Coalescence behavior of liquid immiscible metal drops in two-wall confinement (English)
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Physical chemistry, chemical physics
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18
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; 275-2756
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2016
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- Article (Journal) / Print
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Title:Coalescence behavior of liquid immiscible metal drops in two-wall confinement
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Published in:Physical chemistry, chemical physics ; 18, 39 ; 275-2756
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- New search for: The Royal Soc. of Chemistry
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Place of publication:Cambridge
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Publication date:2016
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
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Table of contents – Volume 18, Issue 39
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.
- 27001
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Front cover| 2016
- 27002
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Inside front cover| 2016
- 27003
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Contents list| 2016
- 273
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Reactivity of electrophilic chlorine atoms due to σ-holes: a mechanistic assessment of the chemical reduction of a trichloromethyl group by sulfur nucleophilesElectronic supplementary information (ESI) available: S1: Experimental procedures and NMR data. S2: Full Gaussian and image processing software references. S3: Cartesian coordinates of optimized structures. S4: List of maximum surface electrostatic potentials. S5: References. See DOI: 10.1039/c6cp04321fCaballero-García, Guillermo et al. | 2016
- 27500
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Coalescence behavior of liquid immiscible metal drops in two-wall confinementLi, Tao / Wu, Weikang / Li, Hui et al. | 2016
- 279
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How photon pump fluence changes the charge carrier relaxation mechanism in an organic-inorganic hybrid lead triiodide perovskiteElectronic supplementary information (ESI) available: Equation for the calculation of photon fluence. Description of the inverse of ΔOD dependence on the pump-probe delay time. Tables listing the values of the time constants and normalized (to 100) pre-exponential factors for the FAPbI3 film upon excitation at 600 and 800 nm. Transient absorption vis-NIR spectra of the FAPbI3 film upon excitation at 400 and 800 nm. Transient absorption spectra in the region between 470-560 nm. Transient absorption decays of the excited FAPbI3 film. The inverse of ΔOD−2 with pump-probe delay time. The comparison of transient absorption and terahertz kinetics upon excitation at 400 and 800 nm. See DOI: 10.1039/c6cp02682fPiatkowski, Piotr et al. | 2016
- 27102
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Light stability tests of CH3NH3PbI3 perovskite solar cells using porous carbon counter electrodesIto, Seigo / Mizuta, Gai / Kanaya, Shusaku / Kanda, Hiroyuki / Nishina, Tomoya / Nakashima, Seiji / Fujisawa, Hironori / Shimizu, Masaru / Haruyama, Yuichi / Nishino, Hitoshi et al. | 2016
- 2717
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A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamicsElectronic supplementary information (ESI) available: Additional computational details, orbitals included in our SA3-CASSCF(10,8) active space (Fig. S1), xyz geometries (Tables S1-S3), LIIC pathways computed at the SA3-CASSCF(10,8) and LS-XMS-CASPT2 levels and supplementary two-dimensional heat-density maps (Fig. S2) characterising the motion reported in this communication. See DOI: 10.1039/c6cp05518dRankine, C. D et al. | 2016
- 27190
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Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solidsCorzilius, Björn et al. | 2016
- 2719
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A close examination of the structure and dynamics of HC(NH2)2PbI3 by MD simulations and group theoryElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02917eCarignano, M. A et al. | 2016
- 27024
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Physical chemistry of hybrid perovskite solar cellsWalsh, Aron / Padure, Nitin P. / Il Seok, Sang et al. | 2016
- 2725
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Gd(iii) and Mn(ii) complexes for dynamic nuclear polarization: small molecular chelate polarizing agents and applications with site-directed spin labeling of proteinsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04623aKaushik, Monu et al. | 2016
- 2729
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Orientation and stability of a bi-functional aromatic organic molecular adsorbate on siliconElectronic supplementary information (ESI) available: Supplementary methodology. See DOI: 10.1039/c6cp04328cO'Donnell, K. M et al. | 2016
- 2738
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Effects of chemical substitutions on the properties of azacalixphyrins: a first-principles studyElectronic supplementary information (ESI) available: (i) Representation of the possible tautomers of the neutral 1; (ii) absorption spectra of neutral and diprotonated species with the B3LYP method; (iii) complete list of excitation energies and oscillator strengths of neutral and diprotonated azacalixphyrins; (iv) impact of solvation on the absorption spectra of the diprotonated azacalixphyrins; (v) HOMO and LUMO of the diprotonated azacalixphyrins; (vi) density difference plots for the S1 ← S0 transition; (vii) molecular structures of azacalixphyrins in their diprotonated and neutral (tautomer 1-5) forms. See DOI: 10.1039/c6cp05946eMarchand, Gabriel et al. | 2016
- 2739
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Understanding molecular self-assembly of a diol compound by considering competitive interactionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05818cArado, Oscar Díaz et al. | 2016
- 27405
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Mechanical responses of borophene sheets: a first-principles studyMortazavi, Bohayra / Rahaman, Obaidur / Dianat, Arezoo / Rabczuk, Timon et al. | 2016
- 2745
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Quantum molecular motion in the mixed ion-radical complex, [(H2O)(H2S)]+Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05299aFloris, S. D et al. | 2016
- 2746
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QM/MM calculations on a newly synthesised oxyluciferin substrate: new insights into the conformational effectElectronic supplementary information (ESI) available: Graphical representation of the molecule DLSA and the complex OxyLH2 + AMPH. TD-DFT/MM results of Te with the 6-31G(d,p) basis set. TD-DFT/MM results of Te with the 6-311G(2d,p) basis set for different functionals. TD-DFT/MM results of Te with the 6-311G(2d,p) basis set for different solvents. CAS orbitals of all emitters. MS-CASPT2/MM results of Te with 2 and 4 roots used in the calculation with an IPEA shift of 0.25. Comparison of MS-CASPT2/MM results of Te with 2 different IPEA shifts (0.25 and 0.1). Representation of the H-bond network in Ser_OxyLH2 before and after classical molecular dynamics. Graphical representation of the free energy of the system during the MD on Ser_OxyLH2. Graphical representation of the dihedral angle N-CA-CB-OG in serine 284 during the MD of Ser_OxyLH2. QM/MM results of Te for Ser_OxyLH2 before and after classical molecular dynamics. Representation of the H-bond network of the model Ser_OxyiLH2-2 and Ala_OxyiLH2-2. Comparison of the structures of OxyLH2. Schematic representation of OxyiLH2-Z-1 and OxyiLH2-Z-2, TD-DFT/MM results of Te with the 6-311G(2d,p) basis set for OxyiLH2-Z-1 and OxyiLH2-Z-2, Cartesian coordinates of OxyiLH2 of the 6 models presented in Table 4. See DOI: 10.1039/c6cp02585dBerraud-Pache, Romain et al. | 2016
- 2751
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Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskitesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03474hLeguy, Aurélien M. A et al. | 2016
- 27630
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Mass effects in the photodissociation of homonuclear diatomic molecules in helium nanodroplets: inelastic collision and viscous flow energy exchange regimesVilà, Arnau / González, Miguel et al. | 2016
- 2763
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Highly luminescent and stable lyotropic liquid crystals based on a europium β-diketonate complex bridged by an ethylammonium cationElectronic supplementary information (ESI) available: Details on the calculation method of LLC lattice parameters and luminescent parameters are provided. Pertinent crystallographic data and refinement parameters are collected. Luminescence decay curves of samples at different states and FTIR spectrum of EA-Eu complex are also included. CCDC 1497194. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6cp05940fYi, Sijing et al. | 2016
- 27067
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Low temperature synthesis of hierarchical TiO2 nanostructures for high performance perovskite solar cells by pulsed laser depositionYang, Bin / Mahjouri-Samani, Masoud / Rouleau, Christopher M. / Geohegan, David B. / Xiao, Kai et al. | 2016
- 2773
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How to regulate energy levels and hole mobility of spiro-type hole transport materials in perovskite solar cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03316dChi, Wei-Jie et al. | 2016
- 2778
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Hole-conductor-free perovskite solar cells with carbon counter electrodes based on ZnO nanorod arraysElectronic supplementary information (ESI) available: Experimental details, TEM image and its corresponding SAED pattern of the ZnO NR; SEM images of ZnO seeds layer; SEM images, XRD patterns and UV-vis spectra of ZnO NR/perovskite and ZnO/TiO2 electrodes; TEM images and EDS pattern of the ZnO/TiO2 NR, and J-V curve of TiO2 NR based PSC; the overall distributions of performance parameters for 30 devices. See DOI: 10.1039/c6cp04793aWang, B. X et al. | 2016
- 2783
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An efficient perovskite solar cell with symmetrical Zn(ii) phthalocyanine infiltrated buffering porous Al2O3 as the hybrid interfacial hole-transporting layerElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03396bGao, P et al. | 2016
- 27026
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Strategic improvement of the long-term stability of perovskite materials and perovskite solar cellsXu, Tingting / Chen, Lixin / Guo, Zhanhu / Ma, Tingli et al. | 2016
- 27051
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Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskitesLeguy, Aurélien M. A. / Goñi, Alejandro R. / Frost, Jarvist M. / Skelton, Jonathan / Brivio, Federico / Rodríguez-Martínez, Xabier / Weber, Oliver J. / Pallipurath, Anuradha / Alonso, M. Isabel / Campoy-Quiles, Mariano et al. | 2016
- 27073
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How to regulate energy levels and hole mobility of spiro-type hole transport materials in perovskite solar cellsChi, Wei-Jie / Sun, Ping-Ping / Li, Ze-Sheng et al. | 2016
- 27078
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Hole-conductor-free perovskite solar cells with carbon counter electrodes based on ZnO nanorod arraysWang, B. X. / Liu, T. F. / Zhou, Y. B. / Chen, X. / Yuan, X. B. / Yang, Y. Y. / Liu, W. P. / Wang, J. M. / Han, H. W. / Tang, Y. W. et al. | 2016
- 27083
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An efficient perovskite solar cell with symmetrical Zn(ii) phthalocyanine infiltrated buffering porous Al2O3 as the hybrid interfacial hole-transporting layerGao, P. / Cho, K. T. / Abate, A. / Grancini, G. / Reddy, P. Y. / Srivasu, M. / Adachi, M. / Suzuki, A. / Tsuchimoto, K. / Grätzel, M. et al. | 2016
- 27090
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How photon pump fluence changes the charge carrier relaxation mechanism in an organic–inorganic hybrid lead triiodide perovskitePiatkowski, Piotr / Cohen, Boiko / Kazim, Samrana / Ahmad, Shahzada / Douhal, Abderrazzak et al. | 2016
- 27109
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A close examination of the structure and dynamics of HC(NH2)2PbI3 by MD simulations and group theoryCarignano, M. A. / Saeed, Y. / Aravindh, S. Assa / Roqan, I. S. / Even, J. / Katan, C. et al. | 2016
- 27119
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Modulating carrier dynamics through perovskite film engineeringLim, Swee Sien / Chong, Wee Kiang / Solanki, Ankur / Dewi, Herlina Arianita / Mhaisalkar, Subodh / Mathews, Nripan / Sum, Tze Chien et al. | 2016
- 27119
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Modulating carrier dynamics through perovskite film engineeringElectronic supplementary information (ESI) available: Experimental methods and synthesis of materials and XRD and TA spectra of the various perovskite films, TRPL and steady-state PL of perovskite films with quenching layers. See DOI: 10.1039/c6cp02640kLim, Swee Sien et al. | 2016
- 27124
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Structural and electronic features of small hybrid organic–inorganic halide perovskite clusters: a theoretical analysisGiorgi, Giacomo / Yoshihara, Tomohiro / Yamashita, Koichi et al. | 2016
- 27124
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Structural and electronic features of small hybrid organic-inorganic halide perovskite clusters: a theoretical analysisElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03193eGiorgi, Giacomo et al. | 2016
- 27133
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Multinuclear NMR as a tool for studying local order and dynamics in CH3NH3PbX3 (X = Cl, Br, I) hybrid perovskitesRoiland, Claire / Trippé-Allard, Gaelle / Jemli, Khaoula / Alonso, Bruno / Ameline, Jean-Claude / Gautier, Régi / Bataille, Thierry / Le Pollès, Laurent / Deleporte, Emmanuelle / Even, Jacky et al. | 2016
- 27133
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Multinuclear NMR as a tool for studying local order and dynamics in CH3NH3PbX3 (X = Cl, Br, I) hybrid perovskitesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02947gRoiland, Claire et al. | 2016
- 27143
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Understanding of the formation of shallow level defects from the intrinsic defects of lead tri-halide perovskitesKim, Jongseob / Chung, Choong-Heui / Hong, Ki-Ha et al. | 2016
- 27143
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Understanding of the formation of shallow level defects from the intrinsic defects of lead tri-halide perovskitesElectronic supplementary information (ESI) available: Lattice structures, band gap, and defect formation energies of MAPbX3. See DOI: 10.1039/c6cp02886aKim, Jongseob et al. | 2016
- 27148
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Influence of the mixed organic cation ratio in lead iodide based perovskite on the performance of solar cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03851dSalado, Manuel et al. | 2016
- 27148
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Influence of the mixed organic cation ratio in lead iodide based perovskite on the performance of solar cellsSalado, Manuel / Calio, Laura / Berger, Rüdiger / Kazim, Samrana / Ahmad, Shahzada et al. | 2016
- 27158
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Electronic and optical properties of MAPbX3 perovskites (X = I, Br, Cl): a unified DFT and GW theoretical analysisElectronic supplementary information (ESI) available: SOC-GGA band structure for X = I, Br and Cl. See DOI: 10.1039/c6cp03969cMosconi, Edoardo et al. | 2016
- 27158
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Electronic and optical properties of MAPbX3 perovskites (X = I, Br, Cl): a unified DFT and GW theoretical analysisMosconi, Edoardo / Umari, Paolo / De Angelis, Filippo et al. | 2016
- 27165
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Multivalent bonds in self-assembled bundles of ultrathin gold nanowiresElectronic supplementary information (ESI) available: Experimental details. TEM images of AuNWs synthesized in different solvents. See DOI: 10.1039/c6cp05181bReiser, B et al. | 2016
- 27165
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Multivalent bonds in self-assembled bundles of ultrathin gold nanowiresReiser, B. / Gerstner, D. / Gonzalez-Garcia, L. / Maurer, J. H. M. / Kanelidis, I. / Kraus, T. et al. | 2016
- 27170
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A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamicsRankine, C. D. / Nunes, J. P. F. / Robinson, M. S. / Lane, P. D. / Wann, D. A. et al. | 2016
- 27175
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Adsorption dynamics and rate assessment of volatile organic compounds in active carbonElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05593aZhu, J et al. | 2016
- 27175
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Adsorption dynamics and rate assessment of volatile organic compounds in active carbonZhu, J. / Zhan, H. L. / Miao, X. Y. / Song, Y. / Zhao, K. et al. | 2016
- 27179
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An approach to the electronic structure of molecular junctions with metal clusters of atomic thicknessElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05403jAranda, Daniel et al. | 2016
- 27179
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An approach to the electronic structure of molecular junctions with metal clusters of atomic thicknessAranda, Daniel / López-Tocón, Isabel / Soto, Juan / Otero, Juan C. / Avila, Francisco et al. | 2016
- 27185
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Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approachPedraza-González, Laura / Romero, Jonathan / Alí-Torres, Jorge / Reyes, André et al. | 2016
- 27185
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Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approachElectronic supplementary information (ESI) available: Structural formula, experimental (PAexp) and calculated (PAPP2) gas phase proton affinity, absolute error (ΔPAexpPP2) and RMSD for the 150 organic molecules (Tables S1-S8). Mean absolute error (|Δ|), mean absolute deviation (MAD) and maximum absolute deviation (ADmax) sorted by functional group (Table S9). Adiabatic proton affinity calculated for the set of primary amines and molecules with absolute errors greater than ±2 kcal mol−1 (Table S10). See DOI: 10.1039/c6cp05128fPedraza-González, Laura et al. | 2016
- 27205
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Gd(iii) and Mn(ii) complexes for dynamic nuclear polarization: small molecular chelate polarizing agents and applications with site-directed spin labeling of proteinsKaushik, Monu / Bahrenberg, Thorsten / Can, Thach V. / Caporini, Marc A. / Silvers, Robert / Heiliger, Jörg / Smith, Albert A. / Schwalbe, Harald / Griffin, Robert G. / Corzilius, Björn et al. | 2016
- 27219
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Pyrite surface environment drives molecular adsorption: cystine on pyrite(100) investigated by X-ray photoemission spectroscopy and low energy electron diffractionSanchez-Arenillas, M. / Mateo-Marti, E. et al. | 2016
- 27226
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Na-ion diffusion in a NASICON-type solid electrolyte: a density functional studyBui, Kieu My / Dinh, Van An / Okada, Susumu / Ohno, Takahisa et al. | 2016
- 27232
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Stress–strain behavior of block-copolymers and their nanocomposites filled with uniform or Janus nanoparticles under shear: a molecular dynamics simulationWang, Lu / Liu, Hongji / Li, Fanzhu / Shen, Jianxiang / Zheng, Zijian / Gao, Yangyang / Liu, Jun / Wu, Youping / Zhang, Liqun et al. | 2016
- 27232
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Stress-strain behavior of block-copolymers and their nanocomposites filled with uniform or Janus nanoparticles under shear: a molecular dynamics simulationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05853aWang, Lu et al. | 2016
- 27245
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Concerted nitrogen inversion and hydrogen bonding to Glu451 are responsible for protein-controlled suppression of the reverse reaction in human DPP IIITomić, A. / Kovačević, B. / Tomić, S. et al. | 2016
- 27245
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Concerted nitrogen inversion and hydrogen bonding to Glu451 are responsible for protein-controlled suppression of the reverse reaction in human DPP IIIElectronic supplementary information (ESI) available: QM and QM/MM calculations of the systems with neutral His568, and QM/MM calculations of the system obtained directly from MD simulations. See DOI: 10.1039/c6cp04580dTomi, A et al. | 2016
- 27257
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Facile solvothermal synthesis of a high-efficiency CNNs/Ag/AgCl plasmonic photocatalystWang, Youliang / Xia, Mingzhu / Li, Kebin / Shen, Xinlin / Muhanmood, Tahir / Wang, Fengyun et al. | 2016
- 27265
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Subtle solvation behaviour of a biofuel additive: the methanol complex with 2,5-dimethylfuranElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05413gPoblotzki, Anja et al. | 2016
- 27265
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Subtle solvation behaviour of a biofuel additive: the methanol complex with 2,5-dimethylfuranPoblotzki, Anja / Altnöder, Jona / Suhm, Martin A. et al. | 2016
- 27272
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Insight into the mechanism about the initiation, growth and termination of the C-C chain in syngas conversion on the Co(0001) surface: a theoretical studyElectronic supplementary information (ESI) available: Descriptions of standard molar Gibbs free energy (Part 1), H2 adsorption and dissociation, and species on the Co(0001) surface (Part 2), adsorptions of all possible species (Part 3), CHx (x = 1-3) and CH3OH formation from syngas (Part 4), the reactions related to CH2 and CH3 species (Part 5), the reactions related to CHxCHO (x = 1-3) (Part 6), as well as the structures of ISs, TSs and FSs for the chain growth reactions starting from CH3CHCHO (Part 7) have been presented in detail. See DOI: 10.1039/c6cp05139aWen, Guangxiang et al. | 2016
- 27272
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Insight into the mechanism about the initiation, growth and termination of the C–C chain in syngas conversion on the Co(0001) surface: a theoretical studyWen, Guangxiang / Wang, Qiang / Zhang, Riguang / Li, Debao / Wang, Baojun et al. | 2016
- 27284
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Hydrogenated borophene as a stable two-dimensional Dirac material with an ultrahigh Fermi velocityXu, Li-Chun / Du, Aijun / Kou, Liangzhi et al. | 2016
- 27290
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Orientation and stability of a bi-functional aromatic organic molecular adsorbate on siliconO'Donnell, K. M. / Hedgeland, H. / Moore, G. / Suleman, A. / Siegl, M. / Thomsen, L. / Warschkow, O. / Schofield, S. R. et al. | 2016
- 27300
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Reactivity of electrophilic chlorine atoms due to σ-holes: a mechanistic assessment of the chemical reduction of a trichloromethyl group by sulfur nucleophilesCaballero-García, Guillermo / Romero-Ortega, Moisé / Barroso-Flores, Joaquín et al. | 2016
- 27308
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Effects of chemical substitutions on the properties of azacalixphyrins: a first-principles studyMarchand, Gabriel / Siri, Olivier / Jacquemin, Deni et al. | 2016
- 27317
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Spectroscopic investigations of high-energy-density plasma transformations in a simulated early reducing atmosphere containing methane, nitrogen and waterCiviš, Martin / Ferus, Martin / Knížek, Antonín / Kubelík, Petr / Kamas, Michal / Španěl, Patrik / Dryahina, Ksenia / Shestivska, Violetta / Juha, Libor / Skřehot, Petr et al. | 2016
- 27326
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The explicit examination of the magnetic states of electridesDale, Stephen G. / Johnson, Erin R. et al. | 2016
- 27326
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The explicit examination of the magnetic states of electridesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05345aDale, Stephen G et al. | 2016
- 27336
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Mass resolved IR spectroscopy of aniline–water aggregatesLeón, I. / Arnáiz, P. F. / Usabiaga, I. / Fernández, J. A. et al. | 2016
- 27336
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Mass resolved IR spectroscopy of aniline-water aggregatesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04373aLeón, I et al. | 2016
- 27342
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Magnetomigration of rare-earth ions in inhomogeneous magnetic fieldsFranczak, Agnieszka / Binnemans, Koen / Jan Fransaer, et al. | 2016
- 27351
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Classification of hydrogen bond flips in small water polyhedra applied to concerted proton tunnelingKirov, M. V. et al. | 2016
- 27358
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Domain-dependent electronic structure and optical absorption property in hybrid organic–inorganic perovskiteMeng, Xiang / Zhang, Ruifeng / Fu, Zhongheng / Zhang, Qianfan et al. | 2016
- 27358
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Domain-dependent electronic structure and optical absorption property in hybrid organic-inorganic perovskiteElectronic supplementary information (ESI) available: (1) Lattice constant parameters for different domains of CH3NH3PbI3. (2) Various kinds of cation studied. (3) Band structures for different domains of CF3NH3PbI3. (4) Band structures for different domains of CH3SH2PbI3. (5) Activation barrier between the FM domain and the AFM domain in CF3NH3PbI3. (6) Lattice constants of various kinds of MAPbI3 with different MA cations. See DOI: 10.1039/c6cp03377fMeng, Xiang et al. | 2016
- 27366
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Molecular dynamics simulation of O2 adsorption on Ag(110) from first principles electronic structure calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05199eLon ari, Ivor et al. | 2016
- 27366
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Molecular dynamics simulation of O2 adsorption on Ag(110) from first principles electronic structure calculationsLončarić, Ivor / Alducin, M. / Juaristi, J. I. et al. | 2016
- 27377
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The computational prediction of Raman and ROA spectra of charged histidine tautomers in aqueous solutionCardamone, Salvatore / Caine, Beth A. / Blanch, Ewan / Lizio, Maria G. / Popelier, Paul L. A. et al. | 2016
- 27390
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Understanding molecular self-assembly of a diol compound by considering competitive interactionsArado, Oscar Díaz / Luft, Maike / Mönig, Harry / Held, Philipp Alexander / Studer, Armido / Amirjalayer, Saeed / Fuchs, Harald et al. | 2016
- 27396
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Modeling blue to UV upconversion in β-NaYF4:Tm3+Villanueva-Delgado, Pedro / Krämer, Karl W. / Valiente, Rafael / de Jong, Mathij / Meijerink, Andrie et al. | 2016
- 27396
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Modeling blue to UV upconversion in b-NaYF4:Tm3+Villanueva-Delgado, P. / Kramer, K. / Valiente, R. / deJong, M. / Meijerink, A. et al. | 2016
- 27414
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Photoinduced hole transfer in QD–phthalocyanine hybridsArvani, M. / Virkki, K. / Abou-Chahine, F. / Efimov, A. / Schramm, A. / Tkachenko, N. V. / Lupo, D. et al. | 2016
- 27414
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Photoinduced hole transfer in QD-phthalocyanine hybridsElectronic supplementary information (ESI) available: Procedures of the synthesis of phthalocyanine, DPV measurements, absorption and emission spectra, dependence of the Pc absorbance ratio at 720 and 635 nm on the relative concentration of Pc, emission decays and emission lifetime quenching, transient absorption measurements of QDs and QD-Pc hybrids not shown in the main text. See DOI: 10.1039/c6cp04374gArvani, M et al. | 2016
- 27422
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The divide-and-conquer second-order proton propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation of proton binding energiesTsukamoto, Yusuke / Ikabata, Yasuhiro / Romero, Jonathan / Reyes, André / Nakai, Hiromi et al. | 2016
- 27422
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The divide-and-conquer second-order proton propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation of proton binding energiesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03786kTsukamoto, Yusuke et al. | 2016
- 27432
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Bilayered graphene as a platform of nanostructures with folded edge holesChernozatonskii, L. A. / Demin, V. A. / Lambin, Ph. et al. | 2016
- 27442
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Hydrogen bonding and delocalization in the ELF analysis approachSilvi, Bernard / Ratajczak, Henryk et al. | 2016
- 27450
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Quantum molecular motion in the mixed ion-radical complex, [(H2O)(H2S)]+Floris, S. D. / Talbot, J. J. / Wilkinson, M. J. / Herr, J. D. / Steele, R. P. et al. | 2016
- 27460
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QM/MM calculations on a newly synthesised oxyluciferin substrate: new insights into the conformational effectBerraud-Pache, Romain / Navizet, Isabelle et al. | 2016
- 27468
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Multifunctional heterostructures constructed using MoS2 and WS2 nanoribbonsZhou, Yi / Dong, Jichen / Li, Hui et al. | 2016
- 27476
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Solvent effects on de-excitation channels in the p-coumaric acid methyl ester anion, an analogue of the photoactive yellow protein (PYP) chromophoreGarcía-Prieto, Francisco F. / Muñoz-Losa, Aurora / Luz Sánchez, M. / Elena Martín, M. / Aguilar, Manuel A. et al. | 2016
- 27476
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Solvent effects on de-excitation channels in the p-coumaric acid methyl ester anion, an analogue of the photoactive yellow protein (PYP) chromophoreElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03541hGarcía-Prieto, Francisco F et al. | 2016
- 27486
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In situ Raman investigation of electrolyte solutions in the vicinity of graphite negative electrodesSong, Hee-Youb / Fukutsuka, Tomokazu / Miyazaki, Kohei / Abe, Takeshi et al. | 2016
- 27493
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Morphological modulation of graphene-mediated hybridization in plasmonic systemsHaghighian, Niloofar / Bisio, Francesco / Miseikis, Vaidota / Messina, Gabriele C. / De Angelis, Francesco / Coletti, Camilla / Morgante, Alberto / Canepa, Maurizio et al. | 2016
- 27493
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Morphological modulation of graphene-mediated hybridization in plasmonic systemsElectronic supplementary information (ESI) available: Excitation-polarization-dependent Raman spectra of single-layer graphene. Digital treatment of SEM images for morphological analysis. See DOI: 10.1039/c6cp05107cHaghighian, Niloofar et al. | 2016
- 27507
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The influence of solution environment on the nucleation kinetics and crystallisability of para-aminobenzoic acidTurner, T. D. / Corzo, D. M. C. / Toroz, D. / Curtis, A. / Dos Santos, M. M. / Hammond, R. B. / Lai, X. / Roberts, K. J. et al. | 2016
- 27521
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Adsorption of single 1,8-octanedithiol molecules on Cu(100)Villagómez, Carlos J. / Castanié, Fabien / Momblona, Cristina / Gauthier, Sébastien / Zambelli, Tomaso / Bouju, Xavier et al. | 2016
- 27529
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Observation of isolated ionic liquid cations and water molecules in an inert solventSung, Woongmo / Kim, Doseok et al. | 2016
- 27536
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NaGdF4:Dy3+ nanofibers and nanobelts: facile construction technique, structure and bifunctionality of luminescence and enhanced paramagnetic performancesLi, Dan / Ma, Qianli / Song, Yan / Xi, Xue / Dong, Xiangting / Yu, Wensheng / Wang, Jinxian / Liu, Guixia et al. | 2016
- 27545
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Metal borohydride formation from aluminium boride and metal hydridesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05391bMøller, Kasper T et al. | 2016
- 27545
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Metal borohydride formation from aluminium boride and metal hydridesMøller, Kasper T. / Fogh, Alexander S. / Paskevicius, Mark / Skibsted, Jørgen / Jensen, Torben R. et al. | 2016
- 27554
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Application of the dielectric-dependent screened exchange potential approach to organic photocell materialsShimazaki, Tomomi / Nakajima, Takahito et al. | 2016
- 27564
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Effective medium theory for the conductivity of disordered metallic nanowire networksO'Callaghan, Colin / Gomes da Rocha, Claudia / Manning, Hugh G. / Boland, John J. / Ferreira, Mauro S. et al. | 2016
- 27572
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Improvement in surface-enhanced Raman spectroscopy from cubic SiC semiconductor nanowhiskers by adjustment of energy levelsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05346gLiu, Wenna et al. | 2016
- 27572
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Improvement in surface-enhanced Raman spectroscopy from cubic SiC semiconductor nanowhiskers by adjustment of energy levelsLiu, Wenna / Yang, Tao / Chen, Junhong / Chen, Yingzhi / Hou, Xinmei / Han, Xuemei / Chou, Kuo-Chih et al. | 2016
- 27577
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The underlying mechanisms for self-healing of poly(disulfide)sNevejans, Sil / Ballard, Nichola / Miranda, José I. / Reck, Bernd / Asua, José M. et al. | 2016
- 27584
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Solubility of starch and microcrystalline cellulose in 1-ethyl-3-methylimidazolium acetate ionic liquid and solution rheological propertiesTan, Xiaoyan / Li, Xiaoxi / Chen, Ling / Xie, Fengwei et al. | 2016
- 27594
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An attempt to correlate surface physics with chemical properties: molecular beam and Kelvin probe investigations of Ce1−xZrxO2 thin filmsKolekar, Sadhu K. / Dubey, Anjani / Date, Kalyani S. / Datar, Suwarna / Gopinath, Chinnakonda S. et al. | 2016
- 27603
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Highly luminescent and stable lyotropic liquid crystals based on a europium β-diketonate complex bridged by an ethylammonium cationYi, Sijing / Yao, Meihuan / Wang, Jiao / Chen, Xiao et al. | 2016
- 27603
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Highly luminescent and stable lyotropic liquid crystals based on a europium b-diketonate complex bridged by an ethylammonium cationYi, S. / Yao, M. / Wang, J. / Chen, X. et al. | 2016
- 27613
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Temperature- and pressure-dependent studies of niccolite-type formate frameworks of [NH3(CH2)4NH3][M2(HCOO)6] (M = Zn, Co, Fe)Mączka, Mirosław / Ptak, Maciej / Pawlus, Sebastian / Paraguassu, Waldeci / Sieradzki, Adam / Balciunas, Sergeju / Simenas, Manta / Banys, Jura et al. | 2016
- 27613
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Temperature- and pressure-dependent studies of niccolite-type formate frameworks of [NH3(CH2)4NH3][M2(HCOO)6] (M = Zn, Co, Fe)Electronic supplementary information (ESI) available: Tables S1-S4: IR and Raman wavenumbers for the studied compounds together with the proposed assignment, the correlation diagram showing the correspondence between the optical modes of HCOO− in the P3&cmb.macr;1c and R3&cmb.macr;c structures of bnZn or bnCo as well as the P3&cmb.macr;1c and Cc structures of bnMn, and wavenumber intercepts at zero pressure and pressure coefficients for ambient and high-pressure phases of bnZn. Fig. S1-S20: electric field dependence of the electric polarization of bnZn, temperature-dependent traces of the complex dielectric permittivity of bnZn, frequency dependence of the complex dielectric permittivity for bnZn, Raman and IR spectra at different temperatures for the studied compounds, Raman spectra of bnZn recorded during the decompression experiment. See DOI: 10.1039/c6cp05834eM czka, Miros aw et al. | 2016
- 27623
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Enhanced hydrogen desorption properties of LiAlH4 by doping lithium metatitanateZhang, Tengfei / Isobe, Shigehito / Wang, Yongming / Liu, Chaomei / Hashimoto, Naoyuki / Takahashi, Keisuke et al. | 2016
- 27639
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Fast and slow dynamics and the local structure of liquid and supercooled water next to a hydrophobic amino acidMartiniano, H. F. M. C. / Galamba, N. et al. | 2016
- 27639
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Fast and slow dynamics and the local structure of liquid and supercooled water next to a hydrophobic amino acidElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04532dMartiniano, H. F. M. C et al. | 2016
- 27648
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Hydration structure of trimethylamine N-oxide in aqueous solutions revealed by soft X-ray emission spectroscopy and chemometric analysisSasaki, Yuu / Horikawa, Yuka / Tokushima, Takashi / Okada, Kazumasa / Oura, Masaki / Aida, Misako et al. | 2016
- 27654
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On describing the optoelectronic characteristics of poly(benzodithiophene-co-quinoxaline)–fullerene complexes: the influence of optimally tuned density functionalsKastinen, T. / Niskanen, M. / Risko, C. / Cramariuc, O. / Hukka, T. I. et al. | 2016
- 27671
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Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push–pull chromophoresLifshits, Liubov M. / Budkina, Darya S. / Singh, Varun / Matveev, Sergey M. / Tarnovsky, Alexander N. / Klosterman, Jeremy K. et al. | 2016
- 27671
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Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophoresElectronic supplementary information (ESI) available: Synthetic details, characterization, and analyses. CCDC 1061880 and 1489317. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6cp04619cLifshits, Liubov M et al. | 2016
- 27684
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Viscometry of single nanoliter-volume droplets using dynamic force spectroscopyLee, Manhee / Kim, Bongsu / Kim, QHwan / Hwang, JongGeun / An, Sangmin / Jhe, Wonho et al. | 2016
- 27691
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Inside back cover| 2016
- 27692
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Back cover| 2016
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Magnetomigration of rare-earth ions in inhomogeneous magnetic fieldsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02575gFranczak, Agnieszka et al. | 2016
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The influence of solution environment on the nucleation kinetics and crystallisability of para-aminobenzoic acidElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04320hTurner, T. D et al. | 2016
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An attempt to correlate surface physics with chemical properties: molecular beam and Kelvin probe investigations of Ce1−xZrxO2 thin filmsElectronic supplementary information (ESI) available: Materials preparation (S1), KPM principle (S2), surface roughness profiles (S3), oxygen uptake results obtained from molecular beam experiments (S4), and table for surface measurements (S5). See DOI: 10.1039/c6cp04700aKolekar, Sadhu K et al. | 2016
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On describing the optoelectronic characteristics of poly(benzodithiophene-co-quinoxaline)-fullerene complexes: the influence of optimally tuned density functionalsElectronic supplementary information (ESI) available: Details concerning the optoelectronic properties of D-A copolymer models and fullerene derivatives: PES scan of the monomer, total and relative energies of the copolymer models, bond numbers and bond length differences of copolymer models, DFT and TDDFT results of O3-anti and fullerene derivatives at their B3LYP-optimized geometries, and the UV-vis spectra of O3-anti in solution. Additionally, more details concerning the structures of the O3p-PC71BM models and their results, i.e. potential energy scans, interaction energies, excited state properties, UV-vis spectra, and NTOs, are provided. See DOI: 10.1039/c6cp04567gKastinen, T et al. | 2016
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Viscometry of single nanoliter-volume droplets using dynamic force spectroscopyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05896eLee, Manhee et al. | 2016
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Modeling blue to UV upconversion in β-NaYF4:Tm3+Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04347jVillanueva-Delgado, Pedro et al. | 2016