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Covalently bonded particles may exhibit extremely high strength, but their performance in the reinforcement of metal alloys crucially depends on the properties of their interfaces with the embedding matrix. Here, density functional theory is used for investigating a range of interface configurations between magnesium and silicon carbide in view of their mechanical properties. Interfaces are analyzed not only in terms of interface energy/work of separation but also in terms of the interfacial shear stresses required to induce interface-parallel displacements. These properties are studied for bilayer systems with different orientations of the Mg and SiC layers and for different terminations of the SiC layer (Si or C atoms located at the interface). The results are discussed in terms of their implication for mechanical behavior of SiC reinforced Mg alloys.

Graphene/copper matrix composites have a wide range of application prospects, but the mechanical properties of the interface have been one of the key problems restricting their wide application. In this paper, the mechanical behaviors at the interface of graphene/copper matrix composites, such as pulling up, pulling out, and cohesion, and the effects of temperature and graphene content on them were studied by the molecular dynamics method. The results show that the pull-up force and cohesiveness show two stages in the whole process. The pulling force increases rapidly and then decreases to 0 slowly. The pull-out force shows three stages: it rises rapidly at first, then fluctuates continuously, and finally drops to 0. The mechanical properties of the interface deteriorated with the increase in temperature. When the temperature increased from 0 K to 1100 K, the interface normal strength, shear strength, and cohesion strength of the interface decreased by 26.3%, 32.9%, and 24.8%, respectively. In addition, with the increase in graphene content, the normal strength of the interface increases, the shear strength decreases, and the cohesion strength almost stays the same. When the graphene content increases from 6.71 at% to 11.75 at%, the normal strength increases by 6.8%, while the shear strength decreases by 37.4%. The influence mechanism of temperature and content is explained from the aspects of the influence of atomic thermal motion and the hindering effect of graphene on the dislocation motion of the copper matrix. The relevant results have certain reference values for the engineering application and theoretical research of graphene/copper composites.

We report the improvement in photoelectrochemical water splitting (PEC-WS) by controlling migration kinetics of photo-generated carriers using InGaN/GaN hetero-structure nanowires (HSNWs) as a photocathode (PC) material. The InGaN/GaN HSNWs were formed by first growing GaN nanowires (NWs) on an Si substrate and then forming InGaN NWs thereon. The InGaN/GaN HSNWs can cause the accumulation of photo-generated carriers in InGaN due to the potential barrier formed at the hetero-interface between InGaN and GaN, to increase directional migration towards electrolyte rather than the Si substrate, and consequently to contribute more to the PEC-WS reaction with electrolyte. The PEC-WS using the InGaN/GaN-HSNW PC shows the current density of 12.6 mA/cm2 at −1 V versus reversible hydrogen electrode (RHE) and applied-bias photon-to-current conversion efficiency of 3.3% at −0.9 V versus RHE. The high-performance PEC-WS using the InGaN/GaN HSNWs can be explained by the increase in the reaction probability of carriers at the interface between InGaN NWs and electrolyte, which was analyzed by electrical resistance and capacitance values defined therein.

Chitosan (CS) and pea protein isolate (PPI) were used as raw materials to prepare nanoparticles. The structures and functional properties of the nanoparticles with three ratios (1:1, 1:2 1:3, CS:PPI) were evaluated. The particle sizes of chitosan–pea protein isolate (CS–PPI) nanoparticles with the ratios of 1:1, 1:2, and 1:3 were 802.95 ± 71.94, 807.10 ± 86.22, and 767.75 ± 110.10 nm, respectively, and there were no significant differences. Through the analysis of turbidity, endogenous fluorescence spectroscopy and Fourier transform infrared spectroscopy, the interaction between CS and PPI was mainly caused by electrostatic mutual attraction and hydrogen bonding. In terms of interface properties, the contact angles of nanoparticles with the ratio of 1:1, 1:2, and 1:3 were 119.2°, 112.3°, and 107.0°, respectively. The emulsifying activity (EAI) of the nanoparticles was related to the proportion of protein. The nanoparticle with the ratio of 1:1 had the highest potential and the best thermal stability. From the observation of their morphology by transmission electron microscopy, it could be seen that the nanoparticles with a ratio of 1:3 were the closest to spherical. This study provides a theoretical basis for the design of CS–PPI nanoparticles and their applications in promoting emulsion stabilization and the delivery of active substances using emulsions.

Graphene based nano-composites are relatively new materials with excellent mechanical, electrical, electronic and chemical properties for applications in the fields of electrical and electronic devices, mechanical appliances and chemical gadgets. For all these applications, the structural features associated with chemical bonding that involve other components at the interface need in-depth investigation. Metals, polymers, inorganic fibers and other components improve the properties of graphene when they form a kind of composite structure in the nano-dimensions. Intensive investigations have been carried out globally in this area of research and development. In this article, some salient features of graphene–noble metal interactions and composite formation which improve hydrogen gas sensing properties—like higher and fast response, quick recovery, cross sensitivity, repeatability and long term stability of the sensor devices—are presented. Mostly noble metals are effective for enhancing the sensing performance of the graphene–metal hybrid sensors, due to their superior catalytic activities. The experimental evidence for atomic bonding between metal nano-structures and graphene has been reported in the literature and it is theoretically verified by density functional theory (DFT). Multilayer graphene influences gas sensing performance via intercalation of metal and non-metal atoms through atomic bonding.

We report the improvement in photoelectrochemical water splitting (PEC-WS) by controlling migration kinetics of photo-generated carriers using InGaN/GaN hetero-structure nanowires (HSNWs) as a photocathode (PC) material. The InGaN/GaN HSNWs were formed by first growing GaN nanowires (NWs) on an Si substrate and then forming InGaN NWs thereon. The InGaN/GaN HSNWs can cause the accumulation of photo-generated carriers in InGaN due to the potential barrier formed at the hetero-interface between InGaN and GaN, to increase directional migration towards electrolyte rather than the Si substrate, and consequently to contribute more to the PEC-WS reaction with electrolyte. The PEC-WS using the InGaN/GaN-HSNW PC shows the current density of 12.6 mA/cm 2 at -1 V versus reversible hydrogen electrode (RHE) and applied-bias photon-to-current conversion efficiency of 3.3% at -0.9 V versus RHE. The high-performance PEC-WS using the InGaN/GaN HSNWs can be explained by the increase in the reaction probability of carriers at the interface between InGaN NWs and electrolyte, which was analyzed by electrical resistance and capacitance values defined therein.