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Fc receptors (FcRs) are key players in antibody-dependent cellular phagocytosis (ADCP) with their specific recognition of the Fc portion of an immunoglobulin. Despite reports of FcγR-mediated phagocytosis in mammals, little is known about the effects of soluble FcγRs on the immune response. In this study, FcγRIα was cloned from the largemouth bass (Micropterus salmoides) (MsFcγRIα). Without a transmembrane segment or a cytoplasmic tail, MsFcγRIα was identified as a soluble form protein and widely distributed in the spleen, head kidney, and intestine. The native MsFcγRIα was detected in the serum of Nocardia seriolae-infected largemouth bass and the supernatants of transfected HEK293 cells. Additionally, it was verified that the transfected cells’ surface secreted MsFcRIα could bind to largemouth bass IgM. Moreover, the expression changes of MsFcγRIα, Syk, and Lyn indicated that MsFcγRIα was engaged in the acute phase response to bacteria, and the FcγR-mediated phagocytosis pathway was activated by Nocardia seriolae stimulation. Furthermore, recombinant MsFcγRIα could enhance both reactive oxygen species (ROS) and phagocytosis to Nocardia seriolae of leukocytes, presumably through the interaction of MsFcγRIα with a complement receptor. In conclusion, these findings provided a better understanding of the function of soluble FcγRs in the immune response and further shed light on the mechanism of phagocytosis in teleosts.

Twinning frequently occurs in nanocrystals during various thermal, chemical, or mechanical processes. However, the nucleation and propagation mechanisms of twinning in nanocrystals remain poorly understood. Through in situ atomic resolution transmission electron microscopy observation at millisecond temporal resolution, we show the twinning in Pb individual nanocrystals via a double-layer swap motion where two adjacent atomic layers shift relative to one another. The swap motion results in twin nucleation, and it also serves as a basic unit of movement for twin propagation. Our calculations reveal that the swap motion is a phonon eigenmode of the face-centered cubic crystal structure of Pb, and it is enhanced by the quantum size effect of nanocrystals.

Although conventional homoepitaxy forms high-quality epitaxial layers1-5, the limited set of material systems for commercially available wafers restricts the range of materials that can be grown homoepitaxially. At the same time, conventional heteroepitaxy of lattice-mismatched systems produces dislocations above a critical strain energy to release the accumulated strain energy as the film thickness increases. The formation of dislocations, which severely degrade electronic/photonic device performances6-8, is fundamentally unavoidable in highly lattice-mismatched epitaxy9-11. Here, we introduce a unique mechanism of relaxing misfit strain in heteroepitaxial films that can enable effective lattice engineering. We have observed that heteroepitaxy on graphene-coated substrates allows for spontaneous relaxation of misfit strain owing to the slippery graphene surface while achieving single-crystalline films by reading the atomic potential from the substrate. This spontaneous relaxation technique could transform the monolithic integration of largely lattice-mismatched systems by covering a wide range of the misfit spectrum to enhance and broaden the functionality of semiconductor devices for advanced electronics and photonics.

Understanding nanostructure ripening mechanisms is desirable for gaining insight on the growth and potential applications of nanoscale materials. However, the atomic pathways of nanostructure ripening in solution have rarely been observed directly. Here, we report defect-mediated ripening of Cd-CdCl2 core-shell nanoparticles (CSN) revealed by in-situ atomic resolution imaging with liquid cell transmission electron microscopy. We find that ripening is initiated by dissolution of the nanoparticle with an incomplete CdCl2 shell, and that the areas of the Cd core that are exposed to the solution are etched first. The growth of the other nanoparticles is achieved by generating crack defects in the shell, followed by ion diffusion through the cracks. Subsequent healing of crack defects leads to a highly crystalline CSN. The formation and annihilation of crack defects in the CdCl2 shell, accompanied by disordering and crystallization of the shell structure, mediate the ripening of Cd-CdCl2 CSN in the solution. Published version This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (BES), Materials Sciences and Engineering Division under Contract No. DE-AC02-05-CH11231 within the in-situ TEM program (KC22ZH). Work at the Molecular Foundry of Lawrence Berkeley National Laboratory (LBNL) was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Summary Various recycling technologies have been developed to deal with plastic problems, but they face considerable economic and technological challenges in practice. An attractive alternative is upcycling, which aims to dig out the embedded value to incentivize large-scale valorization of plastic wastes. The degradation of nonrecoverable plastic wastes is another necessity to treat the omnipresent pollution. This review presents an overview on the conversion of plastic wastes toward value-added products and the catalytic degradation of nonrecoverable plastic wastes. Based on an examination of traditional recycling technologies and products, we summarize the state-of-the-art design and development of plastic conversion to high-value and high-performance fuels, chemicals, and materials. Subsequently, we highlight the advances in catalytic degradation of plastics to environmentally benign or degradable products and mineralization into carbon dioxide and water. We conclude with our perspective on the ongoing challenge and opportunities.

Conversion of biomass-derived glucose to 5-hydroxymethylfurfural (HMF) is an important step for valorizing lignocellulosic biomass. In conventional reaction systems such as aqueous or water-organic solvent biphasic system, degradation of the formed HMF and other intermediates into undesired products is inevitable due to the presence of Bronsted acid, limiting HMF production efficiency. Here, we develop a novel reaction system consisting of heterogeneous catalyst with reduced Bronsted acidity and ionic liquid 1-ethyl-3-methylimidazolium bromide (EMIMBr) to achieve the efficient conversion of high-concentration glucose to HMF. A series of Al-containing materials was synthesized and characterized by N2 adsorption-desorption, XRD, XPS, FIIR, Py-IR and CO2 TPD, among which the Al2O3-b-0.05 prepared by simple alkaline treatment exhibited high Lewis acidity and low Bronsted acidity. The Al2O3-b-0.05 in the medium of EMIMBr leaded to the highest HMF yield of 49.7% from high-concentration glucose (up to 10 wt%), as is more efficient than the heterogeneous EMIMCl/Al2O3-b-0.05 and homogeneous EMIMBr/AlCl3 system. This work provides a paradigm of improving HMF production efficiency via the combined use of heterogeneous Lewis acid catalyst and ionic liquid.

Atomic layer deposition is a chemical deposition technology that provides ultimate control over the conformality of films and their thickness, even down to Angstrom-scale precision. Based on the marked superficial character and gas phase process of the technique, metal sources and their ligands shall ideally be highly volatile. However, in numerous cases those ligands corrode the substrate or compete for adsorption sites, well-known as side reactions of these processes. Therefore, the ability to control such side reactions might be of great interest, since it could achieve synchronous coating and alteration of a substrate in one process, saving time and energy otherwise needed for a post-treatment of the sample. Consequently, advances in this way must require understanding and control of the chemical processes that occur during the coating. In this work, we show how choosing an appropriate ligand of the metal source can unveil a novel approach to concertedly coat and reduce γ-Fe2O3 nanoparticles to form a final product composed of Fe3O4/TiO2 core/shell nanoparticles. To this aim, we envisage that appropriate design of precursors and selection of substrates will pave the way for numerous new compositions, while the ALD process itself allows for easy upscaling to large amounts of coated and reduced particles for industrial use.

Background Social networks are associated with better cognitive health in older people, but the role of specific aspects of the social network remains unclear. This is especially the case in Central and Eastern Europe. This study examined associations between three aspects of the social network (network size of friends and relatives, contact frequency with friends and relatives, and social activity participation) with cognitive functions (verbal memory, learning ability, verbal fluency, processing speed, and global cognitive function) in older Czech, Polish, and Russian adults. Methods Linear regression estimated associations between baseline social networks and cognitive domains measured at both baseline and follow-up (mean duration of follow-up, 3.5 ± 0.7 years) in 6691 participants (mean age, 62.2 ± 6.0 years; 53.7% women) from the Health, Alcohol and Psychosocial factors In Eastern Europe (HAPIEE) study. Results Cross-sectional analyses, adjusted for country, age, and sex, showed positive associations of global cognitive function with social activity participation and network size of friends and relatives, but not with contact frequency in either network. Further adjustment for sociodemographic, behavioural, and health characteristics attenuated the associations with network size of relatives (P-trend = 0.074) but not with network size of friends (P-trend = 0.036) or social activities (P-trend Conclusions Older Central and Eastern European adults with larger social networks and greater social activities participation had better cognitive function, but these associations were stronger at baseline than over the short-term follow-up.

Photocatalysis has exhibited huge potential in many reactions, but the design of metal-free photocatalytic material for selective upgrading of biomass is rarely achieved. Here, we report that the metal-free photocatalyst consisted of nitrogen-deficient carbon nitride (BNCN) and chlorin e6 (Ce6) can efficiently and selectively oxidize glucose into gluconic acid and glucaric acid. Introducing nitrogen defects could significantly enhance the optical absorption and modulate the band structure. In addition, the combination of Ce6 with BNCN further improve the optical absorption property and promote effective separation of photon-generated carriers. As expected, the resultant Ce6@BNCN catalyst gave a total selectivity of gluconic acid, glucaric acid and arabinose as high as 70.9% at glucose conversion up to 62.3%, as is superior to previously reported photocatalytic systems. The mechanism for the enhancement of catalytic performance and the reaction pathway were revealed by experimental studies combined with DFT calculations.

Deployable solar arrays play an important role in the realization of various spacecraft missions. Taking the flexible spacecraft as an application background, the natural characteristics of...

It has recently been shown that quantum-confined states can appear in epitaxially grown van der Waals material heterobilayers without a rotational misalignment ($\theta=0^\circ$), associated with flat bands in the Brillouin zone of the moir\'e pattern formed due to the lattice mismatch of the two layers. Peaks in the local density of states and confinement in a MoS$_2$/WSe$_2$ system was qualitatively described only considering local stacking arrangements, which cause band edge energies to vary spatially. In this work, we report the presence of large in-plane strain variation across the moir\'e unit cell of a $\theta=0^\circ$ MoS$_2$/WSe$_2$ heterobilayer, and show that inclusion of strain variation and out-of-plane displacement in density functional theory calculations greatly improves their agreement with the experimental data. We further explore the role of twist-angle by showing experimental data for a twisted MoS$_2$/WSe$_2$ heterobilayer structure with twist angle of $\theta=15^\circ$, that exhibits a moir\'e pattern but no confinement., Comment: 13 pages, 6 figures in main text. Supporting information included with 13 pages, 8 figures, and 2 tables

International audience; The transparency of two-dimensional (2D) materials to intermolecular interactions of crystalline materials has been an unresolved topic. Here we report that remote atomic interaction through 2D materials is governed by the binding nature, that is, the polarity of atomic bonds, both in the underlying substrates and in 2D material interlayers. Although the potential field from covalent-bonded materials is screened by a monolayer of graphene, that from ionic-bonded materials is strong enough to penetrate through a few layers of graphene. Such field penetration is substantially attenuated by 2D hexagonal boron nitride, which itself has polarization in its atomic bonds. Based on the control of transparency, modulated by the nature of materials as well as interlayer thickness, various types of single-crystalline materials across the periodic table can be epitaxially grown on 2D material-coated substrates. The epitaxial films can subsequently be released as free-standing membranes, which provides unique opportunities for the heterointegration of arbitrary single-crystalline thin films in functional applications.

In this paper, to identify the roof unconfined compressive strength (UCS) in the process of coal mine roadway support in real-time and optimize the real-time drilling speed while drilling, this paper proposes and establishes a drilling test method for assessing the uniaxial compressive strength (UCS) of a roof. This method can be used to optimize the speed of drilling. Moreover, a mathematical model of the power output is developed for a roof-strata identification system with a drilling test system. The results were as follows: (1) the system was able to identify the uniaxial compressive strength of roof rock, (2) the pressure of the drill leg of the pneumatic bolt did not match the output power of the pneumatic motor, the pneumatic motor could not reach the maximum power point, and the insufficient thrust of the pneumatic leg led to failure of the maximum output power of the pneumatic motor, (3) to increase the output power of the air motor and thus improve the drilling speed, we applied a booster valve for the system. The experimental results show that the power of the air motor has a linear relationship with drilling speed. In this way, the speed of the drill can be increased by increasing the motor power.

To achieve efficient degradation of pharmaceutical and personal care products (PPCPs), dual reaction centers ZnO@FePc photo-Fenton catalysts with high-speed electron transmission channel were designed through surface hydroxyl-induced assembly. In ZnO@FePc catalytic system, the photocatalysis center of ZnO and Fenton catalytic center of FePc were formed simultaneously. Concept and process for the control of hydroxyl groups to construct a dual reaction center ZnO@FePc photo-Fenton catalyst were verified ingeniously based on the density functional theory (DFT) analysis and experimental results. A series of catalysts, including ZIF-8 (400 ℃-N2), FePc (400 ℃-N2), ZIF-8 (400 ℃)-FePc (400 ℃) and ZnO@FePc were prepared and characterized by XRD, FTIR, TEM, BET, XPS, PL and DRS, respectively. The ZnO@FePc catalyst showed superior performance for the photo-Fenton degradation of ibuprofen, affording degradation rate larger than 90 % within just 10 min under simulateed sunlight. The excellent performance of ZnO@FePc catalyst is mainly attributed to the synergistic effect between dual reaction centers of ZnO@FePc. This work provides a novel method to construct dual reaction centers ZnO@FePc catalyst with efficient photo-generated electrons transmission link and to strengthen the synergistic effect of dual reaction centers.

First-principles calculations have been carried out to investigate the adsorption of a hydrogen adatom on 24 metal doped α-Zr (0 0 0 1) surfaces in both a vacuum and an implicit solvation environment. The dopant are the elements in the 4th and 5th periods in the periodic table. Doping elements at the tail of the 4th and 5th periods can significantly reduce the hydrogen pickup in a vacuum environment. A weighted d-band center theory is used to analyze the doping effect. On the other hand, the hydrogen adsorption energies in water are relatively lower for all doped slabs and the surface adsorption of hydrogen adatom is stronger than that in a vacuum environment, especially, for the slabs with doping elements at the tail of the 4th and 5th periods. In the solvation environment, electronegativity difference affects the adsorption. Doping elements Ag, Ga, Ge, Sn, and Sb can reduce the hydrogen pickup in vacuum, while Ag and Cu can reduce the hydrogen pickup of the zirconium alloys in solvent environment.

Controlled growth of crystalline solids is critical for device applications, and atomistic modeling methods have been developed for bulk crystalline solids. Kinetic Monte Carlo (KMC) simulation method provides detailed atomic scale processes during a solid growth over realistic time scales, but its application to the growth modeling of van der Waals (vdW) heterostructures has not yet been developed. Specifically, the growth of single-layered transition metal dichalcogenides (TMDs) is currently facing tremendous challenges, and a detailed understanding based on KMC simulations would provide critical guidance to enable controlled growth of vdW heterostructures. In this work, a KMC simulation method is developed for the growth modeling on the vdW epitaxy of TMDs. The KMC method has introduced full material parameters for TMDs in bottom-up synthesis: metal and chalcogen adsorption/desorption/diffusion on substrate and grown TMD surface, TMD stacking sequence, chalcogen/metal ratio, flake edge diffusion and vacancy diffusion. The KMC processes result in multiple kinetic behaviors associated with various growth behaviors observed in experiments. Different phenomena observed during vdW epitaxy process are analysed in terms of complex competitions among multiple kinetic processes. The KMC method is used in the investigation and prediction of growth mechanisms, which provide qualitative suggestions to guide experimental study.

In this work, we perform a comprehensive study of five phenomena of LiNi1-2xCoxMnxO2 (NCM) (x = 0–1/3) cathodes at the end of charge (phase reaction, crack propagation, Li-Ni exchange, phase transition, and oxygen evolution), using first-principle calculations within the DFT + U framework. Based on our results, we have located the obstacles toward unity efficiency and revealed that the degradation strongly depends on the Ni concentration and the depth of charge. The threshold capacities for degradation of LiyNi1-2xCoxMnxO2 are 130–140 mA·hg−1 (y

Furfural is a versatile platform molecule for the synthesis of various chemicals and fuels, and it can be produced by acid-catalyzed dehydration of xylose derived from renewable biomass resources. A series of metal salts and ionic liquids were investigated to obtain the best combination of catalyst and solvent for the conversion of xylose into furfural. A furfural yield of 71.1% was obtained at high xylose loading (20 wt%) from the single-phasic reaction system whereby SnCl4 was used as catalyst and ionic liquid 1-ethyl-3-methylimidazolium bromide (EMIMBr) was used as reaction medium. Moreover, the combined catalyst consisting of 5 mol% SnCl4 and 5 mol% MgCl2 also produced a high furfural yield (68.8%), which was comparable to the furfural yield obtained with 10 mol% SnCl4. The water&ndash, organic solvent biphasic systems could improve the furfural yield compared with the single aqueous phase. Although these organic solvents could form biphasic systems with ionic liquid EMIMBr, the furfural yield decreased remarkably compared with the single EMIMBr phase. Besides, the EMIMBr/SnCl4 system with appropriate water was also efficient to convert xylan and lignocellulosic biomass corn stalk into furfural, obtaining furfural yields as high as 57.3% and 54.5%, respectively.

By investigating the bulk superconducting state via dc magnetization measurements, we have discovered a common resurgence of the superconductive transition temperatures (Tcs) of the monolayer Bi2Sr2CuO6+{\delta} (Bi2201) and bilayer Bi2Sr2CaCu2O8+{\delta} (Bi2212) to beyond the maximum Tcs (Tc-maxs) predicted by the universal relation between Tc and doping (p) or pressure (P) at higher pressures. The Tc of under-doped Bi2201 initially increases from 9.6 K at ambient to a peak at ~ 23 K at ~ 26 GPa and then drops as expected from the universal Tc-P relation. However, at pressures above ~ 40 GPa, Tc rises rapidly without any sign of saturation up to ~ 30 K at ~ 51 GPa. Similarly, the Tc for the slightly overdoped Bi2212 increases after passing a broad valley between 20-36 GPa and reaches ~ 90 K without any sign of saturation at ~ 56 GPa. We have therefore attributed this Tc-resurgence to a possible pressure-induced electronic transition in the cuprate compounds due to a charge transfer between the Cu 3d_(x^2-y^2 ) and the O 2p bands projected from a hybrid bonding state, leading to an increase of the density of states at the Fermi level, in agreement with our density functional theory calculations. Similar Tc-P behavior has also been reported in the trilayer Br2Sr2Ca2Cu3O10+{\delta} (Bi2223). These observations suggest that higher Tcs than those previously reported for the layered cuprate high temperature superconductors can be achieved by breaking away from the universal Tc-P relation through the application of higher pressures., Comment: 13 pages, including 5 figures

Production of 5-hydroxymethylfurfural (HMF) is a pivotal step in biorefinery. However, the intrinsic HMF production efficiency in traditional catalytic systems are low owing to the side-reactions. Here we report the highly efficient transformation of carbohydrates to HMF via tandem catalysis in heterogeneous catalytic system. The combination of Al and Sn co-modified hydroxyapatite catalyst (Al/Sn-HAP) with ionic liquid exhibit a low activation energy of 68.4 kJ mol-1, affording HMF yields of 70.5 and 46.6% at glucose loading of 10 and 40 wt%, respectively. Compared with other catalysts, Al/Sn-HAP exhibits remarkably higher Lewis acid concentration, specific surface area and pore dimeter with slight Bronsted acid, as are beneficial for glucose isomerization. The efficient conversion of maltose, cellobiose and starch to HMF are achieved via the triple tandem pathway consisted of hydrolysis, isomerization and dehydration with inhibited side-reaction. Besides, the Al/Sn-HAP catalyst after regeneration can be reused without decrease of catalytic performance.

To achieve efficient degradation of dye in wastewater, the core-shell nickel cobalt spinel coated with iron phthalocyanine (NiCo2O4@FePc) catalyst was prepared via a facile template method and investigated as heterogenous catalyst for degradation of dye in Fenton process. The catalysts were systematically characterized by transmission electron microscopy (TEM), N2 adsorption/desorption isotherms, X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) analysis. The results indicated that the NiCo2O4@FePc catalyst exhibits core-shell structure with abundant oxygen vacancies and high specific surface area (261.9 m2/g). NiCo2O4@FePc showed much higher catalytic activity for the mineralization of (TOC removal rate > 90%) RhB than nickel cobalt spinel (NiCo2O4), iron phthalocyanine (FePc) and the physical mixture of NiCo2O4 and FePc (NiCo2O4-FePc-M). The radical scavenging experiments and reaction kinetics experiments revealed that the excellent catalytic perormance of NiCo2O4@FePc benefits from the efficient production of •O2− and •OH radical. Moreover, the catalytic performance of NiCo2O4@FePc can be well maintained in the presence of inorganic anions (HCO3− and Cl−), natural organic matter or tap water. Besides, the liquid stability and resubility of NiCo2O4@FePc were demonstrated by filtration and recyling experiment. This work can provide new insight for construction of Fe-based heterogenous catalysts which are promising for the efficient elimination of organic pollutants.

Quantum Hall effect (QHE) is a macroscopic manifestation of quantized states that only occurs in confined two-dimensional electron gas (2DEG) systems. Experimentally, QHE is hosted in high-mobility 2DEG with large external magnetic field at low temperature. Two-dimensional van der Waals materials, such as graphene and black phosphorus, are considered interesting material systems to study quantum transport because they could unveil unique host material properties due to the easy accessibility of monolayer or few-layer thin films at the 2D quantum limit. For the first time, we report direct observation of QHE in a novel low-dimensional material system, tellurene. High-quality 2D tellurene thin films were acquired from recently reported hydrothermal method with high hole mobility of nearly 3000 cm2/(V s) at low temperatures, which allows the observation of well-developed Shubnikov-de Haas (SdH) oscillations and QHE. A four-fold degeneracy of Landau levels in SdH oscillations and QHE was revealed. Quantum oscillations were investigated under different gate biases, tilted magnetic fields, and various temperatures, and the results manifest the inherent information on the electronic structure of Te. Anomalies in both temperature-dependent oscillation amplitudes and transport characteristics were observed that are ascribed to the interplay between the Zeeman effect and spin-orbit coupling, as depicted by the density functional theory calculations.

Using the Bardeen tunneling method with first-principles wave functions, computations are made of the tunneling current in graphene/hexagonal-boron-nitride/graphene (G/h-BN/G) vertical structures. Detailed comparison with prior experimental results is made, focusing on the magnitude of the achievable tunnel current. With inclusion of the effects of translational and rotational misalignment of the graphene and the h-BN, predicted currents are found to be about 15× larger than experimental values. A reduction in this discrepancy, to a factor of 2.5×, is achieved by utilizing a realistic size for the band gap of the h-BN, hence affecting the exponential decay constant for the tunneling.

The authors investigate the thermodynamic and electronic properties of few- and monolayer MoS2 using density functional theory. They calculate the formation energies of S vacancies and the doping effect of C and O under various chemical environments which are commonly observed during MoS2 deposition. The results show that in the oxidizing condition, O readily gets incorporated into the MoS2 layer and assists in C doping. They analyze the bandgap and density of states of MoS2 at different concentrations of defect. They find that the bandgap decreases as the defect concentration increases, wherein the ordering of S vacancies has a more significant influence than that of the other two defects. The S vacancy and C dopants generate deep acceptor gap states within the bandgap of MoS2, while O dopant states are delocalized. They also observe that the carbon dopants form penetrative dimers, which lead to shallow acceptor states. This work contributes to the understanding of defect/impurity incorporation during deposition and prediction of electronic behavior of deposited low-quality MoS2 materials.The authors investigate the thermodynamic and electronic properties of few- and monolayer MoS2 using density functional theory. They calculate the formation energies of S vacancies and the doping effect of C and O under various chemical environments which are commonly observed during MoS2 deposition. The results show that in the oxidizing condition, O readily gets incorporated into the MoS2 layer and assists in C doping. They analyze the bandgap and density of states of MoS2 at different concentrations of defect. They find that the bandgap decreases as the defect concentration increases, wherein the ordering of S vacancies has a more significant influence than that of the other two defects. The S vacancy and C dopants generate deep acceptor gap states within the bandgap of MoS2, while O dopant states are delocalized. They also observe that the carbon dopants form penetrative dimers, which lead to shallow acceptor states. This work contributes to the understanding of defect/impurity incorporation during de...

Author(s): Pan, Y; Folsch, S; Lin, YC; Jariwala, B; Robinson, JA; Nie, Y; Cho, K; Feenstra, RM | Abstract: Scanning tunneling microscopy (STM) at 5 K is used to study WSe2 layers grown on epitaxial graphene which is formed on Si-terminated SiC(0 0 0 1). Specifically, a partial hydrogenation process is applied to intercalate hydrogen at the SiC-graphene interface, yielding areas of quasi-free-standing bilayer graphene coexisting with bare monolayer graphene. We find that an abrupt and structurally perfect homojunction (band-edge offset ∼0.25 eV) is formed when WSe2 overgrows a lateral junction between adjacent monolayer and quasi-free-standing bilayer areas in the graphene. The band structure modulation in the WSe2 overlayer arises from the varying work function (electrostatic potential) of the graphene beneath. Scanning tunneling spectroscopy measurements reveal that this effect can be also utilized to create WSe2 quantum dots that confine either valence or conduction band states, in agreement with first-principles band structure calculations.

Theoretical predictions are made for the current-voltage characteristics of two-dimensional heterojunction interlayer tunneling field-effect transistors (Thin-TFETs), focusing on the magnitude of the current that is achievable in such devices. A theory based on the Bardeen tunneling method is employed, using wavefunctions from first-principles density-functional theory. This method permits convenient incorporation of differing materials into the source and drain electrodes, i.e. with different crystal structures, lattice constants, and/or band structures. Large variations in the tunnel currents are found, depending on the particular two-dimensional materials used for the source and drain electrodes. Tunneling between states derived from the center (Gamma-point) of the Brillouin zone (BZ) is found, in general, to lead to larger current than for zone-edge (e.g. K-point) states. Differences, as large as an order of magnitude, between the present results and various prior predictions are discussed. Predicted values for the tunneling currents, including subthreshold swing, are compared with benchmark values for low-power digital applications. Contact resistance is considered and its effect on the tunneling currents is demonstrated., 20 pages, 9 figures

The limited grain size (