedral (CO) and...
 
Marcello Antonio Budroni, Lorena Lemaigre, Anne De Wit and Fedrerico Rossi
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02196G, Paper
Cross-diffusion phenomena are shown experimentally to be able to induce convective fingering around an initially statically stable stratification of two microemulsions having a different composition. Upon diffusion of a salt...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03653K, Paper
The heterocyclic ring-opening dynamics of thiophenone and furanone dissolved in CH3CN have been probed by ultrafast transient infrared spectroscopy. Following irradiation at 267 nm (thiophenone) or 225 nm (furanone), prompt...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02600D, Paper
Increasing applications of ionic liquids and their analogues namely Deep Eutectic Solvents (DES), requires further investigation into the effect of moisture content on the physico-chemical characteristics of these fluids. Although...
 
Qiuli Liu, Upendra Joshi, Kevin Uber and John Regalbuto
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02714K, Communication
From themed collection Size Selected Clusters and Particles: From Physical Chemistry to Catalysis
Supported Ru and Pt nanoparticles are synthesized by the method of Strong Electrostatic Adsorption and subsequently treated under different conditions to achieve series of catalysts with controlled particle sizes, ranging...
 
Xi Zhang, Yongli Huang, Zengsheng Ma, Yichun Zhou, Wei Tao Zheng, Ji Zhou and Chang Qing Sun
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP02516D, Paper
Consistency in experimental observations, numerical calculations, and theoretical predictions revealed that skins of water and ice share the same attribute of supersolidity that is characterized by the identical H-O vibration...
 
Sneha A. Akhade, Wenjia Luo, Xiaowa Nie, Nicole Jeanette Bernstein, Aravind Asthagiri and Michael John Janik
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03340J, Communication
Copper cathodes, at sufficiently negative potentials, are selective for hydrocarbon production during the electrochemical reduction of carbon dioxide. Other metals, such as Pt, Fe, Ni and Co, produce low to...
 
Phys. Chem. Chem. Phys., 2014, Accepted Manuscript
DOI: 10.1039/C4CP03036B, Paper
In this work we present results from relativistic DFT calculations of magnetic moments for manganese inserted into a gold ring (Mn@Au6) or cage-like structure (Mn@Au12) both pristine and n-thiolated. Optimization...
 

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