Using a density functional theory based electronic structure method and semi-local density approximation, we study the interplay of geometric confinement, magnetism and external electric fields on the electronic structure and the resulting band gaps of multilayer graphene ribbons whose edges are saturated with molecular hydrogen (H$_2$) or hydroxyl (OH) groups. We discuss the similarities and differences of computed features in comparison with the atomic hydrogen (or H-) saturated ribbons and flakes. For H$_2$ edge-saturation, we find \emph{shifted} labeling of three armchair ribbon classes and magnetic to non-magnetic transition in narrow zigzag ribbons whose critical width changes with the number of layers. Other computed characteristics, such as the existence of a critical gap and external electric field behavior, layer dependent electronic structure, stacking-dependent band gap induction and the length confinement effects remain qualitatively same with those of H-saturated ribbons.
We investigate the formation of edge states in graphene ribbons and flakes with proximity induced valley-Zeeman and Rashba spin-orbit couplings in the presence of a perpendicular magnetic field $B$. Two types of edges states appear in the spin-orbit gap at the Fermi level at zero field: strongly localized pseudohelical (intervalley) states and weakly localized intravalley states. We show that if the magnetic field is stronger than a crossover field $B_c$, which is a few mT for realistic systems such as graphene/WSe$_2$, only the pseudohelical edge states remain in zigzag graphene ribbons; the …
Ag nanorod arrays/dielectrics/mirror-structured multilayer thin-film are well known, highly sensitive surface-enhanced Raman scattering (SERS) substrates that enhance the Raman scattering cross-section by the interference of light. However, extracting biomarkers directly from human skin using these solid substrates is difficult. To overcome this problem, we propose a multilayer thin-film flake dispersion gel by centrifugal mixing of the multilayer thin-film and hydroxyethyl cellulose (HEC) gel. The multilayer thin-film was prepared by serial bideposition using the dynamic oblique angle deposit…
Layered semiconductors, such as MoS2, have attracted interest as channel materials for post-silicon and beyond-CMOS electronics. Much attention has been devoted to the monolayer limit, but the monolayer channel is not necessarily advantageous in terms of the performance of field-effect transistors (FETs). Therefore, it is important to investigate the characteristics of FETs that have multilayer channels. Here, we report the staircase-like transfer characteristics of FETs with exfoliated multilayer MoS2 flakes. Atomic force microscope characterizations reveal that the presence of thinner terrac…
Controlling acoustic phonons, the carriers of sound and heat, has been attracting great attention toward the manipulation of sonic and thermal properties in nanometric devices. In particular, the photo-acoustic effect using ultrafast optical pulses has a promising potential to optically manipulate phonons in picoseconds time regime. However, its mechanism has been so far mostly based on the commonplace thermoelastic expansion in isotropic media, limiting the spectrum of potential applications. We investigate a conceptually new mechanism of photo-acoustic effect involving the structural instabi…
Raman spectroscopic characterization of stacking configuration and interlayer coupling of twisted multilayer graphene grown by chemical vapor deposition
Hexagonal Boron Nitride (hBN) mono and multilayers are promising hosts for room temperature single photon emitters (SPEs). In this work we explore high energy (~ MeV) electron irradiation as a means to generate stable SPEs in hBN. We investigate four types of exfoliated hBN flakes - namely, high purity multilayers, isotopically pure hBN, carbon rich hBN multilayers and monolayered material - and find that electron irradiation increases emitter concentrations dramatically in all samples. Furthermore, the engineered emitters are located throughout hBN flakes (not only at flake edges or grain bou…
Graphene-water interaction has been under scrutiny ever since graphene discovery and realization of its exceptional properties. Several computational and experimental reports exist that have tried to look into the interactions involved, however, none of them addresses the issue in its entirety. We have tested the inherent hydrophobic behavior of a small graphene in water droplet by the means of MD simulations. The analysis has been extended to multiple graphene flakes in water and their respective size dependent responses to water droplet. Graphene retreats from water droplet to encapsulate it…
The crystallographic stacking order in multilayer graphene plays an important role in determining its electronic properties. It has been predicted that a rhombohedral (ABC) stacking displays a conducting surface state with flat electronic dispersion. In such a flat band, the role of electron-electron correlation is enhanced possibly resulting in high Tc superconductivity, charge density wave or magnetic orders. Clean experimental band structure measurements of ABC stacked specimens are missing because the samples are usually too small in size. Here, we directly image the band structure of larg…
Hexagonal boron nitride (h-BN) has long been recognized as an ideal substrate for electronic devices due to its dangling-bond-free surface, insulating nature and thermal/chemical stability. Therefore, to analyse the lattice structure and orientation of h-BN crystals becomes important. Here, the stacking order and wrinkles of h-BN are investigated by transmission electron microscopy (TEM). It is experimentally confirmed that the layers in the h-BN flakes are arranged in the AA' stacking. The wrinkles in a form of threefold network throughout the h-BN crystal are oriented along the armchair dire…
We fabricate ion-gated field-effect transistors (iFET) on mechanically exfoliated multilayer MoS$_2$. We encapsulate the flake by Al$_2$O$_3$, leaving the device channel exposed at the edges only. A stable Li$^+$ intercalation in the MoS$_2$ lattice is induced by gating the samples with a Li-based polymeric electrolyte above $\sim$ 330 K and the doping state is fixed by quenching the device to $\sim$ 300 K. This intercalation process induces the emergence of anomalies in the temperature dependence of the sheet resistance and its first derivative, which are typically associated with structural/…
The discovery of superconductivity and correlated electronic states in the flat bands of twisted bilayer graphene has raised a lot of excitement. Flat bands also occur in multilayer graphene flakes that present rhombohedral (ABC) stacking order on many consecutive layers. Although Bernal-stacked (AB) graphene is more stable, long-range ABC-ordered flakes involving up to 50 layers have been surprisingly observed in natural samples. Here we present a microscopic atomistic model, based on first-principles density functional theory calculations, that demonstrates how shear stress can produce long-…
Electronic states in finite graphene nanoribbons: Effect of charging and defects
利用密度泛函理论和哈伯德模型研究了有限长扶手椅型石墨烯纳米带的电子结构，重点研究了锯齿形末端的局域态.我们发现，端部局域态之间的能隙是敏感的掺杂，并在掺杂系统中，端部局域态之间的间隙呈指数下降的函数的带状长度。掺杂还淬灭了端部局域态之间的反铁磁耦合，导致中性带中的自旋分裂间隙。通过比较使用多体哈伯德模型、其平均场近似和密度泛函理论计算的dI/dV图，我们表明使用单粒子描述对于石墨烯π态是合理的。此外，我们还研究了带中的结构缺陷对其电子结构的影响。在一个带终端的缺陷不显着修改本地化的完整端的电子状态。这为解释最近的扫描隧道光谱（STS）实验中由非弹性隧道过程产生的多峰结构提供了进一步的证据[J. van der Lit等人，自然通讯，in press（2013）]。最后，我们表明，氢终止在薄片边缘留下可识别的指纹的STS测量的正偏置侧，从而可能有助于实验鉴定的石墨烯结构。
Enhancing the Plasmonic Hotspot Density via Structural Engineering of Multi-layered MoO3-Ag-Au Systems Under Extreme Electronic Excitation Conditions for Ultra-Sensitive SERS Applications
Operando imaging of intercalation memory in MXenes
Ludwig-Maximilians-Universität München（慕尼黑大学）；Drexel University（德雷塞尔大学）；University of North Texas（北德克萨斯大学）；ESRF, The European Synchrotron（欧洲同步辐射光源）；Universitat Politècnica de Catalunya (UPC)（加泰罗尼亚理工大学）
When a crystal becomes thinner and thinner to the atomic level, peculiar phenomena discretely depending on its layer-numbers (n) start to appear. The symmetry and wave functions strongly reflect the layer-numbers and stacking order, which brings us a potential of realizing new properties and functions that are unexpected in either bulk or simple monolayer. Multilayer WTe2 is one such example exhibiting unique ferroelectricity and non-linear transport properties related to the antiphase stacking and Berry-curvature dipole. Here we investigate the electronic band dispersions of multilayer WTe2 (…
The resistivity of different films and structures containing fluorinated graphene (FG) flakes and chemical vapor deposition (CVD) grown graphene of various fluorination degrees under tensile and compressive strains due to bending deformations was studied. Graphene and multilayer graphene films grown by means of the CVD method were transferred onto the flexible substrate by laminating and were subjected to fluorination. They demonstrated a weak fluorination degree (F/C lower 20%). Compressive strains led to a strong (one-two orders of magnitude) decrease in the resistivity in both cases, which …
The dry release transfer of two-dimensional (2D) materials such as graphene, h-BN, and TMDs is a versatile method for fabricating high-quality van der Waals heterostructures. Up until now, polydimethylpolysiloxane (PDMS) sheets have been widely used for the dry release transfer of TMD materials. However, this method has been known to have limitations that make it difficult to transfer few-layer-thick graphene and h-BN because of the difficulty to fabricate these materials on PDMS. As an alternative method, we demonstrate the dry release transfer of single- and bi-layer graphene and few-layer h…
