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Showing results 61 to 80 of 152
 Influence of the environment on the optical and vibrational properties of 2D materials: graphene, BN and MoS2Wirtz, Ludger  Presentation (2013, February 07) Detailed reference viewed: 196 (1 UL)Influence on the environment on the optical and vibrational properties of 2D materials: graphene, BN, and MoS2Wirtz, Ludger Scientific Conference (2013) Detailed reference viewed: 141 (2 UL)  Towards an ab initio description of the charge transfer between a proton and a lithium fluoride surface: A quantum chemistry approach; ; et al in Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms (2013), 317, Part A We study the non-adiabatic charge transfer dynamics during the collision of a slow proton with a lithium fluoride surface employing a quantum-chemistry based dynamics approach. The surface is modeled by ... [more ▼] We study the non-adiabatic charge transfer dynamics during the collision of a slow proton with a lithium fluoride surface employing a quantum-chemistry based dynamics approach. The surface is modeled by an Li5F1+ H+ cluster embedded in a large matrix of point charges. Going beyond the adiabatic (or Born–Oppenheimer) approximation, we apply multi-reference configuration-interaction methods that allow for the calculation of ground and excited states of the embedded cluster as well as of the non-adiabatic couplings between them. This information serves as input for the determination of the neutralization probability of a proton scattered off a LiF surface using Tully’s semi-classical surface hopping algorithm. [less ▲] Detailed reference viewed: 218 (2 UL) Dielectric screening of the Kohn anomaly of graphene on hexagonal boron nitride; Molina-Sanchez, Alejandro ; et alin Physical Review. B, Condensed Matter and Materials Physics (2013), 88 Detailed reference viewed: 299 (8 UL)Contribution of the buffer layer to the Raman spectrum of epitaxial graphene on SiC(0001); ; Molina-Sanchez, Alejandro et alin New Journal of Physics (2013), 15(4), 043031 We report a Raman study of the so-called buffer layer with $(6 3 6 3)R30^ $ periodicity which forms the intrinsic interface structure between epitaxial graphene and SiC(0001). We show that this interface ... [more ▼] We report a Raman study of the so-called buffer layer with $(6 3 6 3)R30^ $ periodicity which forms the intrinsic interface structure between epitaxial graphene and SiC(0001). We show that this interface structure leads to a non-vanishing signal in the Raman spectrum at frequencies in the range of the D- and G-band of graphene and discuss its shape and intensity. Ab initio phonon calculations reveal that these features can be attributed to the vibrational density of states of the buffer layer. [less ▲] Detailed reference viewed: 236 (5 UL)Manifestation of charged and strained graphene layers in the Raman response of graphite intercalation compounds.; Wirtz, Ludger ; in ACS Nano (2013), 7(10), 9249 We present detailed multifrequency resonant Raman measurements of potassium graphite intercalation compounds (GICs). From a well-controlled and consecutive in situ intercalation and high-temperature ... [more ▼] We present detailed multifrequency resonant Raman measurements of potassium graphite intercalation compounds (GICs). From a well-controlled and consecutive in situ intercalation and high-temperature deintercalation approach the response of each stage up to stage VI is identified. The positions of the G and 2D lines as a function of staging depend on the charge transfer from K to the graphite layers and on the lattice expansion. Ab initio calculations of the density and the electronic band structure demonstrate that most (but not all) of the transferred charge remains on the graphene sheets adjacent to the intercalant layers. This leads to an electronic decoupling of these "outer" layers from the ones sandwiched between carbon layers and consequently to a decoupling of the corresponding Raman spectra. Thus, higher stage GICs offer the possibility to measure the vibrations of single, double, and multilayer graphene under conditions of biaxial strain. This strain can additionally be correlated to the in-plane lattice constants of GICs determined by X-ray diffraction. The outcome of this study demonstrates that Raman spectroscopy is a very powerful tool to identify local internal strain in pristine and weakly charged single and few-layer graphene and their composites, yielding even absolute lattice constants. [less ▲] Detailed reference viewed: 284 (3 UL)Tuning the optical and vibrational properties of graphene and related materials by external parameters, a theoretical perspectiveWirtz, Ludger Scientific Conference (2013) Detailed reference viewed: 123 (5 UL)Manifestation of charged and strained graphene layers in the Raman response of graphite intercalation compoundsWirtz, Ludger ; ; Scientific Conference (2013) Detailed reference viewed: 168 (2 UL)Graphene and graphite intercalation compounds: dependence of the phonon dispersion on the environmentWirtz, Ludger Scientific Conference (2013) Detailed reference viewed: 210 (3 UL)Ab initio Study of the Excitonic Effects on the Optical Spectra of Single-layer, Double-layer, and Bulk MoS2Molina-Sanchez, Alejandro ; Wirtz, Ludger ; et alScientific Conference (2013) Detailed reference viewed: 403 (4 UL)Optical properties of few-layers and bulk MoS2Molina-Sanchez, Alejandro ; Wirtz, Ludger Scientific Conference (2013) Detailed reference viewed: 201 (3 UL)Effect of spin-orbit interaction on the excitonic effects in single-layer, double-layer, and bulk MoS2Molina-Sanchez, Alejandro ; Wirtz, Ludger Scientific Conference (2013) Detailed reference viewed: 128 (3 UL)Excitons in transition metal dichalcogenides. A theoretical approachMolina-Sanchez, Alejandro ; Wirtz, Ludger Scientific Conference (2013) Detailed reference viewed: 158 (2 UL)Optical and vibrational properties of M0S2Wirtz, Ludger Presentation (2012, November 26) Detailed reference viewed: 157 (2 UL)Light emitting source and method for emitting light based on boron nitride nanotubes; ; Wirtz, Ludger Patent (2012) The invention relates to a controllable frequency, broad spectrum light emitting source that includes boron nitride nanotubes with defects produced by the absence of a boron atom in the tubular structure ... [more ▼] The invention relates to a controllable frequency, broad spectrum light emitting source that includes boron nitride nanotubes with defects produced by the absence of a boron atom in the tubular structure and wherein the source is additionally provided with a means for generating an electrical field perpendicular to the tube. The invention may be used as a field effect transistor (adding electrodes) or as a source of conversion of energy of an incident bundle. [less ▲] Detailed reference viewed: 169 (4 UL)Optical and vibrational properties of layered materialsWirtz, Ludger Presentation (2012, June 13) Detailed reference viewed: 154 (4 UL)Spectroscopie expérimentale et théorique du graphène fonctionnaliséWirtz, Ludger Scientific Conference (2012) Detailed reference viewed: 92 (0 UL)Substrate dependence of the Raman 2D line of grapheneMolina-Sanchez, Alejandro ; Wirtz, Ludger Poster (2012) Detailed reference viewed: 117 (1 UL)Theoretical Spectroscopy of single-layer and few-layers MoS2Molina-Sanchez, Alejandro ; Wirtz, Ludger Scientific Conference (2012) Detailed reference viewed: 121 (1 UL)The phonon dispersion of graphene in interaction with different substratesWirtz, Ludger Scientific Conference (2012) Detailed reference viewed: 114 (2 UL) |
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