Solution-processed two-dimensional layered heterostructure thin-film with optimized thermoelectric performance (Englisch)
- Neue Suche nach: Wang, Tongzhou
- Neue Suche nach: Liu, Congcong
- Neue Suche nach: Jiang, Fengxing
- Neue Suche nach: Xu, Zhaofen
- Neue Suche nach: Wang, Xiaodong
- Neue Suche nach: Li, Xia
- Neue Suche nach: Li, Changcun
- Neue Suche nach: Xu, Jingkun
- Neue Suche nach: Yang, Xiaowei
- Neue Suche nach: Wang, Tongzhou
- Neue Suche nach: Liu, Congcong
- Neue Suche nach: Jiang, Fengxing
- Neue Suche nach: Xu, Zhaofen
- Neue Suche nach: Wang, Xiaodong
- Neue Suche nach: Li, Xia
- Neue Suche nach: Li, Changcun
- Neue Suche nach: Xu, Jingkun
- Neue Suche nach: Yang, Xiaowei
In:
Physical Chemistry Chemical Physics
;
19
, 27
;
17560-17567
;
2017
- Aufsatz (Zeitschrift) / Elektronische Ressource
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Titel:Solution-processed two-dimensional layered heterostructure thin-film with optimized thermoelectric performance
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Beteiligte:Wang, Tongzhou ( Autor:in ) / Liu, Congcong ( Autor:in ) / Jiang, Fengxing ( Autor:in ) / Xu, Zhaofen ( Autor:in ) / Wang, Xiaodong ( Autor:in ) / Li, Xia ( Autor:in ) / Li, Changcun ( Autor:in ) / Xu, Jingkun ( Autor:in ) / Yang, Xiaowei ( Autor:in )
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Erschienen in:Physical Chemistry Chemical Physics ; 19, 27 ; 17560-17567
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Verlag:
- Neue Suche nach: The Royal Society of Chemistry
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Erscheinungsdatum:12.07.2017
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Format / Umfang:8 pages
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ISSN:
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Coden:
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DOI:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Elektronische Ressource
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Sprache:Englisch
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Datenquelle:
Inhaltsverzeichnis – Band 19, Ausgabe 27
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 18100
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Correction: Zn2+ and Cd2+ cationized serine complexes: infrared multiple photon dissociation spectroscopy and density functional theory investigationsCoates, Rebecca A. / Boles, Georgia C. / McNary, Christopher P. / Berden, Giel / Oomens, Jo / Armentrout, P. B. et al. | 2017
- 181
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Surface restructuring of Cu-based single-atom alloy catalysts under reaction conditions: the essential role of adsorbatesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02152fYang, Kunran et al. | 2017
- 183
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Structural stability and the electronic properties of a (SiH)2O-formed siloxene sheet: a computational studyElectronic supplementary information (ESI) available: Fig. S1 The convergence test for the imaginary part of dielectric function versus the k-point sampling. Fig. S2 The pictures of the eigenvector of the lowest unstable mode at the Γ point in the ideal (SiH)2O sheet. Fig. S3 The orientation-dependent Young's modulus and Poisson's ratio for the ideal (SiH)2O sheet. See DOI: 10.1039/c7cp03250aWang, Yanli et al. | 2017
- 1756
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Solution-processed two-dimensional layered heterostructure thin-film with optimized thermoelectric performanceElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02011bWang, Tongzhou et al. | 2017
- 1767
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Investigation of the shock-induced chemical reaction (SICR) in Ni + Al nanoparticle mixturesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03176aXiong, Yongnan et al. | 2017
- 1767
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CoN3 embedded graphene, a potential catalyst for the oxygen reduction reaction from a theoretical perspectiveElectronic supplementary information (ESI) available: Fig. S1 shows the possible configurations for each adsorbed species involved in the ORR on CoN3 embedded graphene. Fig. S2 shows atomic structures of the unoptimized initial state and the optimized final state for HOOH species on CoN3 embedded graphene. Fig. S3 shows the molecular dynamic simulations of HOOH species adsorbed on CoN3 embedded graphene. Fig. S4 is the free energy diagram for the OOH dissociation reaction pathway on CoN3 embedded graphene at different electrode potentials U. See DOI: 10.1039/c7cp02622fSun, Xiaoxu et al. | 2017
- 1778
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Cu supported on mesoporous ceria: water gas shift activity at low Cu loadings through metal-support interactionsElectronic supplementary information (ESI) available: Includes CuO particle size distribution (Fig. S1), surface area normalized activity (Fig. S2), operando X-ray diffraction data on 10%, 3%, and 1% mesoporous Cu/CeO2 catalysts, along with Rietveld refinement results (Fig. S3-S11). Additionally, DRIFTS data is available for 10% mesoporous Cu/CeO2 (Fig. S12). See DOI: 10.1039/c7cp02378bVovchok, Dimitriy et al. | 2017
- 1785
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Combining random walk and regression models to understand solvation in multi-component solvent systemsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02873cGale, Ella M et al. | 2017
- 1794
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In situ analysis of reaction kinetics of reduction promotion of NiMn2O4 under microwave H-field irradiationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02728aFukushima, Jun et al. | 2017
- 17960
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New PCBM/carbon based electron transport layer for perovskite solar cellsMamun, Abdullah Al / Ava, Tanzila Tasnim / Zhang, Kai / Baumgart, Helmut / Namkoong, Gon et al. | 2017
- 1799
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Weak interactions and their impact on cellulose dissolution in an alkali/urea aqueous systemElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02514aWang, Sen et al. | 2017
- 18102
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Correction: A critical comparison of coarse-grained structure-based approaches and atomic models of protein foldingHu, Jie / Chen, Tao / Wang, Moye / Chan, Hue Sun / Zhang, Zhuqing et al. | 2017
- 18103
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Back cover| 2017
- 1818
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Intricate kinetics: in situ FTIR-spectroscopy discloses a phase change during ionic liquid synthesisElectronic supplementary information (ESI) available: Experimental procedure, time-resolved spectra and further evaluation of all experiments and the 1H-NMR-spectrum. See DOI: 10.1039/c7cp03257aOhligschläger, A et al. | 2017
- 18023
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Improved magnetic and magnetoelectric properties in BaFe12O19 nanostructuresXu, Xingyu / Huang, Fengzhen / Shao, Ye / Zhou, Min / Ren, Xianming / Lu, Xiaomei / Zhu, Jinsong et al. | 2017
- 1836
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Glucose directs amyloid-beta into membrane-active oligomersElectronic supplementary information (ESI) available: Supplementary figures. See DOI: 10.1039/c7cp02849kKedia, Niraja et al. | 2017
- 18047
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Mechanisms of carbon monoxide hydrogenation yielding formaldehyde catalyzed by the representative strong mineral acid, H2SO4, and Lewis–Brønsted superacid, HF/AlF3Rybacka, Olimpia / Czapla, Marcin / Skurski, Piotr et al. | 2017
- 1855
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Charge-transfer states in triazole linked donor-acceptor materials: strong effects of chemical modification and solvationElectronic supplementary information (ESI) available: UV/vis absorption and emission spectra, maxima of the spectra, optimized molecular structures of the investigated materials and crystallographic information. CCDC 1536607-1536609. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7cp01664fKautny, Paul et al. | 2017
- 1868
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Enlargement of the organic solid-state DFB laser wavelength tuning range by the use of two complementary luminescent dyes doped into the host matrixElectronic supplementary information (ESI) available: Graph of luminescence decay curves of DCNP crystals for selected dye-doped polymers measured at room temperature, a plot presenting deconvolution of biexponential DCNP crystal luminescence decay into two components as a function of relative A/D weight ratios in the samples, a table with relative amplitudes of biexponential DCNP crystal luminescence decay time constants for studied samples, and a table containing pumping light energy densities for the STE spectra shown in Fig. 4 of the main article. See DOI: 10.1039/c7cp02249bParafiniuk, Kacper et al. | 2017
- 1876
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Multi-spectroscopic and theoretical analyses on the diphenyl ether-tert-butyl alcohol complex in the electronic ground and electronically excited stateElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02967eBernhard, Dominic et al. | 2017
- 1889
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Effects of annealing atmosphere and rGO concentration on the optical properties and enhanced photocatalytic performance of SnSe/rGO nanocompositesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02995kShiravizadeh, A. Ghorban et al. | 2017
- 18099
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Correction: Influence of particle size and dielectric environment on the dispersion behaviour and surface plasmon in nickel nanoparticlesSharma, Vikash / Chotia, Chanderbhan / Tarachand, / Ganesan, Vedachalaiyer / Okram, Gunadhor S. et al. | 2017
- 17473
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Front cover| 2017
- 17474
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Inside front cover| 2017
- 17475
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Contents list| 2017
- 17493
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PbTiO3-based perovskite ferroelectric and multiferroic thin filmsWang, Yilin / Zhao, Hanqing / Zhang, Linxing / Chen, Jun / Xing, Xianran et al. | 2017
- 17516
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Understanding the polymorphism-dependent emission properties of molecular crystals using a refined QM/MM approachLi, Yunzhi / Wang, Guoqiang / Li, Wei / Wang, Yue / Li, Shuhua et al. | 2017
- 17521
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Adsorption on graphene: flat to edge to end transitions of phenyl hydroquinoneChen, Lifu / Tanner, Eden E. L. / Compton, Richard G. et al. | 2017
- 17521
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Adsorption on graphene: flat to edge to end transitions of phenyl hydroquinoneElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03261gChen, Lifu et al. | 2017
- 17526
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Experimental evidence of an electronic transition in CeP under pressure using Ce L3 XASJoseph, B. / Torchio, R. / Benndorf, C. / Irifune, T. / Shinmei, T. / Pöttgen, R. / Zerr, A. et al. | 2017
- 17531
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Water–chromophore electron transfer determines the photochemistry of cytosine and cytidineSzabla, Rafał / Kruse, Holger / Šponer, Jiří / Góra, Robert W. et al. | 2017
- 17531
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Water-chromophore electron transfer determines the photochemistry of cytosine and cytidineElectronic supplementary information (ESI) available: A movie showing the molecular mechanism of the EDPT process, vibrational frequencies of the T1 state, assignment of experimental TR-IR peaks, additional PE profiles, geometries of C-, mC- and cytidine-water clusters, vertical excitation energies from the S1 and T1 minima, analysis of the CASVB results and description of the methodology. See DOI: 10.1039/c7cp02635hSzabla, Rafa et al. | 2017
- 17538
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Structural stability and stabilization of Li2MoO3Tian, Meng / Gao, Yurui / Xiao, Ruijuan / Wang, Zhaoxiang / Chen, Liquan et al. | 2017
- 17538
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Structural stability and stabilization of Li2MoO3Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03594bTian, Meng et al. | 2017
- 17544
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Efficient light harvesting within a C153@Zr-based MOF embedded in a polymeric film: spectral and dynamical characterizationGutiérrez, M. / López-González, M. / Sánchez, F. / Douhal, A. et al. | 2017
- 17544
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Efficient light harvesting within a C153@Zr-based MOF embedded in a polymeric film: spectral and dynamical characterizationElectronic supplementary information (ESI) available: Fig. S1 and S2 show the TGA curves of the studied materials and molecules. Fig. S3 displays some photos of the MMMs. Fig. S4 contains the X-ray diffraction pattern of PC, C153@Zr-NDC and C153@Zr-NDC/PC. Fig. S5 exhibits the normalized UV-visible absorption and emission spectra of PC, 2,6-NDC/PC, and C153/2,6-NDC/PC membranes. Fig. S6 displays the spectral overlap between Zr-NDC emission and C153@Zr-NDC absorption in PC. See DOI: 10.1039/c7cp02094eGutiérrez, M et al. | 2017
- 17553
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Rotational spectra of tetracyclic quinolizidine alkaloids: does a water molecule flip sparteine?Lesarri, Alberto / Pinacho, Ruth / Enríquez, Lourde / Rubio, José E. / Jaraíz, Martín / Abad, José L. / Gigosos, Marco A. et al. | 2017
- 17553
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Rotational spectra of tetracyclic quinolizidine alkaloids: does a water molecule flip sparteine?Electronic supplementary information (ESI) available: Fig. S1-S3, computational data (Tables S1-S3), experimental transitions (Tables S4-S6), rotational parameters for the 18O water isotopologue (Table S7), atomic coordinates (Tables S8-S15) and binding energies (Table S16). See DOI: 10.1039/c7cp01432eLesarri, Alberto et al. | 2017
- 17560
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Solution-processed two-dimensional layered heterostructure thin-film with optimized thermoelectric performanceWang, Tongzhou / Liu, Congcong / Jiang, Fengxing / Xu, Zhaofen / Wang, Xiaodong / Li, Xia / Li, Changcun / Xu, Jingkun / Yang, Xiaowei et al. | 2017
- 17568
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Transport of nanoparticles across pulmonary surfactant monolayer: a molecular dynamics studyXu, Yan / Deng, Li / Ren, Hao / Zhang, Xianren / Huang, Fang / Yue, Tongtao et al. | 2017
- 17577
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Efficient simulation of ultrafast magnetic resonance experimentsGuduff, Ludmilla / Allami, Ahmed J. / van Heijenoort, Carine / Dumez, Jean-Nicola / Kuprov, Ilya et al. | 2017
- 17587
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Oxidized and Si-doped graphene: emerging adsorbents for removal of dioxaneCortés-Arriagada, Diego / Miranda-Rojas, Sebastián / Ortega, Daniela E. / Toro-Labbé, Alejandro et al. | 2017
- 17587
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Oxidized and Si-doped graphene: emerging adsorbents for removal of dioxaneElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03076bCortés-Arriagada, Diego et al. | 2017
- 17598
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A comparative study on the N-heterocyclic carbene adducts of Ih-C60, D5h-C70 and Sc3N@Ih-C80Jin, Peng / Yang, Le / Liu, Chang / Chen, Muqing / Hou, Qinghua / Li, Lanlan / Zhao, Yujun et al. | 2017
- 17607
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Investigation of the shock-induced chemical reaction (SICR) in Ni + Al nanoparticle mixturesXiong, Yongnan / Xiao, Shifang / Deng, Huiqiu / Zhu, Wenjun / Hu, Wangyu et al. | 2017
- 17618
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Stoichiometric network analysis of spontaneous mirror symmetry breaking in chemical reactionsHochberg, David et al. | 2017
- 17637
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Effects of sodium cationization versus protonation on the conformations and N-glycosidic bond stabilities of sodium cationized Urd and dUrd: solution conformation of [Urd+Na]+ is preserved upon ESIElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02377dZhu, Y et al. | 2017
- 17637
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Effects of sodium cationization versus protonation on the conformations and N-glycosidic bond stabilities of sodium cationized Urd and dUrd: solution conformation of [Urd+Na]+ is preserved upon ESIZhu, Y. / Roy, H. A. / Cunningham, N. A. / Strobehn, S. F. / Gao, J. / Munshi, M. U. / Berden, G. / Oomens, J. / Rodgers, M. T. et al. | 2017
- 17653
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Light-activated electric bistability for evaporated silver nanoparticles in organic field-effect transistorsHan, Tao / Liu, Linlin / Wei, Mingying / Wang, Cong / Wu, Xiaoyan / Xie, Zengqi / Ma, Yuguang et al. | 2017
- 17661
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Combining two redox active rare earth elements for oxygen storage – electrical properties and defect chemistry of ceria–praseodymia single crystalsMichel, Kathrin / Eufinger, Jens-Peter / Ulbrich, Gregor / Lerch, Martin / Janek, Juergen / Elm, Matthias T. et al. | 2017
- 17670
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CoN3 embedded graphene, a potential catalyst for the oxygen reduction reaction from a theoretical perspectiveSun, Xiaoxu / Li, Kai / Yin, Cong / Wang, Ying / He, Feng / Tang, Hao / Wu, Zhijian et al. | 2017
- 17677
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Fast crystalline ice formation at extremely low temperature through water/neon matrix sublimationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03315jHama, Tetsuya et al. | 2017
- 17677
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Fast crystalline ice formation at extremely low temperature through water/neon matrix sublimationHama, Tetsuya / Ishizuka, Shinnosuke / Yamazaki, Tomoya / Kimura, Yuki / Kouchi, Akira / Watanabe, Naoki / Sugimoto, Toshiki / Pirronello, Valerio et al. | 2017
- 17685
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Energetic and spectroscopic properties of the low-lying C7H2 isomers: a high-level ab initio perspectiveThimmakondu, Venkatesan S. / Karton, Amir et al. | 2017
- 17685
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Energetic and spectroscopic properties of the low-lying C7H2 isomers: a high-level ab initio perspectiveElectronic supplementary information (ESI) available: Cartesian coordinates, total electronic energies, ZPVEs, and dipole moments corresponding to the optimized geometries of 1-9 at different levels of theory are given. The isotopic shifts (12C-mono-substituted-13C) in harmonic vibrational frequencies are also given. See DOI: 10.1039/c7cp02848bThimmakondu, Venkatesan S et al. | 2017
- 17698
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Parameterization of a coarse-grained model with short-ranged interactions for modeling fuel cell membranes with controlled water uptakeLu, Jibao / Miller, Chance / Molinero, Valeria et al. | 2017
- 17708
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Cu supported on mesoporous ceria: water gas shift activity at low Cu loadings through metal–support interactionsVovchok, Dimitriy / Guild, Curtis J. / Llorca, Jordi / Xu, Wenqian / Jafari, Tahereh / Toloueinia, Panteha / Kriz, David / Waluyo, Iradwikanari / Palomino, Robert M. / Rodriguez, José A. et al. | 2017
- 17718
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Quasi-classical trajectory studies on the full-dimensional accurate potential energy surface for the OH + H2O = H2O + OH reactionBai, Mengna / Lu, Dandan / Li, Jun et al. | 2017
- 17718
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Quasi-classical trajectory studies on the full-dimensional accurate potential energy surface for the OH + H2O = H2O + OH reactionElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02656kBai, Mengna et al. | 2017
- 17726
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Hierarchical self-assembly of photoluminescent CdS nanoparticles into a bile acid derived organogel: morphological and photophysical propertiesChatterjee, Sayantan / Maitra, Uday et al. | 2017
- 17726
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Hierarchical self-assembly of photoluminescent CdS nanoparticles into a bile acid derived organogel: morphological and photophysical propertiesElectronic supplementary information (ESI) available: Gel melting temperatures, pXRD, rheology, additional POM, SEM images of the gel and copies of NMR spectra. See DOI: 10.1039/c7cp02519jChatterjee, Sayantan et al. | 2017
- 17735
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Exploring the structure and photodissociation mechanism of the electronic states of iodocarbene, CHI: a theoretical contributionShan, Shimin / Yan, Peiyuan / Zhang, Xiaomei / Yin, Shuang / Yuan, Xiang / Xu, Haifeng / Yan, Bing et al. | 2017
- 17735
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Exploring the structure and photodissociation mechanism of the electronic states of iodocarbene, CHI: a theoretical contributionElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02575kShan, Shimin et al. | 2017
- 17745
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Influence of HMW tail chains on the structural evolution of HDPE induced by second melt penetrationZhu, Chun-Xia / Xia, Xiao-Chao / Huang, Yan-Hao / Xie, Dan-Dan / Chen, Rui / Yang, Ming-Bo et al. | 2017
- 17745
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Influence of HMW tail chains on the structural evolution of HDPE induced by second melt penetrationElectronic supplementary information (ESI) available: The method for shear field of M3IM was depicted. See DOI: 10.1039/c7cp02104fZhu, Chun-Xia et al. | 2017
- 17756
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Depleted upconversion luminescence in NaYF4:Yb3+,Tm3+ nanoparticles via simultaneous two-wavelength excitationElectronic supplementary information (ESI) available: (1) The influence of the particle concentration on depletion efficiency; (2) the UCL spectra of different doping concentrations of Tm3+ ions; (3) ion distance of different contents of Tm3+ ions. See DOI: 10.1039/c7cp00099eZhang, Hongxin et al. | 2017
- 17756
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Depleted upconversion luminescence in NaYF4:Yb3+,Tm3+ nanoparticles via simultaneous two-wavelength excitationZhang, Hongxin / Jia, Tianqing / Chen, Long / Zhang, Yuchan / Zhang, Shian / Feng, Donghai / Sun, Zhenrong / Qiu, Jianrong et al. | 2017
- 17765
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Enhancing TMR and spin-filtration by using out-of-plane graphene insulating barrier in MTJsMeena, Shweta / Choudhary, Sudhanshu et al. | 2017
- 17773
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Molecular simulation of CH4/CO2/H2O competitive adsorption on low rank coal vitriniteYu, Song / Bo, Jiang / Wu, Li et al. | 2017
- 17789
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Enhanced electro-active phase in a luminescent P(VDF–HFP)/Zn2+ flexible composite film for piezoelectric based energy harvesting applications and self-powered UV light detectionAdhikary, Prakriti / Mandal, Dipankar et al. | 2017
- 17789
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Enhanced electro-active phase in a luminescent P(VDF-HFP)/Zn2+ flexible composite film for piezoelectric based energy harvesting applications and self-powered UV light detectionElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01714fAdhikary, Prakriti et al. | 2017
- 17799
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An investigation of Na-related defects in Cu2ZnSnSe4Han, Miaomiao / Zhang, Xiaoli / Zeng, Zhi et al. | 2017
- 17805
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Combining random walk and regression models to understand solvation in multi-component solvent systemsGale, Ella M. / Johns, Marcus A. / Wirawan, Remigius H. / Scott, Janet L. et al. | 2017
- 17816
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Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulationsHató, Zoltán / Valiskó, Mónika / Kristóf, Tamá / Gillespie, Dirk / Boda, Dezsö et al. | 2017
- 17816
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Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01819cHató, Zoltán et al. | 2017
- 17827
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Tracking the dissolution of calcite single crystals in acid waters: a simple method for measuring fast surface kineticsAdobes-Vidal, Maria / Pearce, Harriet / Unwin, Patrick R. et al. | 2017
- 17834
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Introducing the triangular BN nanodot or its cooperation with the edge-modification via the electron-donating/withdrawing group to achieve the large first hyperpolarizability in a carbon nanotube systemZhang, Xueying / Yu, Guangtao / Huang, Xuri / Chen, Wei et al. | 2017
- 17845
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2D-3D structural transition in sub-nanometer PtN clusters supported on CeO2(111)Electronic supplementary information (ESI) available: PDF file, including all the xyz coordinates of the systems considered in our work. See DOI: 10.1039/c7cp02753bPaz-Borbón, Lauro Oliver et al. | 2017
- 17845
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2D–3D structural transition in sub-nanometer PtN clusters supported on CeO2(111)Paz-Borbón, Lauro Oliver / López-Martínez, Andre / Garzón, Ignacio L. / Posada-Amarillas, Alvaro / Grönbeck, Henrik et al. | 2017
- 17856
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Computing distance distributions from dipolar evolution data with overtones: RIDME spectroscopy with Gd(iii)-based spin labelsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01524kKeller, Katharina et al. | 2017
- 17856
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Computing distance distributions from dipolar evolution data with overtones: RIDME spectroscopy with Gd(iii)-based spin labelsKeller, Katharina / Mertens, Valerie / Qi, Mian / Nalepa, Anna I. / Godt, Adelheid / Savitsky, Anton / Jeschke, Gunnar / Yulikov, Maxim et al. | 2017
- 17877
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Exciton dynamics in tungsten dichalcogenide monolayersLiu, Hongwei / Lu, Junpeng et al. | 2017
- 17883
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On the effect of confined fluid molecular structure on nonequilibrium phase behaviour and frictionElectronic supplementary information (ESI) available: Discussion of the thermal correction procedure, the molecular dynamics force-field, boundary slip and film thickness as well as additional flow profiles. See DOI: 10.1039/c7cp01895aEwen, J. P et al. | 2017
- 17883
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On the effect of confined fluid molecular structure on nonequilibrium phase behaviour and frictionEwen, J. P. / Gattinoni, C. / Zhang, J. / Heyes, D. M. / Spikes, H. A. / Dini, D. et al. | 2017
- 17895
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A systematic computational study of the structure crossover and coordination number distribution of metallic nanoparticlesMyshlyavtsev, Alexander V. / Stishenko, Pavel V. / Svalova, Anna I. et al. | 2017
- 17904
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In situ analysis of reaction kinetics of reduction promotion of NiMn2O4 under microwave H-field irradiationFukushima, Jun / Takayama, Sadatsugu / Goto, Hiroshi / Sato, Motoyasu / Takizawa, Hirotsugu et al. | 2017
- 17909
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Weak interactions and their impact on cellulose dissolution in an alkali/urea aqueous systemWang, Sen / Sun, Peng / Liu, Maili / Lu, Ang / Zhang, Lina et al. | 2017
- 17918
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Theoretical insights into the effect of terrace width and step edge coverage on CO adsorption and dissociation over stepped Ni surfacesYang, Kuiwei / Zhang, Minhua / Yu, Yingzhe et al. | 2017
- 17918
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Theoretical insights into the effect of terrace width and step edge coverage on CO adsorption and dissociation over stepped Ni surfacesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03050aYang, Kuiwei et al. | 2017
- 17928
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Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron densityElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02110kLefebvre, Corentin et al. | 2017
- 17928
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Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron densityLefebvre, Corentin / Rubez, Gaëtan / Khartabil, Hassan / Boisson, Jean-Charle / Contreras-García, Julia / Hénon, Eric et al. | 2017
- 17937
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Role of ligands in the stability of BnXn and CBn−1Xn (n = 5-10; X = H, F, CN) and their potential as building blocks of electrolytes in lithium ion batteriesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02642kZhong, MingMin et al. | 2017
- 17937
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Role of ligands in the stability of BnXn and CBn−1Xn (n = 5–10; X = H, F, CN) and their potential as building blocks of electrolytes in lithium ion batteriesZhong, MingMin / Zhou, Jian / Fang, Hong / Jena, Puru et al. | 2017
- 17944
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Cyclic voltammetry modeling of proton transport effects on redox charge storage in conductive materials: application to a TiO2 mesoporous filmKim, Y. S. / Balland, V. / Limoges, B. / Costentin, C. et al. | 2017
- 17944
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Cyclic voltammetry modeling of proton transport effects on redox charge storage in conductive materials: application to a TiO2 mesoporous filmElectronic supplementary information (ESI) available: Derivation of equations. Experimental details. See DOI: 10.1039/c7cp02810eKim, Y. S et al. | 2017
- 17952
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Quantifying ultrafast charge carrier injection from methylammonium lead iodide into the hole-transport material H101 and mesoporous TiO2 using Vis-NIR transient absorptionKlein, Johannes R. / Scholz, Mirko / Oum, Kawon / Lenzer, Thoma et al. | 2017
- 17952
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Quantifying ultrafast charge carrier injection from methylammonium lead iodide into the hole-transport material H101 and mesoporous TiO2 using Vis-NIR transient absorptionElectronic supplementary information (ESI) available: Photoluminescence quenching efficiency of H101; addition of an organic top layer to glass-TiO2-MAPI; spectroelectrochemistry experiments; biexponential fits of the NIR kinetics at 1500 nm. See DOI: 10.1039/c7cp02459bKlein, Johannes R et al. | 2017
- 17967
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Anomalous lattice behavior of vanadium pentaoxide (V2O5): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamicsPACS: 78.70.Nx, 63.20.-e, 65.40.-b.Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01904aSingh, Baltej et al. | 2017
- 17967
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Anomalous lattice behavior of vanadium pentaoxide (V2O5): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamicsSingh, Baltej / Gupta, Mayanak Kumar / Mishra, Sanjay Kumar / Mittal, Ranjan / Sastry, P. U. / Rols, Stephane / Chaplot, Samrath Lal et al. | 2017
- 17985
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Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics methodWatanabe, Hiroshi C. / Kubillus, Maximilian / Kubař, Tomáš / Stach, Robert / Mizaikoff, Bori / Ishikita, Hiroshi et al. | 2017
- 17985
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Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics methodElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01708aWatanabe, Hiroshi C et al. | 2017
- 17998
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Inelastic neutron scattering study of reline: shedding light on the hydrogen bonding network of deep eutectic solventsAraujo, C. F. / Coutinho, J. A. P. / Nolasco, M. M. / Parker, S. F. / Ribeiro-Claro, P. J. A. / Rudić, S. / Soares, B. I. G. / Vaz, P. D. et al. | 2017
- 18010
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Surface restructuring of Cu-based single-atom alloy catalysts under reaction conditions: the essential role of adsorbatesYang, Kunran / Yang, Bo et al. | 2017
- 18018
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Intricate kinetics: in situ FTIR-spectroscopy discloses a phase change during ionic liquid synthesisOhligschläger, A. / Liauw, M. A. et al. | 2017
- 18030
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Structural stability and the electronic properties of a (SiH)2O-formed siloxene sheet: a computational studyWang, Yanli / Ding, Yi et al. | 2017
- 18036
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Glucose directs amyloid-beta into membrane-active oligomersKedia, Niraja / Almisry, Michael / Bieschke, Jan et al. | 2017
- 18047
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Mechanisms of carbon monoxide hydrogenation yielding formaldehyde catalyzed by the representative strong mineral acid, H2SO4, and Lewis-Bronsted superacid, HF/AlF3Rybacka, O. / Czapla, M. / Skurski, P. et al. | 2017
- 18055
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Charge-transfer states in triazole linked donor–acceptor materials: strong effects of chemical modification and solvationKautny, Paul / Glöcklhofer, Florian / Kader, Thoma / Mewes, Jan-Michael / Stöger, Berthold / Fröhlich, Johanne / Lumpi, Daniel / Plasser, Felix et al. | 2017
- 18068
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Enlargement of the organic solid-state DFB laser wavelength tuning range by the use of two complementary luminescent dyes doped into the host matrixParafiniuk, Kacper / Sznitko, Lech / Wawrzynczyk, Dominika / Miniewicz, Andrzej / Mysliwiec, Jaroslaw et al. | 2017
- 18076
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Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited stateBernhard, Dominic / Dietrich, Fabian / Fatima, Mariyam / Perez, Cristobal / Poblotzki, Anja / Jansen, Georg / Suhm, Martin A. / Schnell, Melanie / Gerhards, Marku et al. | 2017
- 18089
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Effects of annealing atmosphere and rGO concentration on the optical properties and enhanced photocatalytic performance of SnSe/rGO nanocompositesShiravizadeh, A. Ghorban / Yousefi, Ramin / Elahi, S. M. / Sebt, S. A. et al. | 2017
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Parameterization of a coarse-grained model with short-ranged interactions for modeling fuel cell membranes with controlled water uptakeElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02281fLu, Jibao et al. | 2017
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Light-activated electric bistability for evaporated silver nanoparticles in organic field-effect transistorsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02589kHan, Tao et al. | 2017
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Experimental evidence of an electronic transition in CeP under pressure using Ce L3 XASElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03022cJoseph, B et al. | 2017
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An investigation of Na-related defects in Cu2ZnSnSe4Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02192eHan, Miaomiao et al. | 2017
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A systematic computational study of the structure crossover and coordination number distribution of metallic nanoparticlesElectronic supplementary information (ESI) available: Stable configurations of nanoparticles with computed energies in the XYZ format. See DOI: 10.1039/c6cp07571aMyshlyavtsev, Alexander V et al. | 2017
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Inelastic neutron scattering study of reline: shedding light on the hydrogen bonding network of deep eutectic solventsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01286aAraujo, C. F et al. | 2017
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A comparative study on the N-heterocyclic carbene adducts of Ih-C60, D5h-C70 and Sc3N@Ih-C80Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02696jJin, Peng et al. | 2017
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Understanding the polymorphism-dependent emission properties of molecular crystals using a refined QM/MM approachElectronic supplementary information (ESI) available: Computational details of the PBC-GEBF approach, a detailed description of some parts of the work and Cartesian coordinates of the selected clusters. See DOI: 10.1039/c7cp03584eLi, Yunzhi et al. | 2017