Graphene Interface Research Articles

Physical Adsorption and Glass Transition of Thin Polystyrene Films at a Graphene Interface

Physical Adsorption and Glass Transition of Thin Polystyrene Films at a Graphene Interface

Strain-modulated intercalated phases of Pb monolayer with dual periodicity in SiC(0001)-graphene interface

Intercalation of metal atoms at the SiC(0001)-graphene (Gr) interface can provide confined 2D metal layers with interesting electronic properties. The intercalated Pb monolayer (ML) has shown the coexistence of the Gr(10 × 10)-moiré and a stripe phase, which still lacks understanding. Using density functional theory calculation and thermal annealing with ab initio molecular dynamics as motivated by experiment, we have studied the formation energy of Gr/Pb/SiC(0001) for different Pb coverages. Near the coverage of a Pb(111)-like ML mimicking the (10 × 10)-moiré, we find a slightly more stable stripe structure, where one half of the structure has compressive strain with Pb occupying the Si-top sites and the other half has tensile strain with Pb off the Si-top sites. This stripe structure along the Gr zigzag direction has a periodicity of 2.3 nm across the [1 2¯ 10] direction agreeing with the previous observations using scanning tunneling microscopy. Analysis with electron density difference and density of states show the tensile region has a more metallic character than the compressive region, while both are dominated by charge transfer from Pb ML to SiC(0001). The small energy difference between the stripe and Pb(111)-like structures means the two phases are almost degenerate and can coexist, which explains the experimental observations.

Enhancement of photovoltaic parameters of thermally stable graphene/LaVO3 semitransparent solar cell by employing interfacial graphene quantum dots

Semitransparent solar cells are attracting attention not only for their visual effects but also for their ability to effectively utilize solar energy. Here, we demonstrate a translucent solar cell composed of bis(trifluoromethane sulfonyl)-amide (TFSA)-doped graphene (Gr), graphene quantum dots (GQDs), and LaVO3. By introducing a GQDs intermediate layer at the TFSA-Gr/LaVO3interface, we can improve efficiency by preventing carrier recombination and promoting charge collection/separation in the device. As a result, the efficiency of the GQDs-based solar cell was 4.35%, which was higher than the 3.52% of the device without GQDs. Furthermore, the average visible transmittance of the device is 28%, making it suitable for translucent solar cells. The Al reflective mirror-based system improved the power conversion efficiency by approximately 7% compared to a device without a mirror. Additionally, the thermal stability of the device remains at 90% even after 2000 h under an environment with a temperature of 60 °C and 40% relative humidity. These results suggest that TFSA-Gr/GQDs/LaVO3-based cells have a high potential for practical use as a next-generation translucent solar energy power source.

Dispersion Relation and Power Flux of Chiral Metamaterial Slab Waveguide with Graphene Interface

Dispersion Relation and Power Flux of Chiral Metamaterial Slab Waveguide with Graphene Interface

Oblique spin injection to graphene via geometry controlled magnetic nanowires

We exploit the geometry of magnetic nanowires, which define 1D contacts to an encapsulated graphene channel, to introduce an out-of-plane component in the polarisation of spin carriers. By design, the magnetic nanowires traverse the angled sides of the 2D material heterostructure. Consequently, the easy axis of the nanowires is inclined, and so the local magnetisation is oblique at the injection point. As a result, when performing non-local spin valve measurements we simultaneously observe both switching and spin precession phenomena, implying the spin population possesses both in-plane and out-of-plane polarisation components. By comparing the relative magnitudes of these components, we quantify the angle of the total spin polarisation vector. The extracted angle is consistent with the angle of the nanowire at the graphene interface, evidencing that the effect is a consequence of the device geometry. This simple method of spin-based vector magnetometry provides an alternative technique to define the spin polarisation in 2D spintronic devices.

Observation of Chirality Transfer in Twisted Few-Layer Graphene.

Chiral materials are the focus of research in a variety of fields such as chiroptical sensing, biosensing, catalysis, and spintronics. Twisted two-dimensional (2D) materials are rapidly developing into a class of atomically thin chiral materials that can be effectively modulated through interlayer twist. However, chirality transfer in chiral 2D materials has not been reported. Here, we show that the chirality from the twist interface of graphene can directly transfer to achiral few-layer graphene and lead to a strong chiroptical response probed with circularly polarized Raman spectroscopy. Distinct Raman optical activity (ROA) for the interlayer shear modes in achiral few-layer graphene is observed, with the degree of polarization reaching as high as 0.5. These findings demonstrate the programmability of chiroptical response through stacking and twist engineering in 2D materials and offer insights into the transfer of chirality in atomically thin chiral materials for optical and electronic applications.

Surface Plasmon Resonance Sensing at the Interface of Doppler Broadening Dielectric Medium and Graphene

Surface Plasmon Resonance Sensing at the Interface of Doppler Broadening Dielectric Medium and Graphene

Modes of Nanodroplet Formation and Growth on an Ultrathin Water Film.

Using nanobubbles as geometrical confinements, we create a thin water film (∼10 nm) in a graphene liquid cell and investigate the evolution of its instability at the nanoscale under transmission electron microscopy. The breakdown of the water films, resulting in the subsequent formation and growth of nanodroplets, is visualized and generalized into different modes. We identified distinct droplet formation and growth modes by analyzing the dynamic processes involving 61 droplets and 110 liquid bridges within 31 Graphene Liquid Cells (GLCs). Droplet formation is influenced by their positions in GLCs, taking on a semicircular shape at the edge and a circular shape in the middle. Growth modes include liquid mass transfer driven by Plateau-Rayleigh instability and merging processes in and out-of-plane of the graphene interface. Droplet growth can lead to the formation of liquid bridges for which we obtain multiview projections. Data analysis reveals the general dynamics of liquid bridges, including drawing liquids from neighboring residual water films, merging with surrounding droplets, and merging with other liquid bridges. Our experimental observations provide insights into fluid transport at the nanoscale.

Metastable 2D amorphous Nb2O5 for aqueous supercapacitor energy storage

Nb2O5 is a promising electrode material of energy storage due to its high specific capacity and phase transition resistance. However, the facile generation of niobic acid poses a challenge, hindering controlled growth and impeding improvements in electrical conductivity and structural stability, especially in realizing two-dimensional (2D) Nb2O5. Herein, we have discerned that the addition of hexamethylenetetramine (HMTA) in ethanol solvent facilitates the controlled and restricted growth of metastable 2D amorphous Nb2O5 (a-Nb2O5) within graphene domains. Nitrogen atoms within HMTA, rich in lone pair electrons, strongly interact with niobium ions, promoting 2D amorphous growth on graphene interface. This unique 2D amorphous interface offers high surface area, enhanced electron mobility, rapid ion transport, and superior structural stability compared to crystalline counterparts. The prepared metastable 2D a-Nb2O5/rGO electrode exhibits unprecedented cycle life in aqueous asymmetric supercapacitor. This confined growth strategy offers a novel approach for the innovative design of metastable 2D materials.

Effect of Hyperthermal Hybrid Gas Composition on the Interfacial Oxidation and Nitridation Mechanisms of Graphene Sheet.

Graphene is one of the most promising thermal protection materials for high-speed aircraft due to its lightweight and excellent thermophysical properties. At high Mach numbers, the extremely high postshock temperature would dissociate the surrounding air into a mixture of atomic and molecular components in a highly thermochemical nonequilibrium state, which greatly affects the subsequent thermal chemical reactions of the graphene interface. Through establishing a reactive gas-solid interface model, the reactive molecular dynamics method is employed in this study to reveal the influences of the thermochemical nonequilibrium gas mixture on the thermal oxidation and nitridation mechanisms of graphene sheet. The results show that three distinctive stages can be recognized during bombardment of various nonequilibrium gas components toward the graphene sheet: (i) collision and surface adsorption stage, (ii) gas-solid heterogeneous reaction stage, and (iii) gas phase homogeneous reaction stage. The surface catalysis effect is found to be dominant during the first two stages, which can influence the following ablation behavior of graphene significantly at high-temperature conditions. Moreover, surface catalysis, oxidation, nitridation, and ablation mechanisms between nonequilibrium gas and graphene interface are revealed, which is of high relevance for future interfacial design and application of graphene as a thermal protection material.

Rapid Silicification of a DNA Origami with Shape Fidelity.

High-fidelity patterning of DNA origami nanostructures on various interfaces holds great potential for nanoelectronics and nanophotonics. However, distortion of a DNA origami often occurs due to the strong interface interactions, e.g., on two-dimensional (2D) materials. In this study, we discovered that the adsorption of silica precursors in rapid silicification can prevent the distortion caused by graphene and generates a high shape-fidelity DNA origami-silica composite on a graphene interface. We found that an incubation time of 1 min and silicification time of 16 h resulted in the formation of DNA origami-silica composites with the highest shape fidelity of 99%. By comparing the distortion of the DNA origami on the graphene interface with and without silicification, we observed that rapid silicification effectively preserved the integrity of the DNA origami. Statistical analysis of scanning electron microscopy data indicates that compared to bare DNA origami, the DNA origami-silica composite has an increased shape fidelity by more than two folds. Furthermore, molecular dynamics simulations revealed that rapid silicification effectively suppresses the distortion of the DNA origami through the interhelical insertion of silica precursors. Our strategy provides a simple yet effective solution to maintain the shape-fidelity DNA origami on interfaces that have strong interaction with DNA molecules, expanding the applicable interfaces for patterning 2D DNA origamis.

Titania/graphene nanocomposites from scalable gas-phase synthesis for high-capacity and high-stability sodium-ion battery anodes

In sodium-ion batteries (SIBs), TiO2 or sodium titanates are discussed as cost-effective anode material. The use of ultrafine TiO2 particles overcomes the effect of intrinsically low electronic and ionic conductivity that otherwise limits the electrochemical performance and thus its Na-ion storage capacity. Especially, TiO2 nanoparticles integrated in a highly conductive, large surface-area, and stable graphene matrix can achieve an exceptional electrochemical rate performance, durability, and increase in capacity. We report the direct and scalable gas-phase synthesis of TiO2 and graphene and their subsequent self-assembly to produce TiO2/graphene nanocomposites (TiO2/Gr). Transmission electron microscopy shows that the TiO2 nanoparticles are uniformly distributed on the surface of the graphene nanosheets. TiO2/Gr nanocomposites with graphene loadings of 20 and 30 wt% were tested as anode in SIBs. With the outstanding electronic conductivity enhancement and a synergistic Na-ion storage effect at the interface of TiO2 nanoparticles and graphene, nanocomposites with 30 wt% graphene exhibited particularly good electrochemical performance with a reversible capacity of 281 mAh g−1 at 0.1 C, compared to pristine TiO2 nanoparticles (155 mAh g−1). Moreover, the composite showed excellent high-rate performance of 158 mAh g−1 at 20 C and a reversible capacity of 154 mAh g−1 after 500 cycles at 10 C. Cyclic voltammetry showed that the Na-ion storage is dominated by surface and TiO2/Gr interface processes rather than slow, diffusion-controlled intercalation, explaining its outstanding rate performance. The synthesis route of these high-performing nanocomposites provides a highly promising strategy for the scalable production of advanced nanomaterials for SIBs.

Extreme Thermal Insulation and Tradeoff of Thermal Transport Mechanisms between Graphene and WS2 Monolayers.

Controlling and understanding the heat flow at a nanometer scale are challenging, but important for fundamental science and applications. Two-dimensional (2D) layered materials provide perhaps the ultimate solution for meeting these challenges. While there have been reports of low thermal conductivities (several mW m-1 K-1) across the 2D heterostructures, phonon-dominant thermal transport remains strong due to the nearly-ideal contact between the layers. Here, this work experimentally explores the heat transport mechanisms by increasing the interlayer distance from perfect contact to a few nanometers and demonstrates that the phonon-dominated thermal conductivity across the WS2/graphene interface decreases further with the increasing interlayer distance until the air-dominated thermal conductivity increases again. This work finds that the resulting tradeoff of the two heat conduction mechanisms leads to the existence of a minimum thermal conductivity at 2.11nm of 1.41×10-5W m-1 K-1, which is two thousandths of the smallest value reported previously. This work provides an effective methodology for engineering thermal insulation structures and understanding heat transport at the ultimate small scales.

First Principle Study on Schottky Barrier at Ni/Graphene/4H-SiC Interface

High stability 4H-SiC ohmic contact is currently a key technical challenge that silicon carbide devices urgently need to overcome. It is important to reduce the Schottky barrier height (SBH) at the Ni/4H-SiC interface to optimize ohmic contact. In this paper, the mechanisms of graphene layer changing Ni/4H-SiC interface Schottky barrier height (SBH) are studied based on the first-principles method within the local density approximation. Theoretical studies have shown that graphene intercalation can reduce the SBH of Ni and 4H-SiC interfaces. The reason of SBH reduction may be that the graphene C atoms saturate the dangling bonds on the 4H-SiC surface and the influence of the metal-induced energy gap state at the interface is reduced. In addition, the new phase formed at the interface of graphene and silicon carbide has a lower work function. Furthermore, an interfacial electric dipole layer may be formed at the 4H-SiC/graphene interface which may also reduce the SBH. These results make them to be promising candidates for future radiation resistant electronics.

Enhanced high-rate lithium storage of nanosphere composites with in-situ formed graphene interface bridging Ni3Sn4-based nanoparticles and carbon matrix

The nanosphere composites with in-situ formed graphene interface bridging intermetallic Ni3Sn4-based nanoparticles and carbon matrix (Ni3Sn4@g-C) are successfully fabricated through a facile organic–inorganic coordination complex-derived method. In this novel composite, numerous Ni3Sn4-based nanoparticles with a size of 10 ∼ 80 nm are homogeneously decorated in a carbon nanosphere with a diameter of 200 ∼ 400 nm, and at the interfaces between Ni3Sn4-based nanoparticles and the carbon matrix, several layers of graphene are in-situ formed during the fabrication process due to the catalytic effect of Ni species. When used as the anode in lithium ion batteries (LIBs), intermetallic Ni3Sn4 alloy can not only effectively alleviate the severe volume variation of Sn due to the incorporation of Ni component, but also further improve the mechanical stability and enhance the electrical conductivity of the resultant product owing to the formation of the graphene interface layers. As a result, the hierarchical Ni3Sn4@g-C composite displays high reversible capacities (547.0 mAh/g after 200 cycles at 200 mA g−1, and 542.8 mAh/g after 500 cycles at 1000 mA g−1), excellent cycling stability and superior rate properties (341.3 mAh/g even at a high rate of 2 A g−1). The unique microstructures and special introduction of Ni element in the hierarchical Ni3Sn4@g-C nanospheres are responsible for the enhanced electrochemical lithium storage properties.

Study on schottky barrier of Cu/Graphene/4H-SiC interface based on first principles

High stability 4H-SiC ohmic contact is currently a key technical challenge that silicon carbide devices urgently need to overcome. In the paper, the interfacial structures, atomic interactions and Schottky barrier height (SBH) of Cu/Graphene/4H-SiC were studied using the first-principles method. According to research, the SBH for Cu/G/4H-SiC is lower than the SBH for Cu/4H-SiC. The reasons for this phenomenon mainly include the following: 1. The graphene C atoms saturate the dangling bonds on the 4H-SiC surface and the influence of the metal-induced-gap-states (MIGS) at the interface is decreased. 2. A new phase is formed by inserting graphene between the Cu and 4H-SiC have low work functions. 3. An interfacial-electric-dipole layer (IEDL) formed at the interface of 4H-SiC and graphene may also reduce the SBH. These results make them to be promising candidates for future radiation resistant electronics.

Electronic conductivity in metal-graphene composites: the role of disordered carbon structures, defects, and impurities

This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene added to an aluminum matrix. We examine the impact on electronic conduction caused by the presence of nitrogen impurities within the interfacial amorphous graphene layer. We elucidate the conduction mechanisms by using a projection of the electronic conductivity into space.

Measurement of the surface susceptibility of single-layer atomic crystal by the photonic spin Hall effect in momentum space

Fast and robust measurement of the surface susceptibility is still in urgent need for investigation and application of atomically thin crystals. In this work, we propose an effective method to measure the surface susceptibility of single-layer graphene by detecting the photonic spin Hall effect in momentum space. At a graphene interface, the beam separations with different spin states contain an angular component due to the existence of surface susceptibility. By implementing a postselection with real weak value in our scheme, the contribution of the spatial spin-Hall shift is excluded and the angular one is amplified for detection. It is demonstrated that treating the angular shift as a pointer allows for a reliable determination of the surface susceptibility. Our method may pave a way for the optical parameter characterization of two-dimensional atomic crystals via angular metrology.

Enhancing photovoltaic efficiency: Integrating graphene and advanced interface layers to reduce the recombination losses in lead-free MASnI3 perovskite solar cells

Perovskite solar cells have attracted significant attention within the scientific community due to their rapidly advancing performance. In particular, inorganic perovskite devices are renowned for their remarkable performance and enduring stability. This study introduces a device optimization process guided by modeling to fabricate high-efficiency perovskite solar cells using lead-free n-i-p methyl ammonium tin iodide (MASnI3) materials. We thoroughly examined the impact of both the absorber and interface layers on the optimized structure. Our approach involves employing graphene as the interface layer between the hole transport and absorber layers. Additionally, we utilized ZnO:Al and 3C-SiC as interface layers between the absorber and electron transport layers. The optimization process entails adjusting the thickness of the absorber layer and interface layers while minimizing defect densities. The proposed optimized device structure, FTO/TiO2/ZnO:Al/MASnI3/Graphene/Cu2O/Au, demonstrates theoretical power conversion efficiencies of 30.43 %, fill factors of 89.30 %, a current density of 29.40 mA/cm2, a voltage of 1.1591 V, and a maximum quantum efficiency of 93 %. This research underscores the potential tin-based absorber layer MASnI3 as a non-toxic perovskite material for applications in sustainable energy from renewable sources.

Optimizing Lead-free MASnBr3 Perovskite Solar Cells for High-Efficiency and Long-Term Stability Using Graphene and Advanced Interface Layers.

Perovskite solar cells (PSCs) have garnered significant attention in the scientific community due to their rapid increase in performance. Inorganic perovskite devices have been noted for their high performance and long-term stability. This study introduces a device optimization process guided by modeling to produce high-efficiency PSCs using lead-free n-i-p methylammonium tin bromide (MASnBr3) materials. We have thoroughly examined the impact of both the absorber and interface layers on the optimized structure. Our approach utilized graphene as the interface layer between the hole transport and absorber layers. We employed zinc oxide (ZnO)/Al and 3C-SiC as interface layers between the absorber and electron transport layers. The optimization process involved adjusting the thicknesses of the absorber layer and interface layers and minimizing defect densities. Our proposed optimized device structure, ZnO/3C-SiC/MASnBr3/graphene/CuO/Au, demonstrates theoretical power conversion efficiencies of 31.97%, fill factors of 89.38%, a current density of 32.54 mA/cm2, a voltage of 1.112 V, and a quantum efficiency of 94%. This research underscores the ability of MASnBr3 as a nontoxic perovskite material for sustainable energy from renewable sources' applications.