Publishing: Journals, books and databases
Journal cover: Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.
Impact Factor 4.449 48 Issues per Year Indexed in Medline and Web of Science
 
  • Advance Articles
  • |
  • Accepted Manuscripts
  • |
  • All Recent Articles
Prev Pg 1 of 13 Next
Tao Li, Minkyu Kim, Rahul Rai, Zhu Liang, Aravind Asthagiri and Jason F. Weaver
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04195G, Paper
We investigated the molecular adsorption of methane, ethane, propane and n-butane on stoichiometric and oxygen-rich RuO2(110) surfaces using temperature-programmed desorption (TPD) and dispersion-corrected density functional theory (DFT-D3) calculations. We find...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03145E, Paper
A specific class of multiferroic R2CoMnO6/La2CoMnO6 (R = Ce, Pr, Nd, Pm, Sm, Gd, Tb, Dy, Ho, Er, Tm) superlattices, which displayed observable electric polarizations and considerable magnetization, were investigated...
 
Anika Gladytz, Torsten John, Thomas Gladytz, Raik Hassert, Mareen Pagel, S. Naumov, Herre Jelger Risselada, Annette G Beck-Sickinger and Bernd Abel
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03325C, Paper
Investigating the adsorption of peptides on inorganic surfaces, on the molecular level, is fundamental for medicinal and analytical applications. Peptides can be potent as linkers between surfaces and living cells...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03182J, Paper
The acoustic vibrations of individual single-crystal and penta-twinned gold nanorods with widths from ~7 to ~26 nm are studied by atomic-level simulations and finite element calculations. It is demonstrated that...
 
Jun Liu, Kovur Prashanthi, Zhi Li, Ryan McGee, Kaveh Ahadi and Thomas Thundat
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03068H, Communication
Semiconductor Nanowires (NWs), due to their intriguing structural and physical properties offer tremendous potential for future technological applications. The existence of strain in NWs can greatly affect, for instance, their...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03451A, Communication
Developing inexpensive and non-precious metal electrocatalysts for the oxygen reduction reaction (ORR) is among the major goals in fuel cells. Here by using density-functional theory calculations, we show that N-doped...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03058K, Paper
The structure, dynamics, and phase behavior of a binary mixture based on the protic ionic liquid 1- ethylimidazolium bis(trifluoromethanesulfonyl)imide (C2HImTFSI) and imidazole are investigated by 1H NMR spectroscopy, vibrational spectroscopy,...
 
Magdalena Tarnacka, Wycliffe Kipnusu, Ewa Kaminska, Sebastian Pawlus, Kamil Kaminski and Marian Paluch
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03923E, Paper
In this paper, we combine Broadband Dielectric Spectroscopy (BDS) at ambient and high pressure, and Positron annihilation lifetime spectroscopy (PALS) data of 2-ethylhexanol in the bulk state and when infiltrated...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04598G, Paper
To understand the dynamics of H3O+ formation, we report a combined experimental-theoretical study of the rovibrationally state-selected ion-molecule reactions H2O+(X2B1; v1+v2+v3+; N+Ka+Kc+) + H2 (D2) → H3O+ (H2DO+) + H...
 
Willem Siebrand, Zorka Smedarchina, Emilio Martinez-Nunez and Antonio Fernandez-Ramos
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04173F, Paper
The kinetics of the reaction of methanol with hydroxyl radicals is revisited in light of reported new kinetic data, measured in cold expansion beams. The rate constants exhibit an approximately...
 
Jérémy Rio, Dogan Erbahar, Mark Rayson, Patrick R Briddon and Chris Ewels
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03376H, Paper
Density functional calculations are used to study the role of edge-functionalization on the structure and electronic properties of cycloparaphenylene (CPPs) containing from six to twenty benzenoid rings. We substitute hydrogen...
 
Irina Portnaya, Sharon Avni, Ellina Kesselman, Yoav Boyarski, Shahar Sukenik, Daniel Harries, N. Dan, Uri Cogan and Dganit Danino
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04582K, Paper
Kappa-casein (κCN) and beta-casein (βCN) are disordered proteins present in mammalian milk. In vitro βCN self-assembles into core-shell micelles. κCN self assembles into similar micelles, as well as into amyloid-like...
 
Kun Cai, Jingzhou Yu, Lingnan liu, Jiao Shi and qinghua qin
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP04359C, Paper
Due to the extremely small dimensions and super high frequency of the rotor in a thermally driven rotary nanomotor made from carbon nanostructures, measuring the rotational frequency of the nanomotor...
 
J. L. Shen, Svette Reina Merden Solante Santiago, T. N. Lin, Chi-Tsu Yuan, Hsiu-Ying Huang and C. A. J. Lin
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03159E, Paper
One-step synthesis of graphene quantum dots (GQDs) has been implemented using pulsed laser ablation (PLA) with carboxyl-functionalized multiwalled carbon nanotubes (MWCNTs). The synthesized GQDs with an average size smaller than...
 
Phys. Chem. Chem. Phys., 2016, Accepted Manuscript
DOI: 10.1039/C6CP03315F, Paper
The electrochemical properties of Keggin type polyoxometalates Qn[XW12O40] (X = P, Si, B; Q = n-tetraoctylammonium and n-trioctylmethylammonium) in organic solvents was investigated in order to understand the interelation between...
 
K. Ganesan, Subrata Ghosh, Nanda Gopala Krishna, S. Ilango, M. Kamruddin and A. K. Tyagi
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP02033J, Paper
Defects in planar and vertically oriented nanographitic structures (NGSs) synthesized by plasma enhanced chemical vapor deposition (PECVD) have been investigated using Raman and X-ray photoelectron spectroscopy.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP03670H, Paper
Understanding protein–protein interactions (PPIs) is quite important to elucidate crucial biological processes and even design compounds that interfere with PPIs with pharmaceutical significance.
 
Aizhu Wang, Zhenhai Wang, Aijun Du and Mingwen Zhao
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP02617F, Paper
Titanium nitride iodide (TiNI) monolayer, a new stable 2D-TI characterized by the topological invariant of Z2 = 1, can be exfoliated from a bulk TiNI crystal.
 
Dean Cvetko, Guido Fratesi, Gregor Kladnik, Albano Cossaro, Gian Paolo Brivio, Latha Venkataraman and Alberto Morgante
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP04099C, Paper
State-of-the-art X-ray spectroscopy allows femtosecond gating of energy levels of photo-excited molecules on a metal substrate enabling ultrafast and bi-directional charge transfer across the interface with controllable dependence on the molecular adsorption geometry.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP02755E, Paper
At the most basic molecular level, it is possible to interrogate a large range of non-covalent interactions ranging from OH → OH hydrogen bonding, to OH → π, and CH → π, all being at the center of gels properties at the macroscopic level.
 
Fernando Buendía, Jorge A. Vargas, Marcela R. Beltrán, Jack B. A. Davis and Roy L. Johnston
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP03735F, Paper
The combined use of a genetic algorithm and Density Functional Theory (DFT) calculations allows us to explore the potential energy surface. Our results show interesting effects on the geometries of the clusters on deposition. Two-dimensional clusters in the gas phase become three-dimensional and vice versa.
 
Hristiyan A. Aleksandrov, Konstantin M. Neyman, Konstantin I. Hadjiivanov and Georgi N. Vayssilov
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP03988J, Paper
The state of the platinum species may be mistaken based only on the value of the C–O stretching frequency due to overlapping regions of frequencies corresponding to different species.
 
Minyu Xiao, Joshua Jasensky, Xiaoxian Zhang, Yaoxin Li, Cayla Pichan, Xiaolin Lu and Zhan Chen
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP04155H, Paper
We elucidated the effects of the polythiophene side chain and the substrate surface hydrophobicity on polythiophene thin film–substrate interfacial interactions; such interactions influence the interfacial structure, bulk film structure, and the surface structure.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP03533G, Paper
Coupled cluster based calculations on the ground and excited states of avobenzone provide mechanistic understanding of formation of transient tautomers upon photoexcitation of the chelated enol form.
 
Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C6CP02032A, Paper
In the presence of an oxygen vacancy, two water molecules in the tunnel of an α-MnO2 lattice form a dimer and dissociate into ions, which can activate water oxidation. And also self-healing can happen if at least one more water molecule is available in the tunnel for proton transport.
 

Search this journal

Find an issue

Physical Chemistry Chemical Physics (1999-Present)
Year *
Issue

Find an article

Journal*
Year*
Page 

Citation velocity

Articles from this journal that are regularly and recently being cited by others. We are trialling this feature to see if it makes it quicker and easier for you to find articles for your research. Read more about how we have created this filtering system.

132 citations
This Perspective summarises the properties of a variety of anomalous diffusion processes and provides the necessary tools to analyse and interpret recorded anomalous diffusion data.
DOI: 10.1039/C4CP03465A
Published: 22 Sep 2014
113 citations
The recent advances and current status of strategic coupling of ZnO with carbon materials for improving the photocatalytic activity and anti-photocorrosion of ZnO and further research directions of ZnO–carbon composite based photocatalysis have been described.
DOI: 10.1039/C4CP02189D
Published: 01 Jul 2014
15 citations
Rotational dynamics of organic cations in the CH3NH3PbI3 perovskite are revealed by elastic and quasi-elastic neutron scattering and group theoretical analysis.
DOI: 10.1039/C5CP05348J
Published: 28 Oct 2015

Related news