Spin-polarized zero-energy states in BN/C core–shell quantum dots

Boron-nitride (BN) domains in graphene or graphene domains in BN monolayer offer additional freedoms for tuning the electronic properties of these BN/C nanostructures, which is quite crucial for the applications in nanoscale devices. Based on first-principles calculations combined with a simple Hubbard model, we show that the electron zero-energy states (ZESs) of BN/graphene core–shell quantum dots (QDs) in triangular shapes can be well tuned by varying the size and topology of each domain. The net spin of the systems is dominated by the graphene segment which can be described by a Lieb?s theorem. We also demonstrated that a π-electron Hubbard model within a mean-field approximation is implementable in dealing with the electron spin-polarization of BN/C hetero-structured graphene-like materials. This provides an efficient theoretical approach for the BN/C systems where electron spin-polarization is involved.     

Significant photoelectrical response of epitaxial graphene grown on Si-terminated 6H-SiC

Photoelectrical response characteristics of epitaxial graphene (EG) films on Si- and C-terminated 6H-SiC, and transferred chemical vapor deposition (CVD) graphene films on Si-terminated 6H-SiC have been investigated. The results show that upon illumination by a xenon lamp, the photocurrent of EG grown on Si-terminated SiC significantly increases by 147.6%, while the photocurrents of EG grown on C-terminated SiC, and transferred CVD graphene on Si-terminated SiC slightly decrease by 0.5% and 2.7%, respectively. The interfacial buffer layer between EG and Si-terminated 6H-SiC is responsible for the significant photoelectrical response of EG. Its strong photoelectrical response makes it promising for optoelectronic applications.     

Topological and fractal properties of turbulent passive scalar fluctuations at small scales

Corrections of Batchelor's spectral law –1 of passive scalar-fluctuations are obtained by taking into account the topological instabilities of small-scale vortex sheets: –4/3 for supercritical and –5/4 for subcritical regimes. The corresponding fractal dimensions of the scalar interface areD =8/3 for supercritical andD =11/4 for subcritical regimes. Good agreement with experimental data is established.     

非近邻跳跃对扶手椅型石墨烯纳米带电子结构的影响

根据π电子的紧束缚模型,将电子的次近邻和第三近邻跳跃能考虑在内,得到扶手椅型石墨烯纳米带（AGRNs）能带结构的解析解.讨论了由次近邻和第三近邻电子跳跃引起的能带和能隙变化,发现次近邻和第三近邻跳跃分别对带隙产生增大和减小的影响. 比较了边界弛豫与非近邻跳跃之间的互相竞争关系. 当纳米带的宽度n为奇数时,二维石墨面的紧束缚模型中所固有的van Hove奇异性表现为AGRNs中的无色散带. 当AGRNs宽度增加时,能谱趋向于二维石墨烯时的能谱结构. 关键词： 扶手椅型石墨烯纳米带 非近邻跳跃 边界弛豫 电子结构     

Analytical study of surface states caused by the edge decoration

Analytical studies of the effect of edge decoration on the energy spectrum of semi-infinite one-dimensional (1D) model and zigzag edged graphene (ZEG) are presented by means of transfer matrix method, in the frame of which the conditions for the existence of edge states are determined. For 1D model, the zero-energy surface state occurs regardless of whether the decorations exist or not, while the non-zero-energy surface states can be induced and manipulated through adjusting the edge decoration. On the other hand, the case for the semi-infinite ZEG model with nearest-neighbour interaction is discussed in the analogous way. The non-zero-energy surface states can be induced by the edge decoration and moreover, the ratio between the edge hopping and the bulk hopping amplitudes should be within a certain threshold.     

金属原子修饰石墨烯体系催化性能的理论研究

采用基于密度泛函理论的第一性原理方法研究了单个CO 和O2气体分子在金属原子修饰石墨烯表面的吸附和反应过程. 结果表明: 空位缺陷结构的石墨烯能够提高金属原子的稳定性, 金属原子掺杂的石墨烯体系能够调控气体分子的吸附特性. 通入混合的CO和O2作为反应气体, 石墨烯表面容易被吸附性更强的O2分子占据, 进而防止催化剂的CO 中毒. 此外, 对比分析两种催化机理(Langmuir-Hinshelwood和Eley-Rideal)对CO氧化反应的影响. 与其它金属原子相比, Al原子掺杂的石墨烯体系具有极低的反应势垒(< 0.4 eV), 更有助于CO氧化反应的迅速进行.     

A new analytical device incorporating a nitrogen doped lanthanum metal oxide with reduced graphene oxide sheets for paracetamol sensing

The novel N-CeO₂ nanoparticles decorated on reduced graphene oxide (N-CeO₂@rGO) composite has been synthesized by sonochemical method. The characterization of as prepared nanocomposite was intensely performed by UV–Vis, FT-IR, EDX, FE-SEM, HR-TEM, XRD, and TGA analysis. The synthesized nanomaterial was further investigated for its selective and sensitive sensing of paracetamol (PM) based on a N-CeO₂@rGO modified glassy carbon electrode. A distinct and improved reversible redox peak of PM is obtained at N-CeO₂@rGO nanocomposite compared to the electrodes modified with N-CeO₂ and rGO. It displays a very good performance with a wide linear range of 0.05–0.600 μM, a very low detection limit of 0.0098 μM (S/N = 3), a high sensitivity of 268 μA µM⁻¹ cm⁻² and short response time (<3 s). Also, the fabricated sensor shows a good sensibleness for the detection of PM in various tablet samples.     

Selective Etching of N‐Doped Graphene Meshes as Metal‐Free Catalyst with Tunable Kinetics,High Activity and the Origin of New Catalytic Behaviors

New N‐doped reduced graphene oxide (N‐RGO) meshes are facile fabricated by selective etching of 3–5 nm nanopores, with controllable doping of N dopants at an ultrahigh N/C ratio up to 15.6 at%, from pristine graphene oxide sheets in one‐pot hydrothermal reaction. The N‐RGO meshes are illustrated to be an efficient metal‐free catalyst toward hydrogenation of 4‐nitrophenol, with new catalytic behaviors emerging in following three aspects: (i) tunable kinetics following pseudofirst order from commonly observed pseudozero order; (ii) strikingly improved activity with 26‐fold increased rate constant (1.0 s⁻¹ g⁻¹ L); (iii) no induction time required prior to reaction due to depressed back conversion, and dramatically decreased apparent activation energy (E_a) (17 kJ mol⁻¹). The origin of these new catalytic properties can be assigned to the synergetic effects between graphitic N doping and structural defects arising from nanopores. Deeper understanding unveils that the concentration of graphitic N is inverse proportion to E_a, while the pyrrolic N has no impact on this reaction, and oxygenate groups hampers it. The porous nature allows the N‐RGO meshes to conduct catalyze reactions in continuous flow fashion.     

Transport in graphene nanostructures

Graphene nanostructures are promising candidates for future nanoelectronics and solid-state quantum information technology. In this review we provide an overview of a number of electron transport experiments on etched graphene nanostructures. We briefly revisit the electronic properties and the transport characteristics of bulk, i.e., two-dimensional graphene. The fabrication techniques for making graphene nanostructures such as nanoribbons, single electron transistors and quantum dots, mainly based on a dry etching ??paper-cutting?? technique are discussed in detail. The limitations of the current fabrication technology are discussed when we outline the quantum transport properties of the nanostructured devices. In particular we focus here on transport through graphene nanoribbons and constrictions, single electron transistors as well as on graphene quantum dots including double quantum dots. These quasi-one-dimensional (nanoribbons) and quasi-zero-dimensional (quantum dots) graphene nanostructures show a clear route of how to overcome the gapless nature of graphene allowing the confinement of individual carriers and their control by lateral graphene gates and charge detectors. In particular, we emphasize that graphene quantum dots and double quantum dots are very promising systems for spin-based solid state quantum computation, since they are believed to have exceptionally long spin coherence times due to weak spin-orbit coupling and weak hyperfine interaction in graphene.