Hydrogen assisted synthesis of branched nickel nanostructures: a combined theoretical and experimental studyElectronic supplementary information (ESI) available: Descriptions on chemical potential calculation method of atomic H; as well as Tables S1S5 and Fig. S1-S9. See DOI: 10.1039/c7cp04673a (English)
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In:
Physical chemistry, chemical physics
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19
, 39
; 26718-26727
;
2017
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ISSN:
- Article (Journal) / Print
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Title:Hydrogen assisted synthesis of branched nickel nanostructures: a combined theoretical and experimental studyElectronic supplementary information (ESI) available: Descriptions on chemical potential calculation method of atomic H; as well as Tables S1S5 and Fig. S1-S9. See DOI: 10.1039/c7cp04673a
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Contributors:
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Published in:Physical chemistry, chemical physics ; 19, 39 ; 26718-26727
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Publisher:
- New search for: The Royal Soc. of Chemistry
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Place of publication:Cambridge
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Publication date:2017
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ZDBID:
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DOI:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
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Keywords:
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Source:
Table of contents – Volume 19, 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.
- 277
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Transmutation effects on long-term Cs retention in phyllosilicate minerals from first principlesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04496hSassi, Michel et al. | 2017
- 279
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DFT study of the structure, chemical ordering and molecular adsorption of Pd-Ir nanoalloysElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04811dFan, Tian-E et al. | 2017
- 2654
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Diffusion of single dye molecules in hydrated TiO2 mesoporous filmsElectronic supplementary information (ESI) available: Experimental details of MOTF synthesis and characterization techniques: transmission electron microscopy, 2D small-angle X-ray scattering, FTIR spectroscopy, environmental ellipsometric porosimetry and X-ray diffraction. See DOI: 10.1039/c7cp05186gAngiolini, Juan F et al. | 2017
- 26507
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Long-lived luminescence of silicon nanocrystals: from principles to applicationsMazzaro, Raffaello / Romano, Francesco / Ceroni, Paola et al. | 2017
- 2663
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A mechanistic study of the Knoevenagel condensation reaction: new insights into the influence of acid and base properties of mixed metal oxide catalysts on the catalytic activityElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04743fLi, Jerry P. H et al. | 2017
- 2678
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Perovskites beyond photovoltaics: field emission from morphology-tailored nanostructured methylammonium lead triiodideElectronic supplementary information (ESI) available: UV-vis spectra, FTIR spectra, elemental mappings, and energy dispersive analysis of X-ray of CH3NH3PbI3 nanorods and nanocrystals, FESEM images of nanorod samples before and after FE measurement and FE characteristics at higher inter-electrode distances are provided. See DOI: 10.1039/c7cp04038eBesra, Nripen et al. | 2017
- 2687
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Quercetin and its analogues: optical and acido-basic propertiesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03845cBiler, Michal et al. | 2017
- 2688
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Relativistic effects at the Cu2O2 core - a density functional theory studyElectronic supplementary information (ESI) available: Cartesian coordinates of C1, C2 and C3 for the O and P core, diagonal matrix elements of the relativistic non-relativistic overlap difference dSi,j for C1, C2 and C3, charge density difference plots for relevant MOs for all complexes, total overlap population for Cu and O and N-ligand fragments for all complexes. See DOI: 10.1039/c7cp04686cWitte, Matthias et al. | 2017
- 26890
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Electronic structure and charge transport properties of atomic carbon wiresLambropoulos, K. / Simserides, C. et al. | 2017
- 26906
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SO3 formation from the X-ray photolysis of SO2 astrophysical ice analogues: FTIR spectroscopy and thermodynamic investigationsde Souza Bonfim, Víctor / Barbosa de Castilho, Roberto / Baptista, Leonardo / Pilling, Sergio et al. | 2017
- 26980
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Towards a complete characterization of the δ-dispersion in dielectric spectroscopy of protein–water systemsBraun, Daniel / Schmollngruber, Michael / Steinhauser, Othmar et al. | 2017
- 27015
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Interplay between superparamagnetic and blocked behavior in an ensemble of lanthanum–strontium manganite nanoparticlesKalita, V. M. / Polishchuk, D. M. / Kovalchuk, D. G. / Bodnaruk, A. V. / Solopan, S. O. / Tovstolytkin, A. I. / Ryabchenko, S. M. / Belous, A. G. et al. | 2017
- 2715
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On the microscopic origin of the temperature evolution of isosteric heat for methane adsorption on graphiteElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04497fLiu, Lumeng et al. | 2017
- 2731
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Theoretical study of the effect of different n-doping elements on band structure and optical gain of GeSn alloysElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05840cHuang, Wenqi et al. | 2017
- 2738
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Self-assembly of diphenylalanine with preclick components as capping groupsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03792aGemma, Andrea et al. | 2017
- 27052
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A study on the electronic and interfacial structures of monolayer ReS2–metal contactsWang, Jin / Yang, Guofeng / Sun, Rui / Yan, Pengfei / Lu, Yanan / Xue, Junjun / Chen, Guoqing et al. | 2017
- 27059
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Self-assembled bundled TiO2 nanowire arrays encapsulated with indium tin oxide for broadband absorption in plasmonic photocatalysisHuang, Hao / Hao, Qi / Fan, Xingce / Luo, Zhengwei / Hou, Xiangyu / Yang, Xiaozhi / Qiu, Teng / Chu, Paul K. et al. | 2017
- 2765
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Combined use of EPR and 23Na MAS NMR spectroscopy for assessing the properties of the mixed cobalt-nickel-manganese layers of P3-NayCo1−2xNixMnxO2Electronic supplementary information (ESI) available: XRD spectra of Na2/3Co1/3Ni1/3Mn1/3O2 and Na1/2Ni1/2Mn1/2O2. See DOI: 10.1039/c7cp04849aKalapsazova, M et al. | 2017
- 2781
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Textured ZnO films from evaporation-triggered aggregation of nanocrystal dispersions and their use in solar cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05026gYan, Junfeng et al. | 2017
- 26445
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Front cover| 2017
- 26446
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Inside front cover| 2017
- 26447
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Contents list| 2017
- 26466
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Catalytic CVD synthesis of boron nitride and carbon nanomaterials – synergies between experiment and theoryMcLean, Ben / Eveleens, Clothilde A. / Mitchell, Izaac / Webber, Grant B. / Page, Alister J. et al. | 2017
- 26495
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Recent research progress in non-aqueous potassium-ion batteriesZou, Xiaoxi / Xiong, Peixun / Zhao, Jin / Hu, Jimin / Liu, Zhitian / Xu, Yunhua et al. | 2017
- 26527
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Isotope effects on the resonance interactions and vibrational quantum dynamics of fluoroform 12,13CHF3Electronic supplementary information (ESI) available: Linelists of transitions assigned are included. See DOI: 10.1039/c7cp04762bAlbert, Sieghard et al. | 2017
- 26527
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Isotope effects on the resonance interactions and vibrational quantum dynamics of fluoroform 12,13CHF3Albert, Sieghard / Bekhtereva, Elena / Bolotova, Irina / Chen, Ziqiu / Fábri, Csaba / Hollenstein, Han / Quack, Martin / Ulenikov, Oleg et al. | 2017
- 26535
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Light induced oxidation of an indoline derived system triggered spherical aggregatesMrinalini, Madoori / Vamsi Krishna, Narra / Krishna, Jonnadula V. S. / Prasanthkumar, Seelam / Giribabu, Lingamallu et al. | 2017
- 26535
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Light induced oxidation of an indoline derived system triggered spherical aggregatesElectronic supplementary information (ESI) available: Synthesis, characterization, UV-vis absorption, emission and microscopic images. See DOI: 10.1039/c7cp04988aMrinalini, Madoori et al. | 2017
- 26540
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Diffusion of single dye molecules in hydrated TiO2 mesoporous filmsAngiolini, Juan F. / Stortz, Martín / Steinberg, Paula Y. / Mocskos, Esteban / Bruno, Luciana / Soler-Illia, Galo / Angelomé, Paula C. / Wolosiuk, Alejandro / Levi, Valeria et al. | 2017
- 26545
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Study of the interaction between cisplatin and the Au18(SR)14 cluster: in search of an appropriate cisplatin carrierPalacios-Álvarez, O. / Tlahuice-Flores, A. et al. | 2017
- 26551
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Surface pKa of octanoic, nonanoic, and decanoic fatty acids at the air-water interface: applications to atmospheric aerosol chemistryElectronic supplementary information (ESI) available: This material includes (1, 2) adsorption isotherms of nonanoic acid at pH 2 and pH 12, (3) weak acid-strong base bulk titration of 1 mM nonanoic acid, (4) derivation of the surface activity model bounds, (5) IRRAS spectra comparing the CH stretching modes of a stearic acid Langmuir monolayer to a 1 mM nonanoic acid Gibbs monolayer, (6) surface tension titration of acetic acid as a control study. See DOI: 10.1039/c7cp04527aWellen, Bethany A et al. | 2017
- 26551
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Surface pKa of octanoic, nonanoic, and decanoic fatty acids at the air–water interface: applications to atmospheric aerosol chemistryWellen, Bethany A. / Lach, Evan A. / Allen, Heather C. et al. | 2017
- 26559
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A global method for handling fluorescence spectra at high concentration derived from the competition between emission and absorption of colloidal CdTe quantum dotsNoblet, Thoma / Dreesen, Laurent / Hottechamps, Julie / Humbert, Christophe et al. | 2017
- 26559
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A global method for handling fluorescence spectra at high concentration derived from the competition between emission and absorption of colloidal CdTe quantum dotsElectronic supplementary information (ESI) available: Details of HR-TEM images and analysis, additional UV-vis and fluorescence spectra, calculations of concentrations and densities and full description of the method for handling fluorescence spectra in right angle, front-face and collinear configurations. See DOI: 10.1039/c7cp03484aNoblet, Thomas et al. | 2017
- 26566
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An efficient algorithm for extracting the magnitude of the measurement error for fractional dynamicsSikora, G. / Kepten, E. / Weron, A. / Balcerek, M. / Burnecki, K. et al. | 2017
- 26582
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Vibrational spectra and physico-chemical properties of astrophysical analogsGómez, Pedro C. / Escribano, Rafael et al. | 2017
- 26582
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Vibrational spectra and physico-chemical properties of astrophysical analogsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04695bGmez, Pedro C et al. | 2017
- 26589
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Dynamics of π-resonances in anionic clusters of para-toluquinoneElectronic supplementary information (ESI) available: Photodetachment yield spectra for pTQ− and (pTQ)3−; global fit results for pTQ−; summary of photodetachment angular distributions for pTQ−; all frequency-resolved photoelectron spectra for pTQ− and (pTQ)3−. See DOI: 10.1039/c7cp03628kBull, James N et al. | 2017
- 26589
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Dynamics of p*-resonances in anionic clusters of para-toluquinoneBull, J. / Verlet, J. R. et al. | 2017
- 26589
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Dynamics of π*-resonances in anionic clusters of para-toluquinoneBull, James N. / Verlet, Jan R. R. et al. | 2017
- 26596
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On the interfacial charge transfer between solid and liquid Li+ electrolytesSchleutker, Marco / Bahner, Jochen / Tsai, Chih-Long / Stolten, Detlef / Korte, Carsten et al. | 2017
- 26606
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Ordering and phase separation in Gd-doped ceria: a combined DFT, cluster expansion and Monte Carlo studyŽguns, Pjotrs A. / Ruban, Andrei V. / Skorodumova, Natalia V. et al. | 2017
- 26621
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Dynamics of excited state proton transfer in nitro substituted 10-hydroxybenzo[h]quinolinesMarciniak, H. / Hristova, S. / Deneva, V. / Kamounah, F. S. / Hansen, P. E. / Lochbrunner, S. / Antonov, L. et al. | 2017
- 26621
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Dynamics of excited state proton transfer in nitro substituted 10-hydroxybenzo[h]quinolinesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04476cMarciniak, H et al. | 2017
- 26630
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A mechanistic study of the Knoevenagel condensation reaction: new insights into the influence of acid and base properties of mixed metal oxide catalysts on the catalytic activityLi, Jerry P. H. / Adesina, Adesoji A. / Kennedy, Eric M. / Stockenhuber, Michael et al. | 2017
- 26645
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Room-temperature NaI/H2O compression icing: solute–solute interactionsZeng, Qingxin / Yao, Chuang / Wang, Kai / Sun, Chang Q. / Zou, Bo et al. | 2017
- 26651
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Surface induced smectic order in ionic liquids - an X-ray reflectivity study of [C22C1im]+[NTf2]−Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04852aMars, Julian et al. | 2017
- 26651
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Surface induced smectic order in ionic liquids – an X-ray reflectivity study of [C22C1im]+[NTf2]−Mars, Julian / Hou, Binyang / Weiss, Henning / Li, Hailong / Konovalov, Oleg / Festersen, Sven / Murphy, Bridget M. / Rütt, Uta / Bier, Marku / Mezger, Marku et al. | 2017
- 26662
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A combined NMR and DFT study of conformational dynamics in lanthanide complexes of macrocyclic DOTA-like ligandsBlahut, Jan / Hermann, Petr / Tošner, Zdeněk / Platas-Iglesias, Carlo et al. | 2017
- 26662
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A combined NMR and DFT study of conformational dynamics in lanthanide complexes of macrocyclic DOTA-like ligandsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05296kBlahut, Jan et al. | 2017
- 26672
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The electronic structure of Ag1−xSn1+xSe2 (x = 0.0, 0.1, 0.2, 0.25 and 1.0)Wakita, Takanori / Paris, Eugenio / Kobayashi, Kaya / Terashima, Kensei / Hacisaliho&gcaron;lu, Muammer Yasin / Ueno, Teppei / Bondino, Federica / Magnano, Elena / Píš, Igor / Olivi, Luca et al. | 2017
- 26679
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Molecular attochemistry in non-polar liquid environments: ultrafast charge migration dynamics through gold–thiolate and gold–selenolate linkagesBag, Sampad / Chandra, Sankhabrata / Bhattacharya, Atanu et al. | 2017
- 26697
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Cisplatin and transplatin interaction with methionine: bonding motifs assayed by vibrational spectroscopy in the isolated ionic complexesPaciotti, Roberto / Corinti, Davide / De Petris, Alberto / Ciavardini, Alessandra / Piccirillo, Susanna / Coletti, Cecilia / Re, Nazzareno / Maitre, Philippe / Bellina, Bruno / Barran, Perdita et al. | 2017
- 26708
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Perovskites beyond photovoltaics: field emission from morphology-tailored nanostructured methylammonium lead triiodideBesra, Nripen / Pal, Shreyasi / Das, Bikram Kumar / Chattopadhyay, Kalyan Kumar et al. | 2017
- 26718
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Hydrogen assisted synthesis of branched nickel nanostructures: a combined theoretical and experimental studyLiang, Xin / Liu, Ning / Qiu, Huiyun / Zhang, Cong / Mei, Donghai / Chen, Biaohua et al. | 2017
- 26718
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Hydrogen assisted synthesis of branched nickel nanostructures: a combined theoretical and experimental studyElectronic supplementary information (ESI) available: Descriptions on chemical potential calculation method of atomic H; as well as Tables S1S5 and Fig. S1-S9. See DOI: 10.1039/c7cp04673aLiang, Xin et al. | 2017
- 26728
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3D electrochemical and ion current imaging using scanning electrochemical–scanning ion conductance microscopyTakahashi, Yasufumi / Ida, Hiroki / Matsumae, Yoshiharu / Komaki, Hirokazu / Zhou, Yuanshu / Kumatani, Akichika / Kanzaki, Makoto / Shiku, Hitoshi / Matsue, Tomokazu et al. | 2017
- 26728
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3D electrochemical and ion current imaging using scanning electrochemical-scanning ion conductance microscopyElectronic supplementary information (ESI) available: Simulation details and full XZ and XY sequential faradic and ion current images on an adipocyte. See DOI: 10.1039/c7cp05157cTakahashi, Yasufumi et al. | 2017
- 26734
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Hydrotropy and scattering: pre-ouzo as an extended near-spinodal regionShimizu, Seishi et al. | 2017
- 26743
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Magnetic two-dimensional C3N2 carbonitrides: semiconductors, metals and half-metalsMpoutas, Dimitrio / Tsetseris, Leonida et al. | 2017
- 26749
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Direct observation of the THz Kerr effect (TKE) in deionized, distilled and buffered (PBS) waterSarbak, Szymon / Sharma, Gargi / Joseph, Cecil S. / Kucia, Weronika E. / Dobek, Krzysztof / Giles, Robert H. / Dobek, Andrzej et al. | 2017
- 26758
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Correlation between the structural change and the electrical transport properties of indium nitride under high pressureElectronic supplementary information (ESI) available: Values of Eg and dEg/dP for the different candidate phases of InN and the phase transition pressures. See DOI: 10.1039/c7cp05105kZhang, Junkai et al. | 2017
- 26758
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Correlation between the structural change and the electrical transport properties of indium nitride under high pressureZhang, Junkai / Qi, Ji / Ma, Yanzhang / Hu, Tingjing / Yan, Jiejuan / Ke, Feng / Cui, Xiaoyan / Gao, Yang / Sun, Meiling / Gao, Chunxiao et al. | 2017
- 26765
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Interface and interaction of graphene layers on SiC(0001&cmb.macr;) covered with TiC(111) intercalationElectronic supplementary information (ESI) available: Detailed geometric structure parameters, valence electron density, charge density difference, partial density of state for the TiC(111)/SiC(0001&cmb.macr;) and graphene/TiC(111)/SiC(0001&cmb.macr;) systems. See DOI: 10.1039/c7cp04443gWang, Lu et al. | 2017
- 26765
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Interface and interaction of graphene layers on SiC(0001&cmb.macr;) covered with TiC(111) intercalationWang, Lu / Wang, Qiang / Huang, Jianmei / Li, Wei-qi / Chen, Guang-hui / Yang, Yanhui et al. | 2017
- 26776
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On kinetic modelling for solar redox thermochemical H2O and CO2 splitting over NiFe2O4 for H2, CO and syngas productionDimitrakis, Dimitrios A. / Syrigou, Maria / Lorentzou, Souzana / Kostoglou, Margariti / Konstandopoulos, Athanasios G. et al. | 2017
- 26787
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A theoretical study of complexes between fullerenes and concave receptors with interest in photovoltaicsElectronic supplementary information (ESI) available: Complexation energies for all complexes studied. NCI for isolated molecules and dimers. Predicted spectra of dimers and density difference maps for their four most intense transitions. Cartesian coordinates for the isolated molecules and dimers at the B97-D2/def2-TZVP level. See DOI: 10.1039/c7cp03665eCabaleiro-Lago, E. M et al. | 2017
- 26787
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A theoretical study of complexes between fullerenes and concave receptors with interest in photovoltaicsCabaleiro-Lago, E. M. / Rodríguez-Otero, J. / Carrazana-García, J. A. et al. | 2017
- 26799
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First principles studies of CO2 and O2 chemisorption on La2O3 surfacesWang, Shibin / Cong, Linna / Zhao, Chengcheng / Li, Yiting / Pang, Yaoqi / Zhao, Yonghui / Li, Shenggang / Sun, Yuhan et al. | 2017
- 26799
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First principles studies of CO2 and O2 chemisorption on La2O3 surfacesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05471hWang, Shibin et al. | 2017
- 26812
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Understanding the structure and reactivity of NiCu nanoparticles: an atomistic modelQuaino, P. / Belletti, G. / Shermukhamedov, S. A. / Glukhov, D. V. / Santos, E. / Schmickler, W. / Nazmutdinov, R. et al. | 2017
- 26821
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PEG coated vesicles from mixtures of Pluronic P123 and l-α-phosphatidylcholine: structure, rheology and curcumin encapsulationDutta, Bijaideep / Barick, K. C. / Verma, Gunjan / Aswal, V. K. / Freilich, Inbar / Danino, Dganit / Singh, B. G. / Priyadarsini, K. I. / Hassan, P. A. et al. | 2017
- 26821
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PEG coated vesicles from mixtures of Pluronic P123 and L-a-phosphatidylcholine: structure, rheology and curcumin encapsulationDutta, B. / Barick, K. C. / Verma, G. / Aswal, V. K. / Freilich, I. / Danino, D. / Singh, B. G. / Priyadarsini, K. I. / Hassan, P. A. et al. | 2017
- 26833
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Deformation of water nano-droplets on graphene under the influence of constant and alternative electric fieldsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04433jKargar, M et al. | 2017
- 26833
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Deformation of water nano-droplets on graphene under the influence of constant and alternative electric fieldsKargar, M. / Lohrasebi, A. et al. | 2017
- 26839
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Confined phase separation of aqueous-organic nanodropletsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04531jHrahsheh, Fawaz et al. | 2017
- 26839
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Confined phase separation of aqueous–organic nanodropletsHrahsheh, Fawaz / Sani Wudil, Yakubu / Wilemski, Gerald et al. | 2017
- 26846
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Awaking N-hyperfine couplings in charged yttrium nitride endohedral fullerenesZhao, Chong / Wang, Taishan / Li, Yongjian / Meng, Haibing / Nie, Mingzhe / Tian, Jianlei / Wang, Chunru et al. | 2017
- 26851
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Catalytic mechanism of phenylacetone monooxygenases for non-native linear substratesCarvalho, Alexandra T. P. / Dourado, Daniel F. A. R. / Skvortsov, Timofey / de Abreu, Miguel / Ferguson, Lyndsey J. / Quinn, Derek J. / Moody, Thomas S. / Huang, Meilan et al. | 2017
- 26851
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Catalytic mechanism of phenylacetone monooxygenases for non-native linear substratesElectronic supplementary information (ESI) available: Supplementary results, tables and figures. See DOI: 10.1039/c7cp03640jCarvalho, Alexandra T. P et al. | 2017
- 26862
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Ultrafast dynamics of hemin aggregatesNath, Arpita / Dharmadhikari, J. A. / Dharmadhikari, A. K. / Mathur, D. / Mazumdar, S. et al. | 2017
- 26862
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Ultrafast dynamics of hemin aggregatesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04858kNath, Arpita et al. | 2017
- 26870
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Quercetin and its analogues: optical and acido–basic propertiesBiler, Michal / Biedermann, David / Valentová, Kateřina / Křen, Vladimír / Kubala, Martin et al. | 2017
- 26880
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Relativistic effects at the Cu2O2 core – a density functional theory studyWitte, Matthia / Herres-Pawlis, Sonja et al. | 2017
- 26898
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Effects of TiCl4 treatment on the structural and electrochemical properties of a porous TiO2 layer in CH3NH3PbI3 perovskite solar cellsAdli, Hasyiya Karimah / Harada, Takashi / Nakanishi, Shuji / Ikeda, Shigeru et al. | 2017
- 26918
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The magnetic and adsorption properties of ZnO1−xSx nanoparticlesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03470aZhang, Huiyun et al. | 2017
- 26918
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The magnetic and adsorption properties of ZnO1−xSx nanoparticlesZhang, Huiyun / Liu, Guixian / Cao, Yanqiang / Chen, Jing / Shen, Kai / Kumar, Ashwini / Xu, Mingxiang / Li, Qi / Xu, Qingyu et al. | 2017
- 26926
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A study on an unusual SN2 mechanism in the methylation of benzyne through nickel-complexationHatakeyama, Makoto / Sakamoto, Yuki / Ogata, Koji / Sumida, Yuto / Sumida, Tomoe / Hosoya, Takamitsu / Nakamura, Shinichiro et al. | 2017
- 26926
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A study on an unusual SN2 mechanism in the methylation of benzyne through nickel-complexationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04739hHatakeyama, Makoto et al. | 2017
- 26934
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Double salt ionic liquids based on 1-ethyl-3-methylimidazolium acetate and hydroxyl-functionalized ammonium acetates: strong effects of weak interactionsPereira, Jorge F. B. / Barber, Patrick S. / Kelley, Steven P. / Berton, Paula / Rogers, Robin D. et al. | 2017
- 26934
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Double salt ionic liquids based on 1-ethyl-3-methylimidazolium acetate and hydroxyl-functionalized ammonium acetates: strong effects of weak interactionsElectronic supplementary information (ESI) available: 1H and 13C NMR chemical shift deviations. CCDC 1559355-1559357, 1569888 and 1569889. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7cp05710ePereira, Jorge F. B et al. | 2017
- 26944
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Generic tags for Mn(ii) and Gd(iii) spin labels for distance measurements in proteinsYang, Yin / Gong, Yan-Jun / Litvinov, Aleksei / Liu, Hong-Kai / Yang, Feng / Su, Xun-Cheng / Goldfarb, Daniella et al. | 2017
- 26944
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Generic tags for Mn(ii) and Gd(iii) spin labels for distance measurements in proteinsElectronic supplementary information (ESI) available: Mass-spectra of the conjugated proteins, the binding affinity of 4PSPyNPDA, the effect of the tags on the NMR chemical shifts, ED-EPR spectra, echo decay curves, primary DEER data, distance distributions with validations and L-curves, ELDOR-detected NMR and ENDOR results, calculated distance distributions, a comparison with PyEDTA distance distribution, PRE maps of ubiquitin-PyMTA with Gd(iii) and Mn(ii). See DOI: 10.1039/c7cp04311bYang, Yin et al. | 2017
- 26957
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The influence of an adsorbate and edge covalent bonds on topological zero modes in few-layer nanographenesZiatdinov, Albert M. / Skrylnik, Peter G. / Saenko, Nikita S. et al. | 2017
- 26969
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Theoretically unraveling the separation of Am(iii)/Eu(iii): insights from mixed N,O-donor ligands with variations of central heterocyclic moietiesWu, Qun-Yan / Song, Yu-Ting / Ji, Lin / Wang, Cong-Zhi / Chai, Zhi-Fang / Shi, Wei-Qun et al. | 2017
- 26969
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Theoretically unraveling the separation of Am(iii)/Eu(iii): insights from mixed N,O-donor ligands with variations of central heterocyclic moietiesElectronic supplementary information (ESI) available: The properties of ligand Lb with a cis-conformer, structures of the three protonated ligands and the Am(iii)/Eu(iii) hydrates and nitrate hydrate complexes as well as Am-complexes, NOCV of the [EuL(NO3)3] complexes, the relative energies of the [M(H2O)9]3+ and [MLa(NO3)3] complexes, average MN and M-O bond lengths of the [MLa(NO3)3] complex using four basis sets, the decomposition energies, second-order perturbative energies, the changes in Gibbs free energy for the reactions of Am(iii) ions with ligand La. See DOI: 10.1039/c7cp04625aWu, Qun-Yan et al. | 2017
- 26980
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Towards a complete characterization of the d-dispersion in dielectric spectroscopy of protein-water systemsBraun, D. / Schmollngruber, M. / Steinhauser, O. et al. | 2017
- 26986
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Could the increased structural versatility imposed by non-halogen ligands bring something new for polynuclear superhalogens? A case study on binuclear [Mg2L5]− (L = –OH, –OOH and –OF) anionsZhao, Ru-Fang / Yu, Le / Zhou, Fu-Qiang / Li, Jin-Feng / Yin, Bing et al. | 2017
- 26986
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Could the increased structural versatility imposed by non-halogen ligands bring something new for polynuclear superhalogens? A case study on binuclear [Mg2L5]− (L = -OH, -OOH and -OF) anionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05037bZhao, Ru-Fang et al. | 2017
- 26996
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Accurate experimental and theoretical enthalpies of association of TiCl4 with typical Lewis bases used in heterogeneous Ziegler–Natta catalysisCredendino, R. / Minenkov, Y. / Liguori, D. / Piemontesi, F. / Melchior, A. / Morini, G. / Tolazzi, M. / Cavallo, L. et al. | 2017
- 27007
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Transmutation effects on long-term Cs retention in phyllosilicate minerals from first principlesSassi, Michel / Okumura, Masahiko / Machida, Masahiko / Rosso, Kevin M. et al. | 2017
- 27025
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Structural transition in metal-centered boron clusters: from tubular molecular rotors Ta@B21 and Ta@B22+ to cage-like endohedral metalloborospherene Ta@B22−Li, Hai-Ru / Liu, Hui / Tian, Xin-Xin / Zan, Wen-Yan / Mu, Yue-Wen / Lu, Hai-Gang / Li, Jun / Wang, Yue-Kui / Li, Si-Dian et al. | 2017
- 27031
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Theoretical study of the effect of different n-doping elements on band structure and optical gain of GeSn alloysHuang, Wenqi / Yang, Hong / Cheng, Buwen / Xue, Chunlai et al. | 2017
- 27038
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Self-assembly of diphenylalanine with preclick components as capping groupsGemma, Andrea / Mayans, Enric / Ballano, Gema / Torras, Juan / Díaz, Angélica / Jiménez, Ana I. / Puiggalí, Jordi / Cativiela, Carlo / Alemán, Carlo et al. | 2017
- 27065
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Combined use of EPR and 23Na MAS NMR spectroscopy for assessing the properties of the mixed cobalt–nickel–manganese layers of P3-NayCo1−2xNixMnxO2Kalapsazova, M. / Ivanova, S. / Kukeva, R. / Simova, S. / Wegner, S. / Zhecheva, E. / Stoyanova, R. et al. | 2017
- 27074
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A comparison of SERS and MEF of rhodamine 6G on a gold substrateKohr, Elizabeth / Karawdeniya, Buddini I. / Dwyer, Jason R. / Gupta, Anju / Euler, William B. et al. | 2017
- 27081
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Textured ZnO films from evaporation-triggered aggregation of nanocrystal dispersions and their use in solar cellsYan, Junfeng / Lian, Qing / Mokhtar, Muhamad Z. / Milani, Amir H. / Whittaker, Eric / Hamilton, Bruce / O’Brien, Paul / Nguyen, Nam T. / Saunders, Brian R. et al. | 2017
- 27090
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DFT study of the structure, chemical ordering and molecular adsorption of Pd–Ir nanoalloysFan, Tian-E / Demiroglu, Ilker / Hussein, Heider A. / Liu, Tun-Dong / Johnston, Roy L. et al. | 2017
- 27099
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Inversion of the 11Bu and 21Ag electronic states of all-trans-1,6-diphenyl-1,3,5-hexatriene in carbon disulfideCatalán, Javier et al. | 2017
- 27105
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On the microscopic origin of the temperature evolution of isosteric heat for methane adsorption on graphiteLiu, Lumeng / Zhang, Han / Do, D. D. / Nicholson, D. / Liu, Junjie et al. | 2017
- 27116
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First-principles investigation of H2S adsorption and dissociation on titanium carbide surfacesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05756cWang, Shiyan et al. | 2017
- 27116
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First-principles investigation of H2S adsorption and dissociation on titanium carbide surfacesWang, Shiyan / Zhang, Xilin / Zhang, Yanxing / Mao, Jianjun / Yang, Zongxian et al. | 2017
- 27123
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Relationship between the photoinduced electron transfer and binding modes of a pyrene–porphyrin dyad to DNALee, Hyun Suk / Han, Ji Hoon / Park, Jin Ha / Heo, Myeong Eun / Hirakawa, Kazutaka / Kim, Seog K. / Cho, Dae Won et al. | 2017
- 27132
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Edge-defect induced spin-dependent Seebeck effect and spin figure of merit in graphene nanoribbonsLiu, Qing-Bo / Wu, Dan-Dan / Fu, Hua-Hua et al. | 2017
- 27141
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Back cover| 2017
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Awaking N-hyperfine couplings in charged yttrium nitride endohedral fullerenesElectronic supplementary information (ESI) available: HPLC data, MALDI-TOF MS data, UV-Vis spectrum, ESR spectrum and calculation results. See DOI: 10.1039/c7cp05444kZhao, Chong et al. | 2017
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Cisplatin and transplatin interaction with methionine: bonding motifs assayed by vibrational spectroscopy in the isolated ionic complexesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05203kPaciotti, Roberto et al. | 2017
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Accurate experimental and theoretical enthalpies of association of TiCl4 with typical Lewis bases used in heterogeneous Ziegler-Natta catalysisElectronic supplementary information (ESI) available: Calorimetry details, Cartesian coordinates, and energies. See DOI: 10.1039/c7cp04047dCredendino, R et al. | 2017
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Ordering and phase separation in Gd-doped ceria: a combined DFT, cluster expansion and Monte Carlo studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04106cguns, Pjotrs A et al. | 2017
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Understanding the structure and reactivity of NiCu nanoparticles: an atomistic modelElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04641cQuaino, P et al. | 2017
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Study of the interaction between cisplatin and the Au18(SR)14 cluster: in search of an appropriate cisplatin carrierElectronic supplementary information (ESI) available: Correlation between previous calculations (Gaussian) with the new ones (ORCA); UV spectra and their orbital contribution; bonding distributon of calculated complexes; and calculated Boltzmann weights. See DOI: 10.1039/c7cp04452fPalacios-Álvarez, O et al. | 2017
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Effects of TiCl4 treatment on the structural and electrochemical properties of a porous TiO2 layer in CH3NH3PbI3 perovskite solar cellsElectronic supplementary information (ESI) available: Cl 2p XPS data of various pTiO2 samples. Surface and cross-sectional SEM images of various pTiO2 samples. Nyquist plots of EIS measurements of pTiO2. Photovoltaic performances (Jsc, Voc, fill factor, PCE) of CH3NH3PbI3 perovskite solar cells deposited on pTiO2 layers treated with solutions with different concentrations of TiCl4 for forward scan conditions. Summary of electrochemical impedance parameters of various pTiO2 samples and CH3NH3PbI3 perovskite solar cells. See DOI: 10.1039/c7cp04132bAdli, Hasyiya Karimah et al. | 2017
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Structural transition in metal-centered boron clusters: from tubular molecular rotors Ta@B21 and Ta@B22+ to cage-like endohedral metalloborospherene Ta@B22−Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05179dLi, Hai-Ru et al. | 2017