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    Large piezoelectric response of BiFeO3/BaTiO3 polycrystalline films induced by the low-symmetry phase (English)

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    In: Physical Chemistry Chemical Physics ; 17 , 17 ; 11593-11597  ; 2015

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    BaTiO3, BiFeO3 and BiFeO3/BaTiO3 polycrystalline films were prepared by the radio frequency magnetron sputtering on the Pt/Ti/SiO2/Si substrate. The phase structure, converse piezoelectric coefficient and domain structure of BaTiO3, BiFeO3 and BiFeO3/BaTiO3 thin films are characterized by XRD and PFM, respectively. The converse piezoelectric coefficient d33 of BiFeO3/BaTiO3 thin films is 119.5 pm V−1, which is comparable to that of lead-based piezoelectric films. The large piezoelectric response of BiFeO3/BaTiO3 thin films is ascribed to the low-symmetry T-like phase BiFeO3, because the spontaneous polarization vector of T-like phase (with monoclinic symmetry) BiFeO3 can rotate easily under external field. In addition, the reduced leakage current and major domains with upward polarization are also attributed to the large piezoelectricity.

    Table of contents – Volume 17, Issue 17

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    The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.

    117
    Molybdenum disulfide as a highly efficient adsorbent for non-polar gasesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00161g
    Wang, Lu et al. | 2015
    1114
    Optical writing and reading with a photoactivatable carbazoleElectronic supplementary information (ESI) available: Experimental procedures, voltammograms, absorption and emission spectra, fluorescence images, atomic force microscopy (AFM) images, fluorescence decays. See DOI: 10.1039/c5cp01336d
    Zhang, Yang et al. | 2015
    1115
    Enhanced electrical properties at boundaries including twin boundaries of polycrystalline CdTe thin-film solar cellsElectronic supplementary information (ESI) available: Details of CdTe solar cell fabrication, characterization, EBSD, EBIC, C-AFM, and SKPFM results, Table S1 and Fig. S1-S13. See DOI: 10.1039/c5cp00564g
    Du, Z. M et al. | 2015
    11260
    Amplified electron transfer at poly-ethylene-glycol (PEG) grafted electrodes
    Hotchen, Christopher E. / Maybury, Ian J. / Nelson, Geoffrey W. / Foord, John S. / Holdway, Philip / Marken, Frank et al. | 2015
    1131
    Pore collapse and regrowth in silicon electrodes for rechargeable batteriesElectronic supplementary information (ESI) available: EIS fitting parameters, impedance relaxation data for the delithiated states, analysis of irreversible electrochemical degradation with half-cell cycling, correction factors for substrate warping, interfacial roughness/width variations with SOC, and a-Si solid portion density calculations. See DOI: 10.1039/c4cp06017b
    Owejan, J. P et al. | 2015
    1135
    Internal heavy atom effects in phenothiazinium dyes: enhancement of intersystem crossing via vibronic spin-orbit couplingElectronic supplementary information (ESI) available: The equilibrium geometries of the ground and excited states of oxonine and selenine, together with their TDDFT adiabatic energies, results regarding to the basis set choice of oxonine and the dependence of the computed intersystem crossing rate constants on technical computational parameters. See DOI: 10.1039/c5cp00194c
    Rodriguez-Serrano, Angela et al. | 2015
    1141
    Disentangling vibronic and solvent broadening effects in the absorption spectra of coumarin derivatives for dye sensitized solar cellsElectronic supplementary information (ESI) available: Comparison of VH spectra and AH spectra computed either in Cartesian or in internal coordinates and comparison of TD and TI spectra for C343 at 0 K; plots of the HOMO and the LUMO for different chromophores; relative stability of the protomers of C343; further analysis of the CT character and its effect on FC factors; for nkx-2753 further comparisons of CAM-B3LYP and PBE0 spectra in the gas-phase and in ethanol. Animations of the most relevant modes of c343 and nkx-2753 at the CAM-B3LYP level. See DOI: 10.1039/c5cp00370a
    Avila Ferrer, Francisco J et al. | 2015
    11490
    Efficient size control of copper nanoparticles generated in irradiated aqueous solutions of star-shaped polyelectrolyte containers
    Zezin, Alexey A. / Feldman, Vladimir I. / Abramchuk, Sergei S. / Danelyan, Gurgen V. / Dyo, Victor V. / Plamper, Felix A. / Müller, Axel H. E. / Pergushov, Dmitry V. et al. | 2015
    11540
    Adsorbate enhancement of electron emission during the quenching of metastable CO at metal surfaces
    Engelhart, Daniel P. / Wagner, Roman J. V. / Johnsen, Peter C. / Wodtke, Alec M. / Schäfer, Tim et al. | 2015
    11560
    Electrolyte ion adsorption and charge blocking effect at the hematite/aqueous solution interface: an electrochemical impedance study using multivariate data analysis
    Shimizu, K. / Nyström, J. / Geladi, P. / Lindholm-Sethson, B. / Boily, J.-F. et al. | 2015
    1159
    Controlled synthesis of monodisperse α-calcium sulfate hemihydrate nanoellipsoids with a porous structureElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00804b
    Jia, Caiyun et al. | 2015
    11670
    Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3
    Erba, Alessandro / Maul, Jefferson / Demichelis, Raffaella / Dovesi, Roberto et al. | 2015
    1169
    Electro-catalytic oxidation of hemicelluloses at the Au electrodeElectronic supplementary information (ESI) available: The chemical structure of hemicelluloses, CP MAS 13C solid state NMR spectra of xylan samples, concentration of metal elements in the water insoluble reaction product, and the sample preparation process for structural analysis. See DOI: 10.1039/c4cp05800c
    Ivaska, Ari et al. | 2015
    1174
    A density functional theory based study of the electron transfer reaction at the cathode-electrolyte interface in lithium-air batteriesElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp06121g
    Dutta, Prashanta et al. | 2015
    1175
    Spatially confined catalysis-enhanced high-temperature carbon dioxide electrolysisElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp06125j
    Xie, Kui et al. | 2015
    1177
    β-Isocyanoalanine as an IR probe: comparison of vibrational dynamics between isonitrile and nitrile-derivatized IR probesElectronic supplementary information (ESI) available: Detailed synthetic procedures and characterization for compounds, wobbling-in-a-cone model and tables and figures exhibiting the results of IR spectroscopic studies. See DOI: 10.1039/c5cp00454c
    Han, Hogyu et al. | 2015
    1179
    Enhanced field emission from in situ synthesized 2D copper sulfide nanoflakes at low temperature by using a novel controllable solvothermal preferred edge growth routeElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00493d
    Song, Zengcai et al. | 2015
    11115
    Front cover
    | 2015
    11117
    Contents list
    | 2015
    11140
    Optical writing and reading with a photoactivatable carbazole
    Garcia-Amorós, Jaume / Swaminathan, Subramani / Zhang, Yang / Nonell, Santi / Raymo, Françisco M. et al. | 2015
    11144
    A high saturation factor in Overhauser DNP with nitroxide derivatives: the role of 14N nuclear spin relaxation
    Enkin, Nikolay / Liu, Guoquan / Gimenez-Lopez, Maria del Carmen / Porfyrakis, Kyriako / Tkach, Igor / Bennati, Marina et al. | 2015
    11144
    A high saturation factor in Overhauser DNP with nitroxide derivatives: the role of 14N nuclear spin relaxationElectronic supplementary information (ESI) available: Synthesis of FN derivatives, the experimental setup for DNP, CW EPR spectra and power dependence of the central line, ELDOR saturation spectra and time evolution PR-EPR, PR-ELDOR curves for all samples, the relaxation model of the 14N nitroxide radical, comparison of the experimental and calculated saturation factors, and dependence of 14N nuclear relaxations on correlation time. See DOI: 10.1039/c5cp00935a
    Liu, Guoquan et al. | 2015
    11150
    Enhanced electrical properties at boundaries including twin boundaries of polycrystalline CdTe thin-film solar cells
    Li, H. / Liu, X. X. / Lin, Y. S. / Yang, B. / Du, Z. M. et al. | 2015
    11156
    Band energies of nanoparticle semiconductor electrodes determined by spectroelectrochemical measurements of free electrons
    Mandal, Dhritabrata / Hamann, Thomas W. et al. | 2015
    11161
    LiTFSI in 1-butyl-1-methylpyrrolidinium bis(fluorosulfonyl)amide: a possible electrolyte for ionic liquid based lithium ion batteries
    Lahiri, Abhishek / Schubert, Thomas J. S. / Iliev, Boyan / Endres, Frank et al. | 2015
    11165
    Activation enthalpies and entropies of the atropisomerization of substituted butyl-bridged biphenyls
    Bihlmeier, Angela / Rotzler, Jürgen / Rickhaus, Michel / Mayor, Marcel / Klopper, Wim et al. | 2015
    11174
    An old workhorse for new applications: Fe(dpm)3 as a precursor for low-temperature PECVD of iron(iii) oxideElectronic supplementary information (ESI) available: NMR characterization and computational results of Fe(dpm)3. See DOI: 10.1039/c5cp00435g
    Moseler, M et al. | 2015
    11174
    An old workhorse for new applications: Fe(dpm)3 as a precursor for low-temperature PECVD of iron(iii) oxide
    Carraro, G. / Maccato, C. / Gasparotto, A. / Barreca, D. / Walter, M. / Mayrhofer, L. / Moseler, M. / Venzo, A. / Seraglia, R. / Marega, C. et al. | 2015
    11182
    The role of isomerization in the kinetics of self-assembly: p-terphenyl-m-dicarbonitrile on the Ag(111) surface
    Abbasi-Pérez, David / Manuel Recio, J. / Kantorovich, Lev et al. | 2015
    11193
    Effects of the surface stoichiometry of seeds on GaN layer growth by hydride vapour phase epitaxy
    Wang, B. / Zhao, Z. D. / Xu, W. / Sui, Y. P. / Yu, G. H. et al. | 2015
    11198
    Energetics of sodium–calcium exchanged zeolite A
    Sun, H. / Wu, D. / Guo, X. / Shen, B. / Navrotsky, A. et al. | 2015
    11204
    Electrochemical reduction of an Ag2VO2PO4 particle: dramatic increase of local electronic conductivity
    Kirshenbaum, Kevin C. / Bock, David C. / Brady, Alexander B. / Marschilok, Amy C. / Takeuchi, Kenneth J. / Takeuchi, Esther S. et al. | 2015
    11211
    Versatile electronic properties and exotic edge states of single-layer tetragonal silicon carbides
    Yang, Chao / Xie, Yuee / Liu, Li-Min / Chen, Yuanping et al. | 2015
    11217
    Transport characteristics of organic solvents through carbon nanotube filled styrene butadiene rubber nanocomposites: the influence of rubber–filler interaction, the degree of reinforcement and morphology
    Abraham, Jiji / Maria, Hanna J. / George, Soney C. / Kalarikkal, Nandakumar / Thomas, Sabu et al. | 2015
    11229
    Enhanced thermoelectric properties of Ga-doped In2O3 ceramics via synergistic band gap engineering and phonon suppression
    Liu, Yong / Xu, Wei / Liu, Da-Bo / Yu, Meijuan / Lin, Yuan-Hua / Nan, Ce-Wen et al. | 2015
    11234
    Er3+/Yb3+ upconverters for InGaP solar cells under concentrated broadband illumination
    Feenstra, J. / Six, I. F. / Asselbergs, M. A. H. / van Leest, R. H. / de Wild, J. / Meijerink, A. / Schropp, R. E. I. / Rowan, A. E. / Schermer, J. J. et al. | 2014
    11244
    The effect of thermal annealing on the charge transfer dynamics of a donor–acceptor copolymer and fullerene: F8T2 and F8T2:PCBM
    Garcia-Basabe, Yunier / Yamamoto, Natasha A. D. / Roman, Lucimara S. / Rocco, Maria Luiza M. et al. | 2015
    11244
    The effect of thermal annealing on the charge transfer dynamics of a donor-acceptor copolymer and fullerene: F8T2 and F8T2:PCBMElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp01285f
    Yamamoto, Natasha A. D et al. | 2015
    11252
    The electronic, optical and magnetic consequences of delocalization in multifunctional donor–acceptor organic polymers
    Rizzuto, Felix J. / Hua, Carol / Chan, Bun / Faust, Thomas B. / Rawal, Aditya / Leong, Chanel F. / Hook, James M. / Kepert, Cameron J. / D'Alessandro, Deanna M. et al. | 2015
    11269
    Tetrapeptide unfolding dynamics followed by core-level spectroscopy: a first-principles approach
    Taioli, Simone / Simonucci, Stefano / a Beccara, Silvio / Garavelli, Marco et al. | 2015
    11277
    On the mechanism of methanol photooxidation to methylformate and carbon dioxide on TiO2: an operando-FTIR study
    El-Roz, Mohamad / Bazin, Philippe / Daturi, Marco / Thibault-Starzyk, Frederic et al. | 2015
    11277
    On the mechanism of methanol photooxidation to methylformate and carbon dioxide on TiO2: an operando-FTIR studyElectronic supplementary information (ESI) available: Calibration curves of methanol and CO2, MS signals and IR spectra of the gas phase of natural and labeled methanol photooxidation. See DOI: 10.1039/c5cp00726g
    Bazin, Philippe et al. | 2015
    11284
    Coalescence of water films on carbon-based substrates: the role of the interfacial properties and anisotropic surface topography
    Ren, Hongru / Li, Xiongying / Li, Hui / Zhang, Leining / Wu, Weikang et al. | 2015
    11292
    Spin transport properties in lower n-acene–graphene nanojunctions
    Zou, Dongqing / Cui, Bin / Kong, Xiangru / Zhao, Wenkai / Zhao, Jingfen / Liu, Desheng et al. | 2015
    11301
    Pore collapse and regrowth in silicon electrodes for rechargeable batteries
    DeCaluwe, S. C. / Dhar, B. M. / Huang, L. / He, Y. / Yang, K. / Owejan, J. P. / Zhao, Y. / Talin, A. A. / Dura, J. A. / Wang, H. et al. | 2015
    11313
    Poly(3-hydroxybutyrate-co-4-hydroxybutyrate) based nanocomposites: influence of the microstructure on the barrier properties
    Crétois, R. / Follain, N. / Dargent, E. / Soulestin, J. / Bourbigot, S. / Marais, S. / Lebrun, L. et al. | 2015
    11324
    Modulation of band gap by an applied electric field in silicene-based hetero-bilayers
    Nigam, Sandeep / Gupta, Sanjeev K. / Majumder, C. / Pandey, Ravindra et al. | 2015
    11324
    Modulation of band gap by an applied electric field in silicene-based hetero-bilayersElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05462h
    Nigam, Sandeep et al. | 2015
    11329
    Deigning veratile heterogeneou catalyt baed on Ag and Au nanoparticle decorated on chitoan functionalized graphene oxide
    Rajesh, Rajendiran / Sujanthi, E. / Senthil Kumar, S. / Venkatesan, Rengarajan et al. | 2015
    11329
    Designing versatile heterogeneous catalysts based on Ag and Au nanoparticles decorated on chitosan functionalized graphene oxide
    Rajesh, R. / Sujanthi, E. / SenthilKumar, S. / Venkatesan, R. et al. | 2015
    11341
    Fingerprints of short-range and long-range structure in BaZr1−xHfxO3 solid solutions: an experimental and theoretical studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05448b
    Andrés, Juan et al. | 2015
    11341
    Fingerprints of short-range and long-range structure in BaZr1−xHfxO3 solid solutions: an experimental and theoretical study
    Uarth Fassbender, Rafael / Strelow Lilge, Tatiane / Cava, Sergio / Andrés, Juan / Fernando da Silva, Lui / Roberto Mastelaro, Valmor / Longo, Elson / Lucio Moreira, Mario et al. | 2015
    11350
    Internal heavy atom effects in phenothiazinium dyes: enhancement of intersystem crossing via vibronic spin–orbit coupling
    Rodriguez-Serrano, Angela / Rai-Constapel, Vidisha / Daza, Martha C. / Doerr, Marku / Marian, Christel M. et al. | 2015
    11359
    Atomically mixed Fe-group nanoalloys: catalyst design for the selective electrooxidation of ethylene glycol to oxalic acid
    Matsumoto, Takeshi / Sadakiyo, Masaaki / Ooi, Mei Lee / Yamamoto, Tomokazu / Matsumura, Syo / Kato, Kenichi / Takeguchi, Tatsuya / Ozawa, Nobuki / Kubo, Momoji / Yamauchi, Miho et al. | 2015
    11359
    Atomically mixed Fe-group nanoalloys: catalyst design for the selective electrooxidation of ethylene glycol to oxalic acidElectronic supplementary information (ESI) available: General procedures, synthetic operations, measurements (powder XRD, cyclic voltammetry, and chronoamperometry) and the definition of the number of electrons, current efficiency, selectivity, chemical compositions of NA and NP catalysts, EDX line scan analysis results, TEM images of NP catalysts, CV curves of Fe-group NA catalysts, adsorption configuration of glycolic acid on FeCo(001) and FeCoNi(111) surfaces, and the change in the C-C bond distances of glycolic acid on their surface. See DOI: 10.1039/c5cp00954e
    Ooi, Mei Lee et al. | 2015
    11367
    Li adsorption, hydrogen storage and dissociation using monolayer MoS2: an ab initio random structure searching approach
    Putungan, Darwin Barayang / Lin, Shi-Hsin / Wei, Ching-Ming / Kuo, Jer-Lai et al. | 2015
    11367
    Li adsorption, hydrogen storage and dissociation using monolayer MoS2: an ab initio random structure searching approachElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00977d
    Wei, Ching-Ming et al. | 2015
    11375
    The synergistic mechanism of graphene and MoS2 for hydrogen generation: insights from density functional theory
    Yuan, Yanli / Gong, Xiping / Wang, Hongming et al. | 2015
    11382
    A combined molecular dynamic and quantum mechanic study of the solvent and guest molecule effect on the stability and length of heterocyclic peptide nanotubes
    Izadyar, Mohammad / Khavani, Mohammad / Housaindokht, Mohammad Reza et al. | 2015
    11382
    A combined molecular dynamic and quantum mechanic study of the solvent and guest molecule effect on the stability and length of heterocyclic peptide nanotubesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00973a
    Housaindokht, Mohammad Reza et al. | 2015
    11392
    Coverage-dependent thermodynamic analysis of the formation of water and hydrogen peroxide on a platinum model catalyst
    de Morais, Rodrigo Ferreira / Franco, Alejandro A. / Sautet, Philippe / Loffreda, David et al. | 2015
    11401
    Disentangling vibronic and solvent broadening effects in the absorption spectra of coumarin derivatives for dye sensitized solar cells
    Cerezo, Javier / Avila Ferrer, Francisco J. / Santoro, Fabrizio et al. | 2015
    11412
    Pdots, a new type of nanoparticle, bind to mTHPC via their lipid modified surface and exhibit very high FRET efficiency between the core and the sensitizer
    Haupt, Sara / Lazar, Itay / Weitman, Hana / Senge, Mathias O. / Ehrenberg, Benjamin et al. | 2015
    11423
    Painting biological low-frequency vibrational modes from small peptides to proteins
    Perticaroli, S. / Russo, D. / Paolantoni, M. / Gonzalez, M. A. / Sassi, P. / Nickels, J. D. / Ehlers, G. / Comez, L. / Pellegrini, E. / Fioretto, D. et al. | 2015
    11423
    Painting biological low-frequency vibrational modes from small peptides to proteinsElectronic supplementary information (ESI) available: Additional details on MD simulations; integrated intensity of SFDLS spectra of lysozyme; graphical summary of methyl groups' dynamics of hydrated NALMA powders from MD simulations. See DOI: 10.1039/c4cp05388e
    Morresi, A et al. | 2015
    11432
    The role of chemisorbed hydroxyl species in alkaline electrocatalysis of glycerol on gold
    Shi, X. / Simpson, D. E. / Roy, D. et al. | 2015
    11432
    The role of chemisorbed hydroxyl species in alkaline electrocatalysis of glycerol on goldElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00313j
    Roy, D et al. | 2015
    11445
    Structure determination of bound nitrogen-based adducts with copper(ii) acetylacetonato; an EPR, ENDOR and DFT study
    Carter, Emma / Sharples, Katherine M. / Platts, James A. / Murphy, Damien M. et al. | 2015
    11455
    Diffusion of molecules in the bulk of a low density amorphous ice from molecular dynamics simulations
    Ghesquière, P. / Mineva, T. / Talbi, D. / Theulé, P. / Noble, J. A. / Chiavassa, T. et al. | 2015
    11455
    Diffusion of molecules in the bulk of a low density amorphous ice from molecular dynamics simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00558b
    Talbi, D et al. | 2015
    11469
    Imaging the C black formation by acetylene pyrolysis with molecular reactive force field simulations
    Zhang, Chaoyang / Zhang, Chi / Ma, Yu / Xue, Xianggui et al. | 2015
    11481
    Upconversion luminescence mechanisms of Er3+ ions under excitation of an 800 nm laser
    Shang, Xiaoying / Chen, Ping / Jia, Tianqing / Feng, Donghai / Zhang, Shian / Sun, Zhenrong / Qiu, Jianrong et al. | 2015
    11499
    The reactivity of stoichiometric tungsten oxide clusters towards carbon monoxide: the effects of cluster sizes and charge states
    Lin, Shu-Juan / Cheng, Jing / Zhang, Chang-Fu / Wang, Bin / Zhang, Yong-Fan / Huang, Xin et al. | 2015
    11509
    Controlled synthesis of monodisperse a-calcium sulfate hemihydrate nanoellipsoids with a porous structure
    Jiang, G. / Chen, Q. / Jia, C. / Zhang, S. / Wu, Z. / Guan, B. et al. | 2015
    11509
    Controlled synthesis of monodisperse α-calcium sulfate hemihydrate nanoellipsoids with a porous structure
    Jiang, Guangming / Chen, Qiaoshan / Jia, Caiyun / Zhang, Sen / Wu, Zhongbiao / Guan, Baohong et al. | 2015
    11516
    High intrinsic carrier mobility and photon absorption in the perovskite CH3NH3PbI3
    Wang, Youwei / Zhang, Yubo / Zhang, Peihong / Zhang, Wenqing et al. | 2015
    11521
    Exploring the electronic properties and cation complexation of polyoxoaurates [AuIII4X4Om]n− (X = SiIV, PV, GeIV, AsV, and SeIV) using quantum chemical calculations
    Wu, Caixia / Ma, Tengying / Yan, Likai / Zhang, Ting / Su, Zhongmin et al. | 2015
    11521
    Exploring the electronic properties and cation complexation of polyoxoaurates [AuIII4X4Om]n− (X = SiIV, PV, GeIV, AsV, and SeIV) using quantum chemical calculationsElectronic supplementary information (ESI) available: The frontier molecular orbitals of [AuIII4X4Om]n− (X = Si, Ge, P, and Se), the structural parameters and the EDA analysis of Au4Se4 with alkali cations and coordinates of the optimized structures. See DOI: 10.1039/c4cp06042c
    Wu, Caixia et al. | 2015
    11527
    Enhancing electrochemical performance by control of transport properties in buffer layers – solid oxide fuel/electrolyser cells
    Ramasamy, Devaraj / Nasani, Narendar / Brandão, Ana D. / Pérez Coll, Domingo / Fagg, Duncan P. et al. | 2015
    11546
    Fabrication of charged membranes by the solvent-assisted lipid bilayer (SALB) formation method on SiO2 and Al2O3
    Tabaei, Seyed R. / Vafaei, Setareh / Cho, Nam-Joon et al. | 2015
    11546
    Fabrication of charged membranes by the solvent-assisted lipid bilayer (SALB) formation method on SiO2 and Al2O3Electronic supplementary information (ESI) available. See DOI: 10.1039/c5cp01428j
    Cho, Nam-Joon et al. | 2015
    11553
    The influence of polaron formation on exciton dissociation
    Li, Guangqi et al. | 2015
    11569
    Strongly correlated plexcitonics: evolution of the Fano resonance in the presence of Kondo correlations
    Goker, A. et al. | 2015
    11577
    What is the transfer mechanism of photogenerated carriers for the nanocomposite photocatalyst Ag3PO4/g-C3N4, band–band transfer or a direct Z-scheme?
    Meng, Sugang / Ning, Xiaofeng / Zhang, Tao / Chen, Shi-Fu / Fu, Xianliang et al. | 2015
    11586
    Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic framework
    Cliffe, Matthew J. / Hill, Joshua A. / Murray, Claire A. / Coudert, François-Xavier / Goodwin, Andrew L. et al. | 2015
    11593
    Large piezoelectric response of BiFeO3/BaTiO3 polycrystalline films induced by the low-symmetry phase
    Hou, Y. F. / Li, W. L. / Zhang, T. D. / Wang, W. / Cao, W. P. / Liu, X. L. / Fei, W. D. et al. | 2015
    11598
    Geometric stability and reaction activity of Pt clusters adsorbed graphene substrates for catalytic CO oxidation
    Tang, Yanan / Lu, Zhansheng / Chen, Weiguang / Li, Wei / Dai, Xianqi et al. | 2015
    11609
    Electro-catalytic oxidation of hemicelluloses at the Au electrode
    Sugano, Yasuhito / Saloranta, Tiina / Bobacka, Johan / Ivaska, Ari et al. | 2015
    11615
    Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: an ab initio molecular dynamics study
    Carbonniere, Philippe / Pouchan, Claude / Improta, Roberto et al. | 2015
    11615
    Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: an ab initio molecular dynamics studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05265j
    Improta, Roberto et al. | 2015
    11627
    Effect of spacer chain length on the liquid structure of aqueous dicationic ionic liquid solutions: molecular dynamics studies
    Palchowdhury, Sourav / Bhargava, B. L. et al. | 2015
    11627
    Effect of spacer chain length on the liquid structure of aqueous dicationic ionic liquid solutions: molecular dynamics studiesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00873e
    Palchowdhury, Sourav et al. | 2015
    11638
    Orbital change manipulation metal–insulator transition temperature in W-doped VO2
    He, Xinfeng / Zeng, Yijie / Xu, Xiaofeng / Gu, Congcong / Chen, Fei / Wu, Binhe / Wang, Chunrui / Xing, Huaizhong / Chen, Xiaoshuang / Chu, Junhao et al. | 2015
    11647
    First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction
    Tripkovic, Vladimir / Hansen, Heine Anton / Rossmeisl, Jan / Vegge, Tej et al. | 2015
    11658
    Gas-phase rate coefficients of the reaction of ozone with four sesquiterpenes at 295 ± 2 KElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05542j
    Berndt, Torsten et al. | 2015
    11658
    Gas-phase rate coefficients of the reaction of ozone with four sesquiterpenes at 295 ± 2 K
    Richters, Stefanie / Herrmann, Hartmut / Berndt, Torsten et al. | 2015
    11670
    Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of a-Al2O3
    Erba, A. / Maul, J. / Demichelis, R. / Dovesi, R. et al. | 2015
    11678
    The influence of poly(ethylene glycol) on the micelle formation of alkyl maltosides used in membrane protein crystallizationElectronic supplementary information (ESI) available: Data concerning the analysis of titration curves (Tables 2-4), parameters used in molecular thermodynamic modeling (Tables 5 and 6) as well as plots of transfer free energies (Fig. 9) and molecular surface areas (Fig. 10) of alkanes over the number of carbon atoms, density (Fig. 11) and molarity (Fig. 12) of buffer solutions and the molarity correction term (Fig. 13) as a function of PEG concentration. See DOI: 10.1039/c5cp00431d
    Zouni, Athina et al. | 2015
    11678
    The influence of poly(ethylene glycol) on the micelle formation of alkyl maltoide ued in membrane protein crytallization
    Müh, Frank / DiFiore, Dörte / Zouni, Athina et al. | 2015
    11678
    The influence of poly(ethylene glycol) on the micelle formation of alkyl maltosides used in membrane protein crystallization
    Muh, F. / DiFiore, D. / Zouni, A. et al. | 2015
    11692
    Bipolar doping of double-layer graphene vertical heterostructures with hydrogenated boron nitrideElectronic supplementary information (ESI) available: Calculated Dirac band energy spectrum (above the Fermi level part) of DLG; plane averaged potential energies of DLG with the expanded interlayer distances; band structures of single layer graphene adsorption on HNBH; the Fermi level shifts versus the averaged interlayer distances in two graphene layers with unequal expansions; using hydrofluorinated graphene Gr-(FxH1−x)CCH-Gr as the sandwich layer, the DLG with a controllable doping level by adjusting the F atom concentrations; using the hydro-fluorinated graphene Gr-FCCH-Gr as the sandwich layer, the graphene Fermi level shifts versus the average interlayer distances; and the electrostatic doping model for the double-layer graphene heterostructure (in the S2) are collected. See DOI: 10.1039/c5cp01284h
    Liu, Zhun et al. | 2015
    11692
    Bipolar doping of double-layer graphene vertical heterostructures with hydrogenated boron nitride
    Liu, Zhun / Wang, Ru-Zhi / Liu, Li-Min / Lau, Woon-Ming / Yan, Hui et al. | 2015
    11700
    Molybdenum disulfide as a highly efficient adsorbent for non-polar gases
    Yu, Ningning / Wang, Lu / Li, Min / Sun, Xiaotian / Hou, Tingjun / Li, Youyong et al. | 2015
    11705
    Spatially confined catalysis-enhanced high-temperature carbon dioxide electrolysis
    Yang, Liming / Xue, Xingjian / Xie, Kui et al. | 2015
    11715
    Bent-core liquid crystalline cyanostilbenes: fluorescence switching and thermochromism
    Martínez-Abadía, Marta / Varghese, Shinto / Milián-Medina, Begoña / Gierschner, Johanne / Giménez, Raquel / Ros, M. Blanca et al. | 2015
    11715
    Bent-core liquid crystalline cyanostilbenes: fluorescence switching and thermochromismElectronic supplementary information (ESI) available: Synthesis, NMR spectra and DSC thermograms of compounds β-BC4 and β,β-BC4. Additional photophysical data and quantum chemical calculations. See DOI: 10.1039/c5cp00696a
    Martínez-Abadía, Marta et al. | 2015
    11725
    Electrocapillary coupling at rough surfaces
    Deng, Qibo / Gosslar, Daniel-Hendrik / Smetanin, Maxim / Weissmüller, Jörg et al. | 2015
    11732
    A new potential energy surface for the ground electronic state of the LiH2 system, and dynamics studies on the H(2S) + LiH(X1Σ+) → Li(2S) + H2(X1Σg+) reaction
    Yuan, Jiuchuang / He, Di / Chen, Maodu et al. | 2015
    11740
    A density functional theory based study of the electron transfer reaction at the cathode-electrolyte interface in lithium-air batteries
    Dutta, Prashanta et al. | 2015
    11740
    A denity functional theory baed tudy of the electron tranfer reaction at the cathode–electrolyte interface in lithium–air batterie
    Kazemiabnavi, Saeed / Dutta, Prahanta / Banerjee, Soumik et al. | 2015
    11752
    State-to-state vacuum ultraviolet photodissociation study of CO2 on the formation of state-correlated CO(X1Σ+; v) with O(1D) and O(1S) photoproducts at 11.95–12.22 eV
    Lu, Zhou / Chang, Yih Chung / Benitez, Yanice / Luo, Zhihong / Houria, Adel Ben / Ayari, Tarek / Al Mogren, Muneerah Mogren / Hochlaf, M. / Jackson, W. M. / Ng, C. Y. et al. | 2015
    11752
    State-to-state vacuum ultraviolet photodissociation study of CO2 on the formation of state-correlated CO(X1Σ+; v) with O(1D) and O(1S) photoproducts at 11.95-12.22 eVElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp01321f
    Houria, Adel Ben et al. | 2015
    11763
    Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00156k
    Zhang, Litong et al. | 2015
    11763
    Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study
    Yu, Shuyin / Zeng, Qingfeng / Oganov, Artem R. / Frapper, Gille / Zhang, Litong et al. | 2015
    11770
    β-Isocyanoalanine as an IR probe: comparison of vibrational dynamics between isonitrile and nitrile-derivatized IR probes
    Maj, Michał / Ahn, Changwoo / Kossowska, Dorota / Park, Kwanghee / Kwak, Kyungwon / Han, Hogyu / Cho, Minhaeng et al. | 2015
    11770
    b-Isocyanoalanine as an IR probe: comparison of vibrational dynamics between isonitrile and nitrile-derivatized IR probes
    Maj, M. / Ahn, C. / Kossowska, D. / Park, K. / Kwak, K. / Han, H. / Cho, M. et al. | 2015
    11779
    Nonideal effects in electroacoustics of solutions of charged particles: combined experimental and theoretical analysis from simple electrolytes to small nanoparticles
    Gourdin-Bertin, S et al. | 2015
    11779
    Nonideal effect in electroacoutic of olution of charged particle combined experimental and theoretical analyi from imple electrolyte to mall nanoparticle
    Pusset, R. / Gourdin-Bertin, S. / Dubois, E. / Chevalet, J. / Mériguet, G. / Bernard, O. / Dahirel, V. / Jardat, M. / Jacob, D. et al. | 2015
    11790
    Enhanced field emission from in situ synthesized 2D copper sulfide nanoflakes at low temperature by using a novel controllable solvothermal preferred edge growth route
    Song, Zengcai / Lei, Hongwei / Li, Borui / Wang, Haoning / Wen, Jian / Li, Songzhan / Fang, Guojia et al. | 2015
    11796
    Experimental and theoretical studies on aqueous-phase reactivity of hydroxyl radicals with multiple carboxylated and hydroxylated benzene compounds
    Minakata, Daisuke / Song, Weihua / Mezyk, Stephen P. / Cooper, William J. et al. | 2015
    11813
    Fragmentation mechanisms of cytosine, adenine and guanine ionized bases
    Sadr-Arani, Leila / Mignon, Pierre / Chermette, Henry / Abdoul-Carime, Hassan / Farizon, Bernadette / Farizon, Michel et al. | 2015
    11827
    Electrochemistry at highly oriented pyrolytic graphite (HOPG): lower limit for the kinetics of outer-sphere redox processes and general implications for electron transfer models
    Zhang, Guohui / Cuharuc, Anatolii S. / Güell, Aleix G. / Unwin, Patrick R. et al. | 2015
    11839
    XPS of guanidinium ionic liquids: a comparison of charge distribution in nitrogenous cationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp01069a
    Licence, Peter et al. | 2015
    11839
    XPS of guanidinium ionic liquids: a comparison of charge distribution in nitrogenous cations
    Santos, Ana R. / Blundell, Rebecca K. / Licence, Peter et al. | 2015
    11848
    On the relation of energy and electron transfer in multidimensional chromophores based on polychlorinated triphenylmethyl radicals and triarylaminesElectronic supplementary information (ESI) available: Discussion of synthesis, NMR spectra of HAB-S, HAB-A and HAB-Model, discussion of electrochemistry, electron paramagnetic resonance and spectroelectrochemistry data, transient absorption raw data, experimental part, MatLab script for global analysis. See DOI: 10.1039/c4cp05929h
    Griesbeck, Stefanie et al. | 2015
    11848
    On the relation of energy and electron tranfer in multidimenional chromophore baed on polychlorinated triphenylmethyl radical and triarylamine
    Steeger, Marku / Griesbeck, Stefanie / Schmiedel, Alexander / Holzapfel, Marco / Krummenacher, Ivo / Braunschweig, Holger / Lambert, Chritoph et al. | 2015
    11848
    On the relation of energy and electron transfer in multidimensional chromophores based on polychlorinated triphenylmethyl radicals and triarylamines
    Steeger, M. / Griesbeck, S. / Schmiedel, A. / Holzapfel, M. / Krummenacher, I. / Braunschweig, H. / Lambert, C. et al. | 2015
    11868
    Simultaneous DNP enhancements of 1H and 13C nuclei: theory and experiments
    Shimon, Daphna / Hovav, Yonatan / Kaminker, Ilia / Feintuch, Akiva / Goldfarb, Daniella / Vega, Shimon et al. | 2015
    11868
    Simultaneous DNP enhancements of 1H and 13C nuclei: theory and experimentsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00406c
    Shimon, Daphna et al. | 2015
    11884
    The effect of polymer solubilizing side-chains on solar cell stability
    Morse, Graham E. / Tournebize, Aurélien / Rivaton, Agnè / Chassé, Thoma / Taviot-Gueho, Christine / Blouin, Nicola / Lozman, Owen R. / Tierney, Steven et al. | 2015
    11884
    The effect of polymer solubilizing side-chains on solar cell stabilityElectronic supplementary information (ESI) available: Including additional UV-Vis, FTIR and AFM images. See DOI: 10.1039/c5cp01158b
    Blouin, Nicolas et al. | 2015
    11898
    A THz/FTIR fingerprint of the solvated proton: evidence for Eigen structure and Zundel dynamics
    Decka, Dominique / Schwaab, Gerhard / Havenith, Martina et al. | 2015
    11908
    Electronic structures and current conductivities of B, C, N and F defects in amorphous titanium dioxide
    Pham, Hieu H. / Wang, Lin-Wang et al. | 2015
    11915
    Inside back cover
    | 2015
    11916
    Back cover
    | 2015
    The reactivity of stoichiometric tungsten oxide clusters towards carbon monoxide: the effects of cluster sizes and charge statesElectronic supplementary information (ESI) available: Structural details of the reactants, intermediates, transition states and the products shown in the energy profiles of Fig. 4-7, 9 and 10. The numerical electron spin density (in |e|) of the structures presented in the energy profiles of Fig. 4-7. Cartesian coordinates for all structures presented in Fig. 4-7, 9 and 10. See DOI: 10.1039/c5cp00529a
    Cheng, Jing et al. | 2015
    High intrinsic carrier mobility and photon absorption in the perovskite CH3NH3PbI3Electronic supplementary information (ESI) available. See DOI: 10.1039/c5cp00448a
    Zhang, Wenqing et al. | 2015
    Band energies of nanoparticle semiconductor electrodes determined by spectroelectrochemical measurements of free electronsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp01714a
    Mandal, Dhritabrata et al. | 2015
    Imaging the C black formation by acetylene pyrolysis with molecular reactive force field simulationsElectronic supplementary information (ESI) available: This contains comparisons of pyrolysis evolution under various conditions; evolution of C11-C20 under the condition of 0.1 g cm−3 and 3500 K, C4, C6 particles under the condition of 0.01 g cm−3 and total amount of all C particles under different conditions. See DOI: 10.1039/c5cp00926j
    Zhang, Chi et al. | 2015
    Designing versatile heterogeneous catalysts based on Ag and Au nanoparticles decorated on chitosan functionalized graphene oxideElectronic supplementary information (ESI) available: Detailed SEM, EDX, TEM and surface analyses of GO, GO-Chit and GO-Chit-Ag/AuNPs. Detailed UV-Vis kinetics for the effective catalytic dosage for reduction of p-nitrophenol, degradation of MO and CR azo dyes. See DOI: 10.1039/c5cp00682a
    Senthil Kumar, S et al. | 2015

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