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Front cover
Phys. Chem. Chem. Phys., 2014, 16, 14973 DOI:10.1039/C4CP90090A
Inside front cover
Phys. Chem. Chem. Phys., 2014, 16, 14974 DOI:10.1039/C4CP90091J
Front/Back Matter
Contents list
Phys. Chem. Chem. Phys., 2014, 16, 14975 DOI:10.1039/C4CP90092H
Perspectives
Flexible and stretchable thin-film transistors based on molybdenum disulphide
Jiang Pu, Lain-Jong Li and Taishi Takenobu
Phys. Chem. Chem. Phys., 2014, 16, 14996 DOI:10.1039/C3CP55270E
Negative electrodes for Na-ion batteries
Mouad Dahbi, Naoaki Yabuuchi, Kei Kubota, Kazuyasu Tokiwa and Shinichi Komaba
Phys. Chem. Chem. Phys., 2014, 16, 15007 DOI:10.1039/C4CP00826J
Bimetallic alloys in action: dynamic atomistic motifs for electrochemistry and catalysis
Jonathan E. Mueller, Petr Krtil, Ludwig A. Kibler and Timo Jacob
Phys. Chem. Chem. Phys., 2014, 16, 15029 DOI:10.1039/C4CP01591F
Excited states of multiply-charged anions probed by photoelectron imaging: riding the repulsive Coulomb barrier
Jan R. R. Verlet, Daniel A. Horke and Adam S. Chatterley
Phys. Chem. Chem. Phys., 2014, 16, 15043 DOI:10.1039/C4CP01667J
Physicochemical characterization of nanoparticles and their behavior in the biological environment
L. Treuel, K. A. Eslahian, D. Docter, T. Lang, R. Zellner, K. Nienhaus, G. U. Nienhaus, R. H. Stauber and M. Maskos
Phys. Chem. Chem. Phys., 2014, 16, 15053 DOI:10.1039/C4CP00058G
Computational electrochemistry: prediction of liquid-phase reduction potentials
Aleksandr V. Marenich, Junming Ho, Michelle L. Coote, Christopher J. Cramer and Donald G. Truhlar
Phys. Chem. Chem. Phys., 2014, 16, 15068 DOI:10.1039/C4CP01572J
Communication
A cracked polymer templated metal network as a transparent conducting electrode for ITO-free organic solar cells
K. D. M. Rao, Christoph Hunger, Ritu Gupta, Giridhar U. Kulkarni and Mukundan Thelakkat
Phys. Chem. Chem. Phys., 2014, 16, 15107 DOI:10.1039/C4CP02250E
Papers
Plasmon-enhanced photocatalytic water purification
Leyre Gomez, Victor Sebastian, Manuel Arruebo, Jesus Santamaria and Stephen B. Cronin
Phys. Chem. Chem. Phys., 2014, 16, 15111 DOI:10.1039/C4CP00229F
Dissecting the steps of CO2 reduction: 1. The interaction of CO and CO2 with γ-Al2O3: an in situ FTIR study
János Szanyi and Ja Hun Kwak
Phys. Chem. Chem. Phys., 2014, 16, 15117 DOI:10.1039/C4CP00616J
Dissecting the steps of CO2 reduction: 2. The interaction of CO and CO2 with Pd/γ-Al2O3: an in situ FTIR study
János Szanyi and Ja Hun Kwak
Phys. Chem. Chem. Phys., 2014, 16, 15126 DOI:10.1039/C4CP00617H
Synthesis and luminescence resonance energy transfer based on noble metal nanoparticles and the NaYF4:Tb3+ shell
Yan Song, Guixia Liu, Jinxian Wang, Xiangting Dong and Wensheng Yu
Phys. Chem. Chem. Phys., 2014, 16, 15139 DOI:10.1039/C4CP02260B
The effect of the ionic size of small quaternary ammonium BF4 salts on electrochemical double layer capacitors
Ah Reum Koh, Byunghyun Hwang, Kwang Chul Roh and Ketack Kim
Phys. Chem. Chem. Phys., 2014, 16, 15146 DOI:10.1039/C4CP00949E
Tuning bio-inspired skin–core structure of nascent fiber via interplay of polymer phase transitions
Qi Liu, Huanhuan Gao, Liyun Zha, Zuming Hu, Yu Ma, Muhuo Yu, Lei Chen and Wenbing Hu
Phys. Chem. Chem. Phys., 2014, 16, 15152 DOI:10.1039/C4CP00792A
Energy-transfer from ultra-small Au nanoclusters to Er3+ ions: a short-range mechanism
Tiziana Cesca, Boris Kalinic, Niccolò Michieli, Chiara Maurizio, Carlo Scian, Gurram Devaraju, Giancarlo Battaglin, Paolo Mazzoldi and Giovanni Mattei
Phys. Chem. Chem. Phys., 2014, 16, 15158 DOI:10.1039/C4CP01680G
Theoretical predictions of isotope effects versus their experimental values for an example of uncatalyzed hydrolysis of atrazine
Anna Grzybkowska, Rafal Kaminski and Agnieszka Dybala-Defratyka
Phys. Chem. Chem. Phys., 2014, 16, 15164 DOI:10.1039/C4CP00914B
Electrodynamics of soft multilayered particles dispersions: dielectric permittivity and dynamic mobility
Jenny Merlin and Jérôme F. L. Duval
Phys. Chem. Chem. Phys., 2014, 16, 15173 DOI:10.1039/C4CP01674B
Revealing the structure–property relationship of covalent organic frameworks for CO2 capture from postcombustion gas: a multi-scale computational study
Minman Tong, Qingyuan Yang, Yuanlong Xiao and Chongli Zhong
Phys. Chem. Chem. Phys., 2014, 16, 15189 DOI:10.1039/C4CP02047B
Preparation of platinum modified titanium dioxide nanoparticles with the use of laser ablation in water
K. Siuzdak, M. Sawczak, M. Klein, G. Nowaczyk, S. Jurga and A. Cenian
Phys. Chem. Chem. Phys., 2014, 16, 15199 DOI:10.1039/C4CP01923G
Trapping of single nano-objects in dynamic temperature fields
Marco Braun, Alois Würger and Frank Cichos
Phys. Chem. Chem. Phys., 2014, 16, 15207 DOI:10.1039/C4CP01560F
Accurate characterization of single track-etched, conical nanopores
Pavel Yu. Apel, Patricio Ramirez, Irina V. Blonskaya, Oleg L. Orelovitch and Bozena A. Sartowska
Phys. Chem. Chem. Phys., 2014, 16, 15214 DOI:10.1039/C4CP01686F
DFT calculations on kinetic data for some [4+2] reactions in solution
Yue Li and De-Cai Fang
Phys. Chem. Chem. Phys., 2014, 16, 15224 DOI:10.1039/C4CP02068E
Selectivity in fragmentation of N-methylacetamide after resonant K-shell excitation
Peter Salén, Magdalena Kamińska, Richard J. Squibb, Robert Richter, Michele Alagia, Stefano Stranges, Peter van der Meulen, John H. D. Eland, Raimund Feifel and Vitali Zhaunerchyk
Phys. Chem. Chem. Phys., 2014, 16, 15231 DOI:10.1039/C4CP01067A
Tailoring the properties of quadruplex nucleobases for biological and nanomaterial applications
Jan Novotný, Yevgen P. Yurenko, Petr Kulhánek and Radek Marek
Phys. Chem. Chem. Phys., 2014, 16, 15241 DOI:10.1039/C4CP00541D
Three-dimensional microstructure of high-performance pulsed-laser deposited Ni–YSZ SOFC anodes
David Kennouche, Jongsup Hong, Ho-Sung Noh, Ji-Won Son and Scott A. Barnett
Phys. Chem. Chem. Phys., 2014, 16, 15249 DOI:10.1039/C4CP02251C
Photoinduced water splitting with oxotitanium tetraphenylporphyrin
O. Morawski, K. Izdebska, E. Karpiuk, J. Nowacki, A. Suchocki and A. L. Sobolewski
Phys. Chem. Chem. Phys., 2014, 16, 15256 DOI:10.1039/C4CP02269F
Vibrational characteristics of graphene sheets elucidated using an elastic network model
Min Hyeok Kim, Daejoong Kim, Jae Boong Choi and Moon Ki Kim
Phys. Chem. Chem. Phys., 2014, 16, 15263 DOI:10.1039/C4CP00732H
Plasmonic enhancement of the optical absorption and catalytic efficiency of BiVO4 photoanodes decorated with Ag@SiO2 core–shell nanoparticles
Fatwa F. Abdi, Ali Dabirian, Bernard Dam and Roel van de Krol
Phys. Chem. Chem. Phys., 2014, 16, 15272 DOI:10.1039/C4CP01583E
Quaternary ammonium and phosphonium based ionic liquids: a comparison of common anions
Rebecca K. Blundell and Peter Licence
Phys. Chem. Chem. Phys., 2014, 16, 15278 DOI:10.1039/C4CP01901F
Molecular dynamics investigations of liquid–vapor interaction and adsorption of formaldehyde, oxocarbons, and water in graphitic slit pores
Pei-Hsing Huang, Shang-Chao Hung and Ming-Yueh Huang
Phys. Chem. Chem. Phys., 2014, 16, 15289 DOI:10.1039/C4CP01922A
Photoelectrocatalytic degradation of rhodamine B on TiO2 photonic crystals
Xiuzhen Zheng, Danzhen Li, Xiaofang Li, Linhui Yu, Peng Wang, Xiaoyun Zhang, Jialin Fang, Yu Shao and Yi Zheng
Phys. Chem. Chem. Phys., 2014, 16, 15299 DOI:10.1039/C4CP01888E
Demixing and crystallization of DODAB in DPPC–DODAB binary mixtures
Fu-Gen Wu, Rui-Guang Wu, Hai-Yuan Sun, Yan-Zhen Zheng and Zhi-Wu Yu
Phys. Chem. Chem. Phys., 2014, 16, 15307 DOI:10.1039/C4CP01707B
The relationship between interfacial bonding and radiation damage in adsorbed DNA
R. A. Rosenberg, J. M. Symonds, K. Vijayalakshmi, Debabrata Mishra, T. M. Orlando and R. Naaman
Phys. Chem. Chem. Phys., 2014, 16, 15319 DOI:10.1039/C4CP01649A
A nitride based polarization-engineered photocathode for water splitting without a p-type semiconductor
Akihiro Nakamura, Katsushi Fujii, Masakazu Sugiyama and Yoshiaki Nakano
Phys. Chem. Chem. Phys., 2014, 16, 15326 DOI:10.1039/C4CP01599A
Elasticity of grossular–andradite solid solution: an ab initio investigation
Valentina Lacivita, Alessandro Erba, Roberto Dovesi and Philippe D’Arco
Phys. Chem. Chem. Phys., 2014, 16, 15331 DOI:10.1039/C4CP01597E
CdS nanorod arrays with TiO2 nano-coating for improved photostability and photocatalytic activity
Liangpeng Wu, Yulan Zhang, Xinjun Li and Chaoping Cen
Phys. Chem. Chem. Phys., 2014, 16, 15339 DOI:10.1039/C4CP01347F
Near constant loss regime in fast ionic conductors analyzed by impedance and NMR spectroscopies
Wilmer Bucheli, Kamel Arbi, Jesús Sanz, Dmitry Nuzhnyy, Stanislav Kamba, Alejandro Várez and Ricardo Jimenez
Phys. Chem. Chem. Phys., 2014, 16, 15346 DOI:10.1039/C4CP01773K
Understanding the interaction of DNA–RNA nucleobases with different ZnO nanomaterials
Supriya Saha and Pranab Sarkar
Phys. Chem. Chem. Phys., 2014, 16, 15355 DOI:10.1039/C4CP01041H
Aromaticity of the planar hetero[8]circulenes and their doubly charged ions: NICS and GIMIC characterization
G. V. Baryshnikov, R. R. Valiev, N. N. Karaush and B. F. Minaev
Phys. Chem. Chem. Phys., 2014, 16, 15367 DOI:10.1039/C4CP00860J
Role of oxygen impurity on the mechanical stability and atomic cohesion of Ta3N5 semiconductor photocatalyst
Jiajia Wang, Jianyong Feng, Li Zhang, Zhaosheng Li and Zhigang Zou
Phys. Chem. Chem. Phys., 2014, 16, 15375 DOI:10.1039/C4CP00120F
A QM/MM MD insight into photodynamics of hypoxanthine: distinct nonadiabatic decay behaviors between keto-N7H and keto-N9H tautomers in aqueous solution
Xugeng Guo, Yuan Zhao and Zexing Cao
Phys. Chem. Chem. Phys., 2014, 16, 15381 DOI:10.1039/C4CP01928H
Theoretical study on molecular design and optical properties of organic sensitizers
Santhanamoorthi Nachimuthu, Kuan-Hwa Lai, Fadlilatul Taufany and Jyh-Chiang Jiang
Phys. Chem. Chem. Phys., 2014, 16, 15389 DOI:10.1039/C4CP01653J
Novel high-efficiency crystalline-silicon-based compound heterojunction solar cells: HCT (heterojunction with compound thin-layer)
Yiming Liu, Yun Sun, Wei Liu and Jianghong Yao
Phys. Chem. Chem. Phys., 2014, 16, 15400 DOI:10.1039/C4CP00668B
Analysis of parahydrogen polarized spin system in low magnetic fields
P. Türschmann, J. Colell, T. Theis, B. Blümich and S. Appelt
Phys. Chem. Chem. Phys., 2014, 16, 15411 DOI:10.1039/C4CP01807A
The effect of the nano-silica support on the catalytic reduction of water by gold, silver and platinum nanoparticles – nanocomposite reactivity
T. Zidki, R. Bar-Ziv, U. Green, H. Cohen, D. Meisel and D. Meyerstein
Phys. Chem. Chem. Phys., 2014, 16, 15422 DOI:10.1039/C4CP00941J
Amyloid-β (1–40) restores adhesion properties of pulmonary surfactant, counteracting the effect of cholesterol
F. T. Hane, E. Drolle and Z. Leonenko
Phys. Chem. Chem. Phys., 2014, 16, 15430 DOI:10.1039/C4CP00040D
Decisive influence of substitution positions in molecular self-assembly
Julia L. Neff, Markus Kittelmann, Ralf Bechstein and Angelika Kühnle
Phys. Chem. Chem. Phys., 2014, 16, 15437 DOI:10.1039/C4CP02077D
The surface chemistry of NOx on mackinawite (FeS) surfaces: a DFT-D2 study
N. Y. Dzade, A. Roldan and N. H. de Leeuw
Phys. Chem. Chem. Phys., 2014, 16, 15444 DOI:10.1039/C4CP01138D
How TOPO affects the interface of the novel mixed water/AOT:TOPO/n-heptane reverse micelles: dynamic light scattering and Fourier transform infrared spectroscopy studies
Emmanuel Odella, R. Darío Falcone, Juana J. Silber and N. Mariano Correa
Phys. Chem. Chem. Phys., 2014, 16, 15457 DOI:10.1039/C4CP01026D
Recombination kinetics in a silicon solar cell at low concentration: electro-analytical characterization of space-charge and quasi-neutral regions
Pankaj Yadav, Brijesh Tripathi, Kavita Pandey and Manoj Kumar
Phys. Chem. Chem. Phys., 2014, 16, 15469 DOI:10.1039/C4CP01115E
Spin-semiconducting properties in silicene nanoribbons
Yin-Chang Zhao and Jun Ni
Phys. Chem. Chem. Phys., 2014, 16, 15477 DOI:10.1039/C4CP01549E
Determination of protein binding affinities within hydrogel-based molecularly imprinted polymers (HydroMIPs)
Hazim F. EL-Sharif, Daniel M. Hawkins, Derek Stevenson and Subrayal M. Reddy
Phys. Chem. Chem. Phys., 2014, 16, 15483 DOI:10.1039/C4CP01798F
Solvent evaporation versus proton transfer in nucleobase–Pt(CN)4,62− dianion clusters: a collisional excitation and electronic laser photodissociation spectroscopy study
Ananya Sen, Thomas F. M. Luxford, Naruo Yoshikawa and Caroline E. H. Dessent
Phys. Chem. Chem. Phys., 2014, 16, 15490 DOI:10.1039/C4CP00989D
Plasmon resonance analysis with configuration interaction
Emilie B. Guidez and Christine M. Aikens
Phys. Chem. Chem. Phys., 2014, 16, 15501 DOI:10.1039/C4CP01365D
A hydro-kinetic scheme for the dynamics of hydrogen bonds in water-like fluids
Nasrollah Moradi, Andreas Greiner, Simone Melchionna, Francesco Rao and Sauro Succi
Phys. Chem. Chem. Phys., 2014, 16, 15510 DOI:10.1039/C4CP00921E
The solvatochromic, spectral, and geometrical properties of nifenazone: a DFT/TD-DFT and experimental study
Abdulilah Dawoud Bani-Yaseen and Mona Al-Balawi
Phys. Chem. Chem. Phys., 2014, 16, 15519 DOI:10.1039/C4CP01679C
π-Cooperativity effect on the base stacking interactions in DNA: is there a novel stabilization factor coupled with base pairing H-bonds?
Hande Karabıyık, Resul Sevinçek and Hasan Karabıyık
Phys. Chem. Chem. Phys., 2014, 16, 15527 DOI:10.1039/C4CP00997E
Critical adsorption of polyelectrolytes onto charged Janus nanospheres
Sidney J. de Carvalho, Ralf Metzler and Andrey G. Cherstvy
Phys. Chem. Chem. Phys., 2014, 16, 15539 DOI:10.1039/C4CP02207F
Extreme strain rate and temperature dependence of the mechanical properties of nano silicon nitride thin layers in a basal plane under tension: a molecular dynamics study
Xuefeng Lu, Hongjie Wang, Yin Wei, Jiangbo Wen, Min Niu and Shuhai Jia
Phys. Chem. Chem. Phys., 2014, 16, 15551 DOI:10.1039/C4CP00714J
Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands
Frédéric Guégan, Pierre Mignon, Vincent Tognetti, Laurent Joubert and Christophe Morell
Phys. Chem. Chem. Phys., 2014, 16, 15558 DOI:10.1039/C4CP01613K
Highly efficient (In2Te3)x(GeTe)3−3x thermoelectric materials: a substitute for TAGS
Hui Sun, Xu Lu, Hang Chi, Donald T. Morelli and Ctirad Uher
Phys. Chem. Chem. Phys., 2014, 16, 15570 DOI:10.1039/C4CP01294A
Linear and nonlinear optical properties of V-shaped D–π–A–π–D chromophores: effects of the incorporation of aromatic rings in the polyenic π-bridges of open-chain ketocyanines
Fabio Momicchioli, Glauco Ponterini and Davide Vanossi
Phys. Chem. Chem. Phys., 2014, 16, 15576 DOI:10.1039/C4CP01564A
Composition dependent intrinsic defect structures in SrTiO3
Bin Liu, Valentino R. Cooper, Haixuan Xu, Haiyan Xiao, Yanwen Zhang and William J. Weber
Phys. Chem. Chem. Phys., 2014, 16, 15590 DOI:10.1039/C4CP01510J
Dipole-induced conductivity enhancement by n-type inclusion in a p-type system: α-Fe2O3–PEDOT:PSS nanocomposites
R. Raccis, L. Wortmann, S. Ilyas, J. Schläfer, A. Mettenbörger and S. Mathur
Phys. Chem. Chem. Phys., 2014, 16, 15597 DOI:10.1039/C4CP01093K
Solar-to-hydrogen efficiency exceeding 2.5% achieved for overall water splitting with an all earth-abundant dual-photoelectrode
Chunmei Ding, Wei Qin, Nan Wang, Guiji Liu, Zhiliang Wang, Pengli Yan, Jingying Shi and Can Li
Phys. Chem. Chem. Phys., 2014, 16, 15608 DOI:10.1039/C4CP02391A
Exploring the Hamiltonian inversion landscape
Ashley Donovan and Herschel Rabitz
Phys. Chem. Chem. Phys., 2014, 16, 15615 DOI:10.1039/C4CP02209B
Polarization dressed multi-order fluorescence of Pr3+:Y2SiO5
Ruimin Wang, Chengjun Lei, Changbiao Li, Huayan Lan, Huaibin Zheng, Min Xiao and Yanpeng Zhang
Phys. Chem. Chem. Phys., 2014, 16, 15623 DOI:10.1039/C4CP02001D
Interactions of adsorbed CO2 on water ice at low temperatures
L. J. Karssemeijer, G. A. de Wijs and H. M. Cuppen
Phys. Chem. Chem. Phys., 2014, 16, 15630 DOI:10.1039/C4CP01622J
Controlling the window size in mesoporous SBA-16
L. Qin, Y. Sakamoto and M. W. Anderson
Phys. Chem. Chem. Phys., 2014, 16, 15640 DOI:10.1039/C4CP00343H
Long-life Na–O2 batteries with high energy efficiency enabled by electrochemically splitting NaO2 at a low overpotential
Ning Zhao, Chilin Li and Xiangxin Guo
Phys. Chem. Chem. Phys., 2014, 16, 15646 DOI:10.1039/C4CP01961J
Vaporization of the prototypical ionic liquid BMImNTf2 under equilibrium conditions: a multitechnique study
Bruno Brunetti, Andrea Ciccioli, Guido Gigli, Andrea Lapi, Nicolaemanuele Misceo, Luana Tanzi and Stefano Vecchio Ciprioti
Phys. Chem. Chem. Phys., 2014, 16, 15653 DOI:10.1039/C4CP01673D
Highly stable Au atomic contacts covered with benzenedithiol under ambient conditions
Daigo Murai, Tomoka Nakazumi, Shintaro Fujii, Yuki Komoto, Kazuhito Tsukagoshi, Carlo Motta and Manabu Kiguchi
Phys. Chem. Chem. Phys., 2014, 16, 15662 DOI:10.1039/C4CP01950D
Advanced unidirectional photocurrent generation via cytochrome c as reaction partner for directed assembly of photosystem I
Kai R. Stieger, Sven C. Feifel, Heiko Lokstein and Fred Lisdat
Phys. Chem. Chem. Phys., 2014, 16, 15667 DOI:10.1039/C4CP00935E
Opposite photocatalytic activity orders of low-index facets of anatase TiO2 for liquid phase dye degradation and gaseous phase CO2 photoreduction
Liqun Ye, Jin Mao, Tianyou Peng, Ling Zan and Youxiang Zhang
Phys. Chem. Chem. Phys., 2014, 16, 15675 DOI:10.1039/C4CP01488J
Partitioning of prototropic species of an anticancer drug ellipticine in bile salt aggregates of different head groups and hydrophobic skeletons: a photophysical study to probe bile salts as multisite drug carriers
Raina Thakur, Anupam Das, Chandan Adhikari and Anjan Chakraborty
Phys. Chem. Chem. Phys., 2014, 16, 15681 DOI:10.1039/C4CP01308E
Fabrication and performance studies of a cable-type flexible asymmetric supercapacitor
S. T. Senthilkumar and R. Kalai Selvan
Phys. Chem. Chem. Phys., 2014, 16, 15692 DOI:10.1039/C4CP00955J
1JCH couplings in Group 14/IVA tetramethyls from the gas-phase NMR and DFT structural study: a search for the best computational protocol
Ryszard B. Nazarski and Włodzimierz Makulski
Phys. Chem. Chem. Phys., 2014, 16, 15699 DOI:10.1039/C4CP01596G
The crystal plane effect on the peroxidase-like catalytic properties of Co3O4 nanomaterials
Jianshuai Mu, Li Zhang, Guangyu Zhao and Yan Wang
Phys. Chem. Chem. Phys., 2014, 16, 15709 DOI:10.1039/C4CP01326C
Cover
Back cover
Phys. Chem. Chem. Phys., 2014, 16, 15717 DOI:10.1039/C4CP90093F
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