Fracture mechanisms in multilayer phosphorene assemblies: from brittle to ductileElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01033h (Englisch)
- Neue Suche nach: Liu, Ning
- Neue Suche nach: Liu, Ning
- Neue Suche nach: Hong, Jiawang
- Neue Suche nach: Zeng, Xiaowei
- Neue Suche nach: Pidaparti, Ramana
- Neue Suche nach: Wang, Xianqiao
In:
Physical chemistry, chemical physics
;
19
, 2
; 1383-1392
;
2017
-
ISSN:
- Aufsatz (Zeitschrift) / Print
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Titel:Fracture mechanisms in multilayer phosphorene assemblies: from brittle to ductileElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01033h
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Beteiligte:
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Erschienen in:Physical chemistry, chemical physics ; 19, 2 ; 1383-1392
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Verlag:
- Neue Suche nach: The Royal Soc. of Chemistry
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Erscheinungsort:Cambridge
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Erscheinungsdatum:2017
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ISSN:
-
ZDBID:
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DOI:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Print
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Sprache:Englisch
- Neue Suche nach: 35.10
- Weitere Informationen zu Basisklassifikation
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Klassifikation:
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Datenquelle:
Inhaltsverzeichnis – Band 19, Ausgabe 2
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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.
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Theoretical study on substituent and solvent effects for nanocubes formed with gear-shaped amphiphile moleculesMashiko, T. / Hiraoka, S. / Nagashima, U. / Tachikawa, M. et al. | 2017
- 1632
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Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopiesQuesada-Moreno, María M. / Avilés-Moreno, Juan Ramón / López-González, Juan Jesú / Jacob, Kane / Vendier, Laure / Etienne, Michel / Alkorta, Ibon / Elguero, José / Claramunt, Rosa M. et al. | 2017
- 1644
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On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground- and excited states in solutionMewes, Jan-Michael / Herbert, John M. / Dreuw, Andrea et al. | 2017
- 1655
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Polaron dynamics with off-diagonal coupling: beyond the Ehrenfest approximationHuang, Zhongkai et al. | 2017
- 1669
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The correlations of the electronic structure and film growth of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on SiO2Lyu, Lu / Niu, Dongmei / Xie, Haipeng / Zhao, Yuan / Cao, Ningtong / Zhang, Hong / Zhang, Yuhe / Liu, Peng / Gao, Yongli et al. | 2017
- 1677
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Generalized Born implicit solvent models for small molecule hydration free energiesBrieg, Martin / Setzler, Julia / Albert, Steffen / Wenzel, Wolfgang et al. | 2017
- 1686
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Correction: Molecular and ionic diffusion in aqueous – deep eutectic solvent mixtures: probing inter-molecular interactions using PFG NMRD'Agostino, Carmine / Gladden, Lynn F. / Mantle, Mick D. / Abbott, Andrew P. / Ahmed, Essa I. / Al-Murshedi, Azhar Y. M. / Harris, Robert C. et al. | 2017
- 1687
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Inside back cover| 2017
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Back cover| 2017
- 12628
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More accurate depiction of adsorption energy on transition metals using work function as one additional descriptorElectronic supplementary information (ESI) available: Adsorption models and additional fitting results. See DOI: 10.1039/c7cp01817gShen, Xiaochen et al. | 2017
- 12633
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The shielding cone in spherical aromatic structures: insights from models for spherical 2(N + 1)2 aromatic fullerenesElectronic supplementary information (ESI) available: Induced magnetic field of C6010+ under different orientation of the applied field. See DOI: 10.1039/c7cp01870cMuñoz-Castro, Alvaro et al. | 2017
- 12637
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Quenching cooperative transitions by destroying Yb3+-clustersElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01678fGuo, Junjie et al. | 2017
- 12642
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Dual-core star-shaped single white polymers: the effect of host structure on luminescence propertiesElectronic supplementary information (ESI) available: Absorption and emission spectra, thermal analysis, cyclic voltammetry, additional device data, and experimental details. See DOI: 10.1039/c7cp02279dZhao, Yan et al. | 2017
- 12647
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Enhanced emission of encaged-OH−-free Ca12(1−x)Sr12xAl14O33:0.1%Gd3+ conductive phosphors via tuning the encaged-electron concentration for low-voltage FEDsZhang, Meng et al. | 2017
- 12655
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Towards a formal definition of static and dynamic electronic correlationsBenavides-Riveros, Carlos L et al. | 2017
- 12665
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On the structure of prilocaine in aqueous and amphiphilic solutionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01723eSilva-Santisteban, Alvaro et al. | 2017
- 12674
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On the decay of the triplet state of thionucleobasesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02050cBai, Shuming et al. | 2017
- 12683
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Doping of RE ions in the 2D ZnO layered system to achieve low-dimensional upconverted persistent luminescence based on asymmetric doping in ZnO systemsHuang, Bolong et al. | 2017
- 12712
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The effect of chain mobility on the coarsening process of co-continuous, immiscible polymer blends under quiescent melt annealingGong, Tao et al. | 2017
- 12749
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Doped δ-bismuth oxides to investigate oxygen ion transport as a metric for condensed phase thermite ignitionElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08532fWang, Xizheng et al. | 2017
- 12759
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Thermal convection in electrochemical cells. Boundaries with heterogeneous thermal conductivity and implications for scanning electrochemical microscopyElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01797aNovev, Javor K et al. | 2017
- 12776
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Isomerisation of an intramolecular hydrogen-bonded photoswitch: protonated azobis(2-imidazole)Electronic supplementary information (ESI) available: Synthetic procedure; all PABI isomers and isomerisation barriers; review of the level of electronic structure theory; procedure for measuring collision cross-sections; ATDs recorded following irradiation of the photoswitch solution in the electrospray syringe with blue light. See DOI: 10.1039/c7cp01733bBull, James N et al. | 2017
- 12784
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Pressure-induced insulator-to-metal transitions for enhancing thermoelectric power factor in bismuth telluride-based alloysElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01371jGaul, Andrew et al. | 2017
- 12816
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Thermodynamic cycles of the alkali metal-ligand complexes central to electride formationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00882aDale, Stephen G et al. | 2017
- 12826
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Dynamics of carbon monoxide dissociation on Co(112&cmb.macr;0)Hu, Xixi et al. | 2017
- 12838
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c-Si/n-ZnO-based flexible solar cells with silica nanoparticles as a light trapping metamaterialRoy, Arijit Bardhan et al. | 2017
- 12845
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Ion irradiation of pure and amorphous CH4 ice relevant for astrophysical environmentsVasconcelos, F. A et al. | 2017
- 12857
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Electronic structure and conformational conversion of calix[4]arene complexes with alkali metal ionsElectronic supplementary information (ESI) available: The structures of the M+·C4A (M = Na, K, Rb, and Cs) complexes obtained from the quantum chemical calculations. See DOI: 10.1039/c7cp01580aInokuchi, Yoshiya et al. | 2017
- 12868
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Probing the dynamics of N-methylacetamide in methanol via ab initio molecular dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00690jYadav, Vivek K et al. | 2017
- 12876
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High-performance gas sensors based on a thiocyanate ion-doped organometal halide perovskiteElectronic supplementary information (ESI) available: Additional SEM, Raman, XPS and AFM images, a schematic diagram of the sensing set-up, and additional sensing results. See DOI: 10.1039/c7cp01646hZhuang, Yue et al. | 2017
- 12882
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Low thermal conductivity of monolayer ZnO and its anomalous temperature dependenceWang, Huimin et al. | 2017
- 12898
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Can Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?Electronic supplementary information (ESI) available: Additional tables. See DOI: 10.1039/c7cp01576cVerma, Pragya et al. | 2017
- 12921
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Breakdown of the Stokes-Einstein water transport through narrow hydrophobic nanotubesKöhler, Mateus Henrique et al. | 2017
- 12928
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Efficient crystallization-induced emission in fluorenyl-tethered carboranesElectronic supplementary information (ESI) available: High-resolution mass spectra, crystallographic procedures, crystal packing plots, photophysical studies, TD-DFT-simulated spectra and calculated electronic transitions. CCDC 1527646, 1527647 and 1536124. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7cp02118fWang, Zhaojin et al. | 2017
- 12936
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Supramolecular nanotubes based on halogen bonding interactions: cooperativity and interaction with small guestsElectronic supplementary information (ESI) available: Cartesian coordinates and Fig. S1 and S2. See DOI: 10.1039/c7cp01724cBauzá, Antonio et al. | 2017
- 12942
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The mechanism of oxidation in chromophore maturation of wild-type green fluorescent protein: a theoretical studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07983kMa, Yingying et al. | 2017
- 12953
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Threshold concentration in the nonlinear absorbance lawElectronic supplementary information (ESI) available: Spectroscopic and aggregation study. See DOI: 10.1039/c7cp01514cTolbin, Alexander Yu et al. | 2017
- 12959
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Molecular dynamics simulations of the structure and the morphology of graphene/polymer nanocompositesGüryel, S et al. | 2017
- 12981
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Femtosecond to microsecond observation of the photochemical reaction of 1,2-di(quinolin-2-yl)disulfide with methyl methacrylateElectronic supplementary information (ESI) available: All experimental data are archived in the University of Bristol's Research Data Storage Facility (DOI: 10.5523/bris.6shpaaql5nn1lbf0jotdwc0j). Details of the synthesis of QSSQ, identification of the long-time stable product, TVA spectra of W(CO)6 to characterize the sample flow conditions, TEA and TVA spectra of QSSQ in styrene, TEA spectra of pure MMA, steady state FT-IR spectra of QSSQ, details of fits to a diffusion model, time-dependent shifts for the QS radical band observed in TVA spectra, exponential fittings for observed bands in TVA spectra in CDCl3, examples of spectral decompositions, computed infrared frequencies and potential energy curves for QSSQ, and computed electronic absorption spectra for the QS-St and QS-MMA radical. See DOI: 10.1039/c7cp01784gKoyama, Daisuke et al. | 2017
- 13111
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Hydrolysis of cephalexin and meropenem by New Delhi metallo-β-lactamase: the substrate protonation mechanism is drug dependentElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08769hDas, Chandan Kumar et al. | 2017
- 13122
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Self-assembly of inverse patchy colloids with tunable patch coverageElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00680bSabapathy, Manigandan et al. | 2017
- 13133
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Triethanolamine doped multilayer MoS2 field effect transistorsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00589jRyu, Min-Yeul et al. | 2017
- 13147
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Temperature-modulated crystal growth and performance for highly reproducible and efficient perovskite solar cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00563fSu, Tongyu et al. | 2017
- 13153
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Theoretical insights into the mechanism of ferroptosis suppression via inactivation of a lipid peroxide radical by liproxstatin-1Electronic supplementary information (ESI) available: Additional simulated and computational results and Cartesian coordinates of all optimized structures involved in this study. See DOI: 10.1039/c7cp00804jSheng, Xiehuang et al. | 2017
- 13172
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Microscale solid-state thermal diodes enabling ambient temperature thermal circuits for energy applicationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02445bWang, Song et al. | 2017
- 13182
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Investigation of the push-pull effects on β-functionalized benzoporphyrins bearing an ethynylphenyl bridgeElectronic supplementary information (ESI) available: 1H, 13C NMR and MALDI-mass spectra of newly synthesized porphyrins, spectroelectrochemical data, and additional femto- and nanosecond transient absorption data. See DOI: 10.1039/c7cp00024cWaruna Jinadasa, R. G et al. | 2017
- 13189
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Role of missing carotenoid in reducing the fluorescence of single monomeric photosystem II core complexesElectronic supplementary information (ESI) available: S1: Brief description of the algorithm used to determine the wavelength position of the most intense fluorescence emission and its full width at half-maximum. S2: Molecular surface of mPSIIcc (Fig. S5). S3: Description of the kinetic model and model calculations (Fig. S6) as well as a derivation of the used equations; See file attached as ESI-mPSII. See DOI: 10.1039/c6cp07748jSkandary, Sepideh et al. | 2017
- 13219
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Unexpected coordination number and phase diagram of niobium diselenide under compressionLiu, Zhong-Li et al. | 2017
- 13245
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Giant magnetic anisotropy of rare-earth adatoms and dimers adsorbed by graphene oxideElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01641gZhang, Kai-Cheng et al. | 2017
- 13252
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Formation of modulated phases and domain rigidification in fatty acid-containing lipid membranesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01201bShimokawa, Naofumi et al. | 2017
- 13264
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Low energy electron-induced decomposition of (η3-C3H5)Ru(CO)3Br, a potential focused electron beam induced deposition precursor with a heteroleptic ligand setThorman, Rachel M et al. | 2017
- 13281
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Improved catalysts for hydrogen evolution reaction in alkaline solutions through the electrochemical formation of nickel-reduced graphene oxide interfaceElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01237cGuti, Sanjin J et al. | 2017
- 13316
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The influence of carbon concentration on the electronic structure and magnetic properties of carbon implanted ZnO thin filmsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01939dSaravanan, K et al. | 2017
- 13324
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Oxidative remediation of 4-methylcyclohexanemethanol (MCHM) and propylene glycol phenyl ether (PPh). Evidence of contaminant repair reaction pathwaysZhao, Cen et al. | 2017
- 13341
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Interconnected LiCuVO4 networks with in situ Cu generation as high-performance lithium-ion battery anodeElectronic supplementary information (ESI) available: The fabrication of I-LCVO; SEM images of LiCuVO4 with different amounts of CTAB; TG curve of I-LCVO; SEM images of I-LCVO and A-LCVO before calcination; SEM, TEM and HRTEM images of A-LCVO; N2 adsorption/desorption measurements and pore size distributions of I-LCVO and A-LCVO; CV and discharge/charge curves of A-LCVO; cycling performances of I-LCVO and A-LCVO at different current densities; cycling performance and discharge/charge curves of I-LCVO as full cell anode; ex situ TEM images and SAED patterns of I-LCVO at the first discharged and recharged states; ex situ SEM, TEM and EDS images of I-LCVO after cycling; CV curves of A-LCVO at various scan rates; ICP results of I-LCVO and A-LCVO. See DOI: 10.1039/c7cp00049aWang, Lei et al. | 2017
- 13361
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Rare event simulations reveal subtle key steps in aqueous silicate condensationMoqadam, Mahmoud et al. | 2017
- 13372
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Low energy electron attenuation lengths in core-shell nanoparticlesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00663bJacobs, Michael I et al. | 2017
- 13379
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Packing arrangement of 13C selectively labeled sequence model peptides of Samia cynthia ricini silk fibroin fibers studied by solid-state NMRElectronic supplementary information (ESI) available: Model building procedure of the sequence model peptide with β-sheet forms. See DOI: 10.1039/c7cp01199gAsakura, Tetsuo et al. | 2017
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Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactionsElectronic supplementary information (ESI) available: Details on computational methods and results, structural parameters in comparison to related molecules, details on the Born-Oppenheimer molecular dynamics (BOMD) calculations, vibrational amplitudes and vibrational corrections for the GED refinements, experimental conditions of the GED/MS experiment, details on the modelling of GED data analysis. See DOI: 10.1039/c7cp01781bOtlyotov, Arseniy A et al. | 2017
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Calculations of current densities and aromatic pathways in cyclic porphyrin and isoporphyrin arraysElectronic supplementary information (ESI) available: Cartesian coordinates of the optimized structures and NMR shielding constants. Additional streamline plots and current pathways. See DOI: 10.1039/c7cp00624aFranzke, Yannick J et al. | 2017
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Tuning the electronic properties of monolayer and bilayer transition metal dichalcogenide compounds under direct out-of-plane compressionElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00012jGarcía, Ángel Morales et al. | 2017
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Understanding the electronic and phonon transport properties of a thermoelectric material BiCuSeO: a first-principles studyFan, D. D et al. | 2017
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Statistical modelling and simulation of nanohybrid shish-kebab architecture of PE-b-PEG copolymers and carbon nanotubesLe, Tuan et al. | 2017
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A study on one-step laser nanopatterning onto copper-hydrazone-complex thin films and its mechanismElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00477jZhang, Kui et al. | 2017
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Energy landscapes for machine learningBallard, Andrew J et al. | 2017
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Surface chemistry of methanol on different ZnO surfaces studied by vibrational spectroscopyJin, Lanying et al. | 2017
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Understanding doping strategies in the design of organic electrode materials for Li and Na ion batteries: an electronic structure perspectiveElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01554bLüder, Johann et al. | 2017
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Self-assembled core-polyethylene glycol-lipid shell nanoparticles demonstrate high stability in shear flowElectronic supplementary information (ESI) available: Simulation protocol and additional simulation results for CPLS nanoparticles within shear flow. See DOI: 10.1039/c7cp01530eShen, Zhiqiang et al. | 2017