Mechanical Properties of Ni-Coated Single Graphene Sheet and Their Embedded Aluminum Matrix Composites

The effects of Ni coating on the mechanical behaviors of single graphene sheet and their embedded Al matrix composites under axial tension are investigated using molecular dynamics （MD） simulation method. The results show that the Young＇s moduli and tensile strength of graphene obviously decrease after Ni coating. The results also show that the mechanical properties of Al matrix can be obviously increased by embedding a single graphene sheet. From the simulation, we also find that the Young＇s modulus and tensile strength of the Ni-coated graphene/Al composite is obviously larger than those of the uncoated graphene/Al composite. The increased magnitude of the Young＇s modulus and tensile strength of graphene/Al composite are 52.27% and 32.32% at 0.01 K, respectively, due to Ni coating. By exploring the effects of temperature on the mechanical properties of single graphene sheet and their embedded Al matrix composites, it is found that the higher temperature leads to the lower critical strain and tensile strength.

An analytical symplectic approach to the vibration analysis of orthotropic graphene sheets

A nonlocal continuum orthotropic plate model is proposed to study the vibration behavior of single-layer graphene sheets (SLGSs) using an analytical symplectic approach. A Hamiltonian system is established by introducing a total unknown vector consisting of the displacement amplitude, rotation angle, shear force, and bending moment. The high-order governing differential equation of the vibration of SLGSs is transformed into a set of ordinary differential equations in symplectic space. Exact solutions for free vibration are obtianed by the method of separation of variables without any trial shape functions and can be expanded in series of symplectic eigenfunctions. Analytical frequency equations are derived for all six possible boundary conditions. Vibration modes are expressed in terms of the symplectic eigenfunctions. In the numerical examples, comparison is presented to verify the accuracy of the proposed method. Comprehensive numerical examples for graphene sheets with Levy-type boundary conditions are given. A parametric study of the natural frequency is also included.

Sn_(4)P_(3)nanoparticles confined in multilayer graphene sheets as a high-performance anode material for potassium-ion batteries

Phosphorus-based anodes are highly promising for potassium-ion batteries(PIBs)because of their large theoretical capacities.Nevertheless,the inferior potassium storage properties caused by the poor electronic conductivity,easy self-aggregation,and huge volumetric changes upon cycling process restrain their practical applications.Now we impregnate Sn_(4)P_(3)nanoparticles within multilayer graphene sheets(Sn_(4)P_(3)/MGS)as the anode material for PIBs,greatly improving its potassium storage performance.Specifically,the graphene sheets can efficiently suppress the aggregation of Sn_(4)P_(3)nanoparticles,enhance the electronic conductivity,and sustain the structural integrity.In addition,plenty of Sn_(4)P_(3)nanoparticles impregnated in MGS offer a large accessible area for the electrolyte,which decreases the diffusion distance for K^(+)and electrons upon K^(+)insertion/extraction,resulting in an improved rate capability.Consequently,the optimized Sn_(4)P_(3)/MGS containing 80 wt%Sn_(4)P_(3)(Sn_(4)P_(3)/MGS-80)exhibits a high reversible capacity of 378.2 and 260.2 m Ah g;at 0.1 and 1 A g^(-1),respectively,and still delivers a large capacity retention of 76.6%after the 1000th cycle at 0.5 A g^(-1).

Vibration of quadrilateral embedded multilayered graphene sheets based on nonlocal continuum models using the Galerkin method

Free vibration analysis of quadrilateral multilayered graphene sheets（MLGS） embedded in polymer matrix is carried out employing nonlocal continuum mechanics.The principle of virtual work is employed to derive the equations of motion.The Galerkin method in conjunction with the natural coordinates of the nanoplate is used as a basis for the analysis.The dependence of small scale effect on thickness,elastic modulus,polymer matrix stiffness and interaction coefficient between two adjacent sheets is illustrated.The non-dimensional natural frequencies of skew,rhombic,trapezoidal and rectangular MLGS are obtained with various geometrical parameters and mode numbers taken into account,and for each case the effects of the small length scale are investigated.

Nanoscale mass sensing based on vibration of single-layered graphene sheet in thermal environments

Based on vibration analysis, single-layered graphene sheet （SLGS） with multiple attached nanoparticles is developed as nanoscale mass sensor in thermal environments. Graphene sensors are assumed to be in simplysupported configuration. Based on the nonlocal plate the- ory which incorporates size effects into the classical theory, closed-form expressions lot the frequencies and relative fre- quency shills of SLGS-based mass sensor are derived using the Galerkin method. The suggested model is justified by a good agreement between the results given by the present model and available data in literature. The effects of tem- perature difference, nonlocal parameter, the location of the nanoparticle and the number of nanoparticles on the relative frequency shift of the mass sensor are also elucidated. The obtained results show that the sensitivity of the SLGS- based mass sensor increases with increasing temperature difference.

A comparison of the field emission characteristics of vertically aligned graphene sheets grown on different SiC substrates

The field emission （FE） properties of vertically aligned graphene sheets （VAGSs） grown on different SiC substrates are reported. The VAGSs grown on nonpolar SiC （10-10） substrate show an ordered alignment with the graphene basal plane-parallel to each other, and show better FE features, with a lower turn-on field and a larger field enhancement factor. The VAGSs grown on polar SiC （000-1 ） substrate reveal a random petaloid-shaped arrangement and stable current emission over 8 hours with a maximum emission current fluctuation of only 4%. The reasons behind the differing FE characteristics of the VAGSs on different SiC substrates are analyzed and discussed.

DFT Investigation of the Hydrogen Adsorption on Graphene and Graphene Sheet Doped with Osmium and Tungsten

Significant interest has been focused on graphene materials for their unique properties as Hydrogen storage materials. The development of their abilities by modifying their configuration with doped or decorated transition metals was also of great interest. In this work, using the DFT/B3LYP/6-31G/LanL2DZ level of theory, graphene sheet (GS) as one of the materials of interest was doped with two transition metals, Osmium (Os) and Tungsten (W). Two active sites on the GS were tested (C4 and C16) resulted into adsorbed systems, H2@C4-GS and H2@C16-GS. C16 position showed the largest adsorption energy compared to that at C4. Therefore, C4 was replaced by the two metals and two adsorbed systems were formed: H2@Os-GS and H2@W-GS. The binding energy of H2@Os-GS was found to be greater than that of H2@W-GS.

VARIATIONAL PRINCIPLES FOR NONLOCAL CONTINUUM MODEL OF ORTHOTROPIC GRAPHENE SHEETS EMBEDDED IN AN ELASTIC MEDIUM

Equations governing the vibrations and buckling of multilayered orthotropic graphene sheets can be expressed as a system of n partial differential equations where n refers to the number of sheets. This description is based on the continuum model of the graphene sheets which can also take the small scale effects into account by employing a nonlocal theory. In the present article a variational principle is derived for the nonlocal elastic theory of rectangular graphene sheets embedded in an elastic medium and undergo- ing transverse vibrations. Moreover the graphene sheets are subject to biaxial compression. Rayleigh quotients are obtained for the frequencies of freely vibrating graphene sheets and for the buckling load. The influence of small scale effects on the frequencies and the buckling load can be observed qualiatively from the expressions of the Rayleigh quotients. Elastic medium is modeled as a combination of Winkler and Pasternak foundations acting on the top and bottom layers of the mutilayered nano-structure. Natural boundary con- ditions of the problem are derived using the variational principle formulated in the study. It is observed that free boundaries lead to coupled boundary conditions due to nonlocal theory used in the continuum formulation while the local （classical） elasticity theory leads to uncoupled boundary conditions. The mathematical methods used in the study involve calculus of variations and the semi-inverse method for deriving the variational integrals.

Electron transfer from sulfate-reducing bacteria biofilm promoted by reduced graphene sheets

Reduced graphene sheets (RGSs) mediate electron transfer between sulfate-reducing bacteria (SRB) and solid electrodes, and promote the development of microbial fuel cells (MFC). We have investigated RSG-promoted electron transfer between SRB and a glassy carbon (GC) electrode. The RGSs were produced at high yield by a chemical sequence involving graphite oxidation, ultrasonic exfoliation of nanosheets, and N2H4 reduction. Cyclic voltammetric testing showed that the characteristic anodic peaks (around 0.3 V) might arise from the combination of bacterial membrane surface cytochrome c3 and the metabolic products of SRB. After 6 d, another anodic wave gradually increased to a maximum current peak and a third anodic signal became visible at around 0 V. The enhancements of two characteristic anodic peaks suggest that RSGs mediate electron-transfer kinetics between bacteria and the solid electrode. Manipulation of these recently-discovered electron-transport mechanisms will lead to significant advances in MFC engineering.

Three-Dimensional Static Analysis of Nanoplates and Graphene Sheets by Using Eringen’s Nonlocal Elasticity Theory and the Perturbation Method

A three-dimensional(3D)asymptotic theory is reformulated for the static analysis of simply-supported,isotropic and orthotropic single-layered nanoplates and graphene sheets(GSs),in which Eringen’s nonlocal elasticity theory is used to capture the small length scale effect on the static behaviors of these.The perturbation method is used to expand the 3D nonlocal elasticity problems as a series of two-dimensional(2D)nonlocal plate problems,the governing equations of which for various order problems retain the same differential operators as those of the nonlocal classical plate theory(CST),although with different nonhomogeneous terms.Expanding the primary field variables of each order as the double Fourier series functions in the in-plane directions,we can obtain the Navier solutions of the leading-order problem,and the higher-order modifications can then be determined in a hierarchic and consistent manner.Some benchmark solutions for the static analysis of isotropic and orthotropic nanoplates and GSs subjected to sinusoidally and uniformly distributed loads are given to demonstrate the performance of the 3D nonlocal asymptotic theory.

Different Charging-Induced Modulations of Highest Occupied Molecular Orbital Energies in Fullerenes in Comparison with Carbon Nanotubes and Graphene Sheets

The highest occupied molecular orbital（HOMO） energies of fullerenes are found by quantitative first-principles calculations to be raised by negative charging, and the rising rate rank of the fullerenes is C60 >C70 >C80 >C90>C100 >C180. Then we compare fullerenes with carbon nanotubes（CNTs） and graphene sheets（GSs） and find that the increase of the HOMO energy of a fullerene is much faster than that of CNTs and graphene sheets with the same number of C atoms. The rising rate rank is fullerene>CNT>GS, which holds no matter what the number of C atoms is or which structure the fullerene isomer is. This work paves a new path for developing all-carbon devices with low-dimensional carbon nanomaterials as different functional elements.

VO2·0.2H2O nanocuboids anchored onto graphene sheets as the cathode material for ultrahigh capacity aqueous zinc ion batteries

Aqueous Zinc-ion batteries(ZIBs),using zinc negative electrode and aqueous electrolyte,have attracted great attention in energy storage field due to the reliable safety and low-cost.A composite material comprised of VO2·0.2H2O nanocuboids anchored on graphene sheets(VOG)is synthesized through a facile and efficient microwave-assisted solvothermal strategy and is used as aqueous ZIBs cathode material.Owing to the synergistic effects between the high conductivity of graphene sheets and the desirable structural features of VO2·0.2H2O nanocuboids,the VOG electrode has excellent electronic and ionic transport ability,resulting in superior Zn ions storage performance.The Zn/VOG system delivers ultrahigh specific capacity of 423 mAh·g^−1 at 0.25 A·g^−1 and exhibits good cycling stability of up to 1,000 cycles at 8 A·g^−1 with 87%capacity retention.Systematical structural and elemental characterizations confirm that the interlayer space of VO2·0.2H2O nanocuboids can adapt to the reversible Zn ions insertion/extraction.The as-prepared VOG composite is a promising cathode material with remarkable electrochemical performance for low-cost and safe aqueous rechargeable ZIBs.

FeOOH quantum dots decorated graphene sheet:An efficient electrocatalyst for ambient N2 reduction

Electrochemical N2 reduction offers a promising alternative to the Haber-Bosch process for sustainable NH3 synthesis at ambient conditions,but it needs efficient catalysts for the N2 reduction reaction(NRR).Here,we report that FeOOH quantum dots decorated graphene sheet acts as a superior catalyst toward enhanced electrocatalytic N2 reduction to NH3 under ambient conditions.In 0.1 M LiClO4,this hybrid attains a large NH3 yield rate and a high Faradaic efficiency of 27.3µg·h^−1·mg−1cat.and 14.6%at−0.4 V vs.reversible hydrogen electrode,respectively,rivalling the current efficiency of all Fe-based NRR electrocatalysts in aqueous media.It also shows strong durability during the electrolytic process.

Exceeding the limit of plasmonic light trapping in textured screen-printed solar cells using Al nanoparticles and wrinkle-like graphene sheets

The solar cell market is predominantly based on textured screen-printed solar cells.Due to parasitic absorption in nanostructures,using plasmonic processes to obtain an enhancement that exceeds 2.5%of the short-circuit photocurrent density is challenging.In this paper,a 7.2%enhancement in the photocurrent density can be achieved through the integration of plasmonic Al nanoparticles and wrinkle-like graphene sheets.For the first time,we experimentally achieve Al nanoparticle-enhanced solar cells.An innovative thermal evaporation method is proposed to fabricate low-coverage Al nanoparticle arrays on solar cells.Due to the ultraviolet(UV)plasmon resonance of Al nanoparticles,the performance enhancement of the solar cells is significantly greater than that from Ag nanoparticles.Subsequently,we deposit wrinkle-like graphene sheets over the Al nanoparticle-enhanced solar cells.Compared with planar graphene sheets,the bend carbon layer also exhibits a broadband light-trapping effect.Our results exceed the limit of plasmonic light trapping in textured screen-printed silicon solar cells.

Si/C particles on graphene sheet as stable anode for lithium-ion batteries

Silicon is considered as one of the most promising anodes for Li-ion batteries(LIBs), but it is limited for commercial applications by the critical issue of large volume expansion during the lithiation. In this work, the structure of silicon/carbon(Si/C) particles on graphene sheets(Si/C–G) was obtained to solve the issue by using the void space of Si/C particles and graphene. Si/C–G material was from Si/PDA-GO that silicon particles was coated by polydopamine(PDA) and reacted with oxide graphene(GO). The Si/C–G material have good cycling performance as the stability of the structure during the lithiation/dislithiation.The Si/C–G anode materials exhibited high reversible capacity of 1910.5 mA h g^(-1) and 1196.1 mA h g^(-1) after 700 cycles at 357.9 m A g^(-1), and have good rate property of 507.2 mA h g^(-1) at high current density,showing significantly improved commercial viability of silicon electrodes in high-energy-density LIBs.

Stochastically driven vibrations of single-layered graphene sheets

Thermal vibration of single-layered graphene sheets (SLGSs) is investigated using plate model together with the law of equi-partition of energy and the molecular dynamics (MD) method based on the condensed-phase Optimized Molecular Potentials for Atomistic Simulation Studies (COMPASS) force field.The in-plane stiffness and Poisson ratio of SLGSs are calculated by stretching SLGSs.The effective thickness of SLGSs is obtained by the MD simulations for the thermal vibration of SLGSs through the natural frequency.The root-mean-squared (RMS) amplitudes for SLGSs of differing temperatures and boundary conditions are calculated by the MD,and are compared with the results calculated by the thin plate model together with the law of equi-partition of energy.At the center of SLGSs,the thin plate theory can predict the MD results reasonably well.For the difference of bonding structure of the edge atoms,the deviation between the MD results and plate theory becomes more readily apparent near the edges of SLGSs.

Chemical Self-Assembly of Graphene Sheets

Chemically derived and noncovalently functionalized graphene sheets(GS)were found to self-assemble onto patterned gold structures via electrostatic interactions between the functional groups and the gold surfaces.This afforded regular arrays of single graphene sheets on large substrates,which were characterized by scanning electron microscopy(SEM),Auger microscopy imaging,and Raman spectroscopy.This represents the fi rst time that self-assembly has been used to produce on-substrate and fully-suspended graphene electrical devices.Molecular coatings on the GS were removed by high current“electrical annealing”,which restored the high electrical conductance and Dirac point of the GS.Molecular sensors for highly sensitive gas detection using the self-assembled GS devices are demonstrated.

Electrochemical synthesis of sulfur-doped graphene sheets for highly efficient oxygen reduction

Sulfur(S)-doped graphene sheets were prepared by a facile electrochemical method, which effectively combined exfoliation of graphite and in situ S doping of graphene together. The metal-free S-doped graphene sheets exhibit high electrocatalytic activity, long-term stability, and excellent tolerance to cross-over effects of methanol in alkaline media for the oxygen reduction reaction(ORR), indicating that these S-doped graphene sheets possess great potential for a substitute for Pt-based catalysts in fuel cells.

Electrochemical Study and Application on Shikonin at Poly（diallyldimethylammonium chloride） Functionalized Graphene Sheets Modified Glass Carbon Electrode

The electrochemical behaviors of shikonin at a poly（diallyldimethylammonium chloride） functionalized graphene sheets modified glass carbon electrode（PDDA-GS/GCE） have been investigated. Shikonin could exhibit a pair of well-defined redox peaks at the PDDA-GS/GCE located at 0.681 V（Epa） and 0.662 V（Epc）[vs. saturated calo- mel electrode（SCE）] in 0.1 mol/L phosphate buffer solution（pH=2.0） with a peak-to-peak separation of about 20 mV, revealing a fast electron-transfer process. Moreover, the current response was remarkably increased at PDDA- GS/GCE compared with that at the bare GCE. The electrochemical behaviors of shikonin at the modified electrode were investigated. And the results indicate that the reaction involves the transfer of two electrons, accompanied by two protons and the electrochemical process is a diffusional-controlled electrode process. The electrochemical para- meters of shikonin at the modified electrode, the electron-transfer coefficient（a）, the electron-transfer number（n） and the electrode reaction rate constant（ks） were calculated to be as 0.53, 2.18 and 3.6 s^-1, respectively. Under the optimal conditions, the peak current of differential pulse voltammetry（DPV） increased linearly with the shikonin concentra- tion in a range from 9A72×10^-8 mol/L to 3,789×10^-6 mol/L with a detection limit of 3,157× 10^-8 mol/L. The linear regression equation was Ip=O.7366c＋0.7855（R=0.9978; lp： 10-7 A, c： 10-8 mol/L）. In addition, the modified glass carbon electrode also exhibited good stability, selectivity and acceptable reproducibility that could be used for the sensitive, simple and rapid determination of shikonin in real samples. Therefore, the present work offers a new way to broaden the analytical application of graphene in pharmaceutical analysis.

Multi-solitons of Thermophoretic Motion Equation Depicting the Wrinkle Propagation in Substrate-Supported Graphene Sheets

The paper addresses the thermophoretic motion(TM) equation, which is serviced to describe soliton-like thermophoresis of wrinkles in graphene sheet based on Korteweg-de Vries(KdV) equation. The generalized uni?ed method is capitalized to construct wrinkle-like multiple soliton solutions. Graphical analysis of one, two, and threesoliton solutions is carried out to depict certain properties like width, amplitude, shape, and open direction are adjustable through various parameters.