arXiv subjects

Y. W. Sun

Publications and source records attributed to Y. W. Sun.

7 recordsLinked to original sources

arXiv2021

Graphene on silicon: effects of the silicon surface orientation on the work function and carrier density of graphene

Density functional theory has been employed to study graphene on the (111), (100) and (110) surfaces of silicon (Si) substrates. There are several interesting findings. First, carbon atoms in graphene form covalent bonds with Si atoms, when placed close enough on Si (111) and (100) surfaces, but not on the (110) surface. The presence of a Si (111) surface shifts the Fermi level of graphene into its conduction band, resulting in an increase of the work function by 0.29 eV and of the electron density by three orders of magnitude. The carrier density of graphene can also be increased by eighty times on a Si (100) substrate without doping, due to the modification of the density of states near the Dirac point. No interfacial covalent bond can be formed on Si (110). These striking effects that different orientations of a silicon substrate can have on the properties of graphene are related to the surface density of the silicon surface. Applying the results to a real device of a specific orientation requires further consideration of surface reconstructions, lattice mismatch, temperature, and environmental effects.

cond-mat.mtrl-sci↗

arXiv2019

3D strain in 2D materials: Experimental test in unsupported monolayer graphene under pressure

Previous Raman measurements on supported graphene under high pressure reported a very different shift rate of in-plane phonon frequency of graphene (16 cm$^{-1}$GPa$^{-1}$) from graphite (4.7 cm$^{-1}$GPa$^{-1}$), implying very different in-plane anharmonicity that graphene gets stiffer than graphite in-plane under the same pressure. It was suggested that it could be due to the adhesion of graphene to substrates. We have therefore performed high pressure Raman measurements on unsupported graphene and we find a similar in-plane stiffness and anharmonicity of graphene (5.4 cm$^{-1}$GPa$^{-1}$) to graphite. On the other hand, the out-of-plane stiffness of graphene is hard to define, due to the 2D nature of graphene. However, we estimate a similar out-of-plane stiffness of graphene (1.4$\pm$295 GPa) to that of graphite (38.7$\pm$7 GPa), by measuring its effect on the shift of the in-plane phonon frequency with pressure.

cond-mat.mtrl-sci↗

arXiv2018

The Effect of Humidity on the Interlayer Interaction of Bi-layer Graphene

The lubricating ability of graphite largely depends on the environmental humidity, essentially the amount of water in between its layers. In general, intercalated molecules in layered materials modify their extraordinary properties by interacting with the layers. To understand the interaction of intercalated water molecules with graphene layers, we performed Raman measurements on bi-layer graphene at various humidity levels and observed an additional peak close to that of the low-frequency layer breathing mode between two graphene layers. The additional peak is attributed to the vibration between an intercalated water layer and the graphene layers. We further propose that the monolayer coverage of water increases between bilayer graphene with increasing environmental humidity while the interaction between the water layer and graphene layers remains approximately unchanged, until too much water is intercalated to keep the monolayer structure, at just over 50\% relative humidity. Notably, the results suggest that unexpectedly humidity could be an important factor affecting the properties of layered materials, as it significantly modifies the interlayer interaction.

cond-mat.mtrl-sci↗

arXiv2017

Graphite Under Compression: Shift of Layer Breathing and Shear Modes Frequencies with Interlayer Spacing

Layered materials have huge potential in various applications due to their extraordinary properties. To determine the interlayer interaction (or equivalently the layer spacing under different perturbations) is of critical importance. In this letter, we focus on one of the most prominent layered materials, graphite, and theoretically quantify the relationship between its interlayer spacing and the vibrational frequencies of its layer breathing and shear modes, which are measures of the interlayer interaction. The method used here to determine the interlayer interaction can be further applied to other layered materials.

cond-mat.mtrl-sci↗

arXiv2015

Graphite under uniaxial compression along c-axis: a new parameter relates out-of-plane strain to in-plane phonon frequency

Stacking graphene sheets forms graphite. Two in-plane vibrational modes of graphite, E1u and E2g(2), are derived from graphene E2g mode, the shifts of which under compression are all considered as results of in-plane bond shortening. Values of Gruneisen parameter have been reported to quantify such relation. However, the reason why the shift rates of these three modes with pressure differ is unclear. In this work, we introduce a new parameter to quantify the contribution of out-of-plane strain to the in-plane vibrational frequencies, suggesting that the compression of π-electrons plays a non-negligible part in both graphite and graphene under high pressure.

cond-mat.mes-hall↗

arXiv2015

The Significance of Bundling Effects on Carbon Nanotubes' Response to Hydrostatic Compression

The study of the G-mode pressure coefficients of carbon nanotubes, reflecting the stiff sp2 bond pressure dependence, is essential to the understanding of their extraordinary mechanical properties as well as fundamental mechanics. However, it is hindered by the availability of carbon nanotubes samples only as bundles or isolated with surfactants. Octadecylamine functionalized carbon nanotubes are mostly of a single diameter and can be stably dispersed in 1, 2-dichloroethane and chloroform without surfactants. Here we perform high pressure Raman spectroscopy on these tubes and obtain their experimental G-mode pressure coefficients for individual tubes and bundles. The G-plus pressure coefficient for bundles is only about half of that for individual tubes in 1, 2-dichloroethane and is about two-thirds in chloroform. The G-minus pressure coefficient for bundles is about one-third of G-plus in 1, 2-dichloroethane and about the same in chloroform. These results for the first time provide unambiguous experimental evidence of the significant effect of bundling on carbon nanotubes' G-mode pressure coefficients, identifying it as one of the major reasons for the lack of consensus on what the values should be in the literature.

cond-mat.mtrl-sci↗

arXiv2012

Pressure coefficients of Raman modes of carbon nanotubes resolved by chirality: Environmental effect on graphene sheet

Studies of the mechanical properties of single-walled carbon nanotubes are hindered by the availability only of ensembles of tubes with a range of diameters. Tunable Raman excitation spectroscopy picks out identifiable tubes. Under high pressure, the radial breathing mode shows a strong environmental effect shown here to be largely independent of the nature of the environment . For the G-mode, the pressure coefficient varies with diameter consistent with the thick-wall tube model. However, results show an unexpectedly strong environmental effect on the pressure coefficients. Reappraisal of data for graphene and graphite gives the G-mode Grueuneisen parameter gamma = 1.34 and the shear deformation parameter beta = 1.34.

cond-mat.mes-hall↗