Size- and Voltage-Dependent Electron Transport of C2N-Rings-Based Molecular Chains.

C2N-ring-based molecular chains were designed at the molecular level and theoretically demonstrated to show distinctive and valuable electron transport properties that were superior to the parent carbonaceous system and other similar nanoribbon-based molecular chains. This new -type molecular chain presented an exponential attenuation of the conductance and electron transmission with the length. Essentially, the molecular chain retained the electron-resonant tunneling within 7 nm and the dominant transport orbital was the LUMO. Shorter molecular chains with stronger conductance anomalously possessed a larger tunnel barrier energy, attributing to the compensation of a much smaller HOMO-LUMO gap, and these two internal factors codetermined the transport capacity. Some influencing factors were also studied. In contrast to the common O impurity with a tiny effect on electron transmission of the C2N rings chain, the common H impurity clearly improved it. When the temperature was less than 400 K, the electron transmission varied with temperature within a narrow range, and the structural disorder deriving from proper heating did not greatly modify the transmission possibility and the exponentially decreasing tendency with the length. In a non-equilibrium condition, the current increased overall with the bias but the growth rate varied with size. A valuable negative differential resistance (NDR) effect appeared in longer molecular chains with an even number of big carbon-nitrogen rings and strengthened with size. The emergence of such an effect originated from the reduction in transmission peaks. The conductance of longer molecular chains was enhanced with the voltage but the two shortest ones presented completely different trends. Applying the bias was demonstrated to be an effective way for C2N-ring-based molecular chains to slow down the conductance decay constant and affect the transport regime. C2N-ring-based molecular chains show a perfect application in tunneling diodes and controllable molecular devices.

Tunable Electronic Transport of New-Type 2D Iodine Materials Affected by the Doping of Metal Elements.

2D iodine structures under high pressures are more attractive and valuable due to their special structures and excellent properties. Here, electronic transport properties of such 2D iodine structures are theoretically studied by considering the influence of the metal-element doping. In equilibrium, metal elements in Group 1 can enhance the conductance dramatically and show a better enhancement effect. Around the Fermi level, the transmission probability exceeds 1 and can be improved by the metal-element doping for all devices. In particular, the device density of states explains well the distinctions between transmission coefficients originating from different doping methods. Contrary to the "big" site doping, the "small" site doping changes transmission eigenstates greatly, with pronounced electronic states around doped atoms. In non-equilibrium, the conductance of all devices is almost weaker than the equilibrium conductance, decreasing at low voltages and fluctuating at high voltages with various amplitudes. Under biases, K-big doping shows the optimal enhancement effect, and Mg-small doping exhibits the most effective attenuation effect on conductance. Contrastingly, the currents of all devices increase with bias linearly. The metal-element doping can boost current at low biases and weaken current at high voltages. These findings contribute much to understanding the effects of defects on electronic properties and provide solid support for the application of new-type 2D iodine materials in controllable electronics and sensors.

Influence of ß-Stabilizer Element on Microstructure and Mechanical Behavior of Porous Titanium Alloy Synthesized by Liquid Metal Dealloying.

The metallic implant materials for load-bearing applications typically possess a significantly higher stiffness when compared with that of human bone. In some cases, this stiffness mismatch leads to a stress-shielding effect and eventual loosing of the implant. Porous metallic materials are suitable candidates to overcome this problem. In this study, we synthesized low modulus open porous TiFe alloy by liquid metal dealloying of the precursor Ti47.5Fe2.5Cu50 (at.%) material in liquid Mg. Upon liquid metal dealloying, Cu was selectively dissolved from the precursor, and the remaining Ti and Fe elements were reorganized into a bicontinous porous structure. The synthesized TiFe alloy is composed of α-titanium and ß-titanium phases. The average measured ligament size is in the micrometer range. It was found that a higher dealloying temperature leads to a pronounced coarsening of the microstructure. The open porous TiFe alloy possesses a low elastic modulus of about 6.4-6.9 GPa. At the same time, its yield strength value reaches about 185 MPa due to the α + ß microstructure. Its attractive mechanical properties for biomedical applications, together with its open porous structure, indicate the potential of porous TiFe alloys to be used as implants.

Mechanical and Structural Characterization of Laser-Cladded Medium-Entropy FeNiCr-B4C Coatings.

Equiatomic medium-entropy alloy (MEA) FeNiCr-B4C (0, 1, and 3 wt.% B4C) coatings were deposited onto an AISI 1040 steel substrate using pulsed laser cladding. Based on an SEM microstructural analysis, it was found that the cross-sections of all the obtained specimens were characterized by an average coating thickness of 400 ± 20 µm, a sufficiently narrow (100 ± 20 µm) "coating-substrate" transition zone, and the presence of a small number of defects, including cracks and pores. An XRD analysis showed that the formed coatings consisted of a single face-centered cubic (FCC) γ-phase and the space group Fm-3m, regardless of the B4C content. However, additional TEM analysis of the FeNiCr coating with 3 wt.% B4C revealed a two-phase FCC structure consisting of grains (FCC-1 phase, Fm-3m) up to 1 µm in size and banded interlayers (FCC-2 phase, Fm-3m) between the grains. The grains were clean with a low density of dislocations. Raman spectroscopy confirmed the presence of B4C carbides inside the FeNiCr (1 and 3 wt.% B4C) coatings, as evidenced by detected peaks corresponding to amorphous carbon and peaks indicating the stretching of C-B-C chains. The mechanical characterization of the FeNiCr-B4C coatings specified that additions of 1 and 3 wt.% B4C resulted in a notable increase in microhardness of 16% and 38%, respectively, with a slight decrease in ductility of 4% and 10%, respectively, compared to the B4C-free FeNiCr coating. Thus, the B4C addition can be considered a promising method for strengthening laser-cladded MEA FeNiCr-B4C coatings.

Surface Functionalization of Biomedical Ti-6Al-7Nb Alloy by Liquid Metal Dealloying.

Surface functionalization is an effective approach to change the surface properties of a material to achieve a specific goal such as improving the biocompatibility of the material. Here, the surface of the commercial biomedical Ti-6Al-7Nb alloy was functionalized through synthesizing of a porous surface layer by liquid metal dealloying (LMD). During LMD, the Ti-6Al-7Nb alloy is immersed in liquid magnesium (Mg) and both materials react with each other. Particularly, aluminum (Al) is selectively dissolved from the Ti-6Al-7Nb alloy into liquid Mg while titanium (Ti) and niobium (Nb) diffuse along the metal/liquid interface to form a porous structure. We demonstrate that the porous surface layer in the Ti-6Al-7Nb alloy can be successfully tailored by LMD. Furthermore, the concentration of harmful Al in this porous layer is reduced by about 48% (from 5.62 ± 0.11 wt.% to 2.95 ± 0.05 wt.%) after 30 min of dealloying at 1150 K. The properties of the porous layer (e.g., layer thickness) can be tuned by varying the dealloying conditions. In-vitro tests suggest improved bone formation on the functionalized porous surface of the Ti-6Al-7Nb alloy.