Journal cover: Physical Chemistry Chemical Physics

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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Ibraheem Haies, James Jarvis, Harry Bentley, Ivo Heinmaa, Ilya Kuprov, Phil Williamson and Marina Carravetta
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP03994G, Paper
Overtone 14N NMR spectroscopy is a promising route for the direct detection of 14N signals with good spectral resolution. Its application is currently limited however, by the absence of efficient...
 
Sasikala Rajamma, Archana P Gaikwad, V Sudarsan, Rekha Rao, Jagannath J, Bathula Vishwanadh and shyamala r bharadwaj
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP06105E, Paper
A stable photocatalyst, CdS dispersed on zeolite with Pd as both dopant and co-catalyst, has been developed. Enhancement of photocatalytic activity for hydrogen generation is observed for CdS when doped...
 
Hiromi Okamoto, Tetsuya Narushima, Yoshio Nishiyama and Kohei Imura
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05951D, Perspective
The unique optical characteristics of noble metal nanostructures have their origin principally in surface plasmon resonances. To exploit and design the unique characteristics arising from plasmons, an investigation of optical...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05864J, Paper
High-quality winkled and few-layered graphene sheets have been produced via a mechano-thermal exfoliation process for a simple, effective and low-cost mass production in which the graphene sheets were produced by...
 
Gergely Matisz, Anne-Marie Kelterer, Walter Fabian and Sandor Kunsagi-Mate
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05836D, Paper
From themed collection Bunsentagung 2015: Solvation Science
Density functional theory (B3LYP-D3, M06-2X) has been used to calculated the structures, interaction energies and vibrational frequencies of a set of 93 methanol-water clusters of different type (cubic, ring, spiro,...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05645K, Paper
We report the results of theoretical calculations on the optimized structures and relative energies between the D4d and D2 symmetries structures for double-decker type phthalocyanine compounds, Ti(Pc)2, Ti(Pc)2+, Sn(Pc)2, Sn(Pc)2+,...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05206D, Paper
Organic materials are of interest as ion battery cathode materials because they offer advantages over inorganic cathodes such as abundant resources and a low ecological footprint. However, they suffer from...
 
chen chen, jinyang Li, li Wang, Dan-Feng Lu and zhimei qi
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05092D, Paper
Kretschmann-type waveguide structures, including Plasmon Waveguide (PW) and Resonant Mirror (RM), have been applied to interfacial Raman spectroscopy because of the following unique features: (1) unlike the classic surface enhanced...
 
Suitao Qi, Jiaqi Yue, Hao Chen, Yingying Li, Chunhai Yi and Bolun Yang
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP04992F, Paper
WC-doped Ni over active carbon catalyst (Ni-WC/AC) prepared by incipient wetness impregnation, is proposed as an anode for an amplified electrochemical oxidation of glucose in 0.1 M KOH solution. Cyclic...
 
Krystyna Kolwas, Maciej Kolwas, Giennadiy Derkachov and Daniel Jakubczyk
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00013K, Paper
Evaporation of a single, levitating microdroplet of glycols containing SiO2 nanospheres, both of similar refraction indexes, was studied by observing changes in the interference pattern and intensities of polarized and...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05995F, Communication
Nitrogen-doped carbon nanoparticles were synthesized via a solution plasma process, with acrylonitrile as a single-source precursor, followed by a post-thermal annealing process. The nitrogen-bonding states can be tuned by varying...
 
Yu Lei, Bin Liu, Junling Lu, Xiao Lin, Li Gao, Nathan Guisinger, Jeffrey P. Greeley and Jeffrey W Elam
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05761A, Paper
The adsorption of palladium hexafluoracetylacetone (Pd(hfac)2) and nucleation of Pd nanoparticles on TiO2(110) surface were observed using scanning tunneling microscopy (STM). Surface species of Pd(hfac)* and Ti(hfac)* uniformly adsorbed on...
 
Haifeng Yuan, Alexander Gaiduk, Joanna Siekierzycka, Satoru Fujiyoshi, Michio Matsushita, Daniel Nettels, Ben Schuler, Claus Seidel and Michel Orrit
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05486E, Paper
Our previous temperature-cycle study reported FRET transitions between different states on FRET-labeled polyprolines [Yuan et al., PCCP, 2011, 13, 1762]. The conformational origin of such transitions, however, was left open....
 
Roberto Pilot, Angela Zoppi, Silvana Trigari, Leonard Deepak Francis, emilia giorgetti and R Bozio
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP04453C, Paper
This study provides a combined theoretical and experimental analysis of the far-field (extinction) and of the near-field (SERS enhancement) spectral distribution in hollow nanoparticles, that is silver-gold nanocages (NCs). Chitosan...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05574H, Paper
Interaction of a potential chloride channel blocker, 9-methyl anthroate (9-MA) has been studied with zwitterionic L-α-phosphatidylcholine (egg-PC) lipid vesicles, which ascertains the utility of the drug as an efficient molecular...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05192K, Paper
We present an accelerated ab-initio path-integral molecular dynamics technique, where the interatomic forces are calculated ``on-the-fly'' by accurate coupled cluster electronic structure calculations. In this way not only dynamic electron...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00026B, Paper
In the present work, we have studied the gas phase one- and two-photon absorption (OPA and TPA) properties of first two excited states of triply twisted Möbius annulene molecule (G....
 
Liangfu He, Zhuoyu Ji, Yonggang Zhen, Jie Liu, Fangxu Yang, Qiang Zhao, huanli dong and Wenping Hu
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP06064D, Communication
Using single-displacement controlled spontaneous electrolysis solution-prepared CuTCNQ microribbons as the source/drain electrodes, we fabricate 9, 10–bis(2-phenylethynyl)anthracene (BEPA) based organic single crystal top-contact field-effect transistors. The interfacial energetic match between organic...
 
Zhenshan Hou, Li Guo, Ran Zhang, Chen Chen, Angjun Chen, Jizhang Chen, Zhao Xiuge, Xuerui Liu and Yuhe Xiu
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05733C, Paper
Metal nanoparticles embedded in hollow materials are important due to their wide application in catalysis. In this work, we disclosed a nontraditional synthetic pathway to prepare silica hollow nanospheres by...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C4CP05549G, Paper
Motivated by recent experimental and theoretical efforts to achieve sub-femtosecond structural resolution in various molecular systems, we have performed a femtosecond quantum nuclear dynamics study of the water cation in...
 
Antonino Gulino, Giuseppe Maccarrone and Salvatrice Millesi
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00169B, Paper
Molecular monolayers and similar nanoarchitectures represent a promising future of the nanotechnology. Many of these systems behave as stimuli responsive materials since they undergo readable changes upon external stimuli. Therefore,...
 
Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP00053J, Paper
We study the charge transport properties of triangular quantum dot molecule (TQDM) connected to metallic electrodes, taking into account all correlation functions and relevant charging states. The quantum interference (QI)...
 
Anubhav Jain, Geoffroy Hautier, Shyue Ping Ong, Stephen Dacek and Gerbrand Ceder
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00250H, Paper
High voltage and high thermal safety are desirable characteristics of cathode materials, but difficult to achieve simultaneously DFT calculations on >1400 Li ion battery cathode materials indicate a complex inverse relationship between voltage and thermal safety.
 
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP05328A, Paper
The metal coordination, geometry of the in-plane network, and electronic properties of 2D M3(HITP)2 Kagome lattices are modified by metal substitution.
 
Abdullahil Kafy, Kishor Kumar Sadasivuni, Hyun-Chan Kim, Asma Akther and Jaehwan Kim
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C4CP05921B, Paper
The demand for flexible energy storage devices is ever increasing, and several polymer nanocomposites are widely used to fabricate them.
 

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