Increasing Li Content Research Articles

Dependence of defect susceptibility on microporosity variation in Mg-xLi-3Al-1Zn casting alloys

This study quantitatively describes relative contribution of microstructural characteristics and microporosity variation to the tensile properties of Mg-xLi-3Al-1Zn alloys from the perspective of defect susceptibility. The alloys were prepared by melting pure lithium, AZ31 alloy, and additional elements in two crucibles under an Ar atmosphere, and then mixing them to add Li in the range of 2–12 wt%. As the Li content increases, the Li-rich β phase forms along the grain boundaries of the Mg-rich α phase. At approximately 12 wt% Li, the entire matrix transitions to the Li-rich β phase, and the volume density decreases from 1.762 g/cm³ (AZ31 alloy) to a minimum of 1.435 g/cm³. Additionally, the yield strength continuously increased from 67 MPa (AZ31 alloy) to approximately 120 MPa with increasing Li content, while the tensile strength increased from 127 MPa (AZ31 alloy) to a maximum of 144 MPa at 6 wt% Li, and the elongation increased to 19 % at 10 wt% Li before decreasing at higher additions. The fracture mode during tensile deformation clearly depends on the fraction of α phase and β phase, varying with Li addition. However, all tensile properties, including yield strength, are fundamentally influenced by the fractographic porosity based on the fracture surface. The defect susceptibility coefficients on microporosity variation for tensile strength and elongation, and the maximum values achievable under defect-free conditions, are highest at 6 wt% Li and 10 wt% Li, respectively. Furthermore, the relative contributions of microporosity and microstructural components to the defect susceptibility of tensile properties can be described: tensile strength increases in the order of the mixed α+β phase, β phase, and microporosity, while the contribution of the β phase to elongation is relatively lower compared to the mixed α+β phase and microporosity.

Thermodynamic and Kinetic Properties of the Lithium-Silver System.

A carbon-silver anode has recently been shown to suppress dendrite formation in all-solid-state lithium-ion batteries. The role that silver plays in enabling the reversible deposition and stripping of lithium remains unknown. Furthermore, very little is known about the thermodynamic and kinetic properties of Li x Ag1-x alloys. Here, we report on an in-depth first-principles study of phase stability and diffusion mechanisms in the Li-Ag alloy system. We identify two new intermetallic phases that are predicted to be stable in Li-rich Li x Ag1-x alloys with stoichiometries of Li3Ag and Li11Ag2. Our calculations show that the peculiar and highly anharmonic energy surface of pure Li along the Bain and Burgers paths persists upon the addition of Ag to BCC Li. This has important implications for room-temperature phase stability and mechanical properties. We have also performed a systematic study of diffusion mechanisms in the Li x Ag1-x alloy system as a function of alloy concentration x. Diffusion in alloys and intermetallics is mediated by vacancies. High vacancy formation energies are predicted in the Li x Ag1-x alloy, especially in Ag-rich FCC solid solutions. Complex diffusion mechanisms are identified in the B2 and γ-brass intermetallic phases that include two-atom hops and second-nearest neighbor hops. The migration barriers are found to decrease with increasing Li concentration, with predictions of exceptionally low migration barriers of 0.1 eV in the D03 Li3Ag phase.

Heavy metal migration and lithium isotope fractionation under extreme weathering of basalt on tropical Hainan Island, China

Basalt weathering can cause heavy metal enrichment in soils, and lithium isotopes serve as an effective tracer for this weathering process. However, the relations among weathering intensity, heavy metal migration, and Li isotope fractionation remain unclear. We conducted systematic examinations of a basalt weathering profile on tropical Hainan Island in China. The characteristics of mineralogy, elemental and Li isotopic geochemistry indicate that the profile has undergone changes from initial to advanced and ultimately extreme weathering stages. The corresponding dominant minerals are primary minerals, clay minerals such as kaolin-group, and the Al–Fe–Ti (hydro)oxides. The variations of Fe-group heavy metals within the profile are very similarly to that of Fe, exhibiting a pattern of loss-gain-loss. Newly formed secondary minerals preferentially incorporate lighter 6Li, leading to a gradual increase in Li content and a decrease in δ7Li. Due to the high δ7Li value of rainwater input, the ongoing impact of secondary mineral adsorption is partially counteracted. This results in the δ7Li of laterite and topsoil being maintained within a narrow range (−3.2‰ ∼ −1.9‰), despite the broader variation observed across the entire profile (−3.2‰ ∼ +2.8‰). Comparing basalt weathering profiles in different climatic zones reveals a very complex Li isotope behavior and its controlling factors. Therefore, it is essential to carefully evaluate the influence of atmospheric input, secondary mineral adsorption, dissolution, and redeposition processes on Li isotopes. Throughout the entire profile, Cr, Ni, and Cu exhibit enrichment relative to soil background values, indicating that the weathering of tropical basalt may pose potential environmental risks for these elements.

Inverted Glasses As Ductile Lithium Ion Conductors for Solid State Batteries

Inorganic electrolytes for solid state batteries with Li metallic anodes must combine properties such as high ionic conductivity, chemical stability, and resistance to failure due to propagation of Li dendrites. Abundance of experimental evidence suggests that cracking of the solid electrolytes due to pressure exerted by lithium plating into the material defects is the primary source of failure [1]. This is due to inherent brittleness of the ceramic ionic conductors, i.e. their inability to reduce stress by means other than fracture. Unlike ceramics, plastic deformation in glass can be achieved via shear and (or) by densification. Both mechanisms can be operational in glasses with reduced content of glass formers relative to the content of glass modifiers – i.e. inverted glasses. Using the example of lithium phosphorous oxynitride, Lipon, we demonstrate how these two mechanisms are capable of accommodating applied stress while avoiding creation of new surfaces by cracking. We investigate the resistance to fracture in Lipon-like glasses and the underlying connection to their composition via instrumented nano-indentation, Raman spectroscopy, and numerical simulations. We observe enhancement of isochoric shear with increase of Li content, similarly to the reports of increased plasticity in sodium aluminoborate glases with high alkali content [2]. Nano-indentation demonstrates that Lipon is extremely resistant to fracture, compared to other inorganic solid electrolytes [3].[1] Porz, T. Swamy, B.W. Sheldon, D. Rettenwander, T. Fromling, H.L. Thaman, S. Berendts, R. Uecker, W.C. Carter, Y.-M. Chiang, Mechanism of lithium metal penetration through inorganic solid electrolytes. Adv. Energy Mater. 7, 1701003 (2017)[2] Sellappan, T. Rouxel, F. Celarie, E. Becker, P. Houizot, R. Conradt, Composition dependence of indentation deformation and indentation cracking in glass. Acta Mater. 61, 5949–5965 (2013)[3] Kalnaus, A. Westover, M. Kornbluth, E.J. Herbert, N.J. Dudney, Resistance to fracture in the glassy solid electrolyte Lipon. J. Mater. Research, 36, 787-795 (2021)

First‐Principles Calculation of Elastic Properties in LixZn1−xO:Nd3+ Mechanoluminescence Material

AbstractIn this study, the elastic properties of the newly discovered mechanoluminescence (ML) material LixZn1−xO:Nd3+ are investigated by first‐principles calculations. The elastic properties such as Young's modulus, bulk modulus, and shear modulus are calculated from the elastic tensor. As a result of investigating the phase stability of LixZn1−xO:Nd3+, it indicates that the wurtzite ZnO phase is stable in the Li additive range of 0 ≤ x ≤ 0.44, and an excess addition caused a structural transition to the h‐BN structure. Besides, elastic properties, such as Young's modulus, bulk modulus, and shear modulus of LixZn1−xO:Nd3+ are decreased with increasing Li concentration in the examined range of 0 ≤ x ≤ 0.44. Furthermore, it reveals from bonding analysis between cation and anion that the bonding strength of Li─O bonding for the covalent bonding is weaker than that of Zn─O bonding. The elastic softening derives from atomic interaction in the covalent bonding. Therefore, it concludes that elastic softening is promoted by the increase in Li─O bonding with weak covalent bonding as the Li concentration increases.

Effect of Li Doping on Structural, Optical, and Optoelectrical Characteristics of ZnSnO3 Thin Films Prepared by Nebulizer Spray Pyrolysis

In this work, ZnSnO3 (ZTO3) and Li-doped ZTO3 thin films were synthesized on glass slides by a cost-effective nebulizer spray pyrolysis procedure. The X-ray diffraction analysis revealed that the ZTO3 and Li-doped ZTO3 thin films possessed a rhombohedral structure. The structural indices (grain size, dislocation density, lattice strain) of the ZTO3 and Li-doped ZTO3 thin films were computed. The morphology characteristics of the ZTO3 and Li-doped ZTO3 thin films were observed by field emission scanning electron microscopy. The inspected films display uniform and homogeneous surfaces. The optical transmittance, T, and reflectance, R, of the ZTO3 and Li-doped ZTO3 thin films were recorded using a double-beam spectrophotometer to investigate the optical characteristics of these layers. The refractive index of the ZTO3 and Li-doped ZTO3 thin films was enhanced via the Li content increase. Moreover, Tauc’s plots demonstrated that the energy gap of the ZTO3 and Li-doped ZTO3 thin films was reduced from 3.85 eV to 3.08 eV by boosting the Li doping content. Moreover, the increase in Li content produces an enhancement in the optoelectrical indices (optical resistivity, optical carrier concentration, optical mobility, plasms frequency, and optical conductivity) of the ZTO3 and Li-doped ZTO3 thin films. The nonlinear optical indices of the ZTO3 and Li-doped ZTO3 thin films were deduced, and it was noted that Li content boosted the nonlinear optical indices of these layers. All the ZTO3 and Li-doped ZTO3 thin films displayed n-type semiconducting properties by the hot probe equipment.

From wide band gap semiconductor to visible light responsive material: The role of Li in K2PdO2

The study used Density Functional Theory (DFT) first-principles calculations to analyze the impact of lithium insertion on K2PdO2, a wide band gap semiconductor with limited absorption in visible electromagnetic radiation. The results showed that Li insertion is a promising method to enhance the absorption behavior of these materials. Both pristine and doped compounds displayed negative formation energies, confirming their structural and thermodynamic stability. The electronic band structure and Density of States plots indicated the semiconducting nature of all three compounds, with the band gap decreasing from 2.29 eV to 1.69 eV upon doping. The rise in refractive index with increasing Li content indicates an increase in charge, leading to polarization and reduced light velocity. Optical conductivity increased beyond the band gap values, indicating the material’s responsiveness to visible electromagnetic radiation. Moreover, the thermoelectric response makes K2PdO2 as best candidate for different thermoelectric devices.

Developing Zn-2Cu-xLi (x < 0.1 wt %) alloys with suitable mechanical properties, degradation behaviors and cytocompatibility for vascular stents

Biodegradable Zn alloys show great potential for vascular stents due to their moderate degradation rates and acceptable biocompatibility. However, the poor mechanical properties limit their applications. In this study, low alloyed Zn-2Cu-xLi (x = 0.004, 0.01, 0.07 wt %) alloys with favorable mechanical properties were developed. The microstructure consists of fine equiaxed η-Zn grains, micron, submicron-sized and coherent nano ε-CuZn4 phases. The introduced Li exists as a solute in the η-Zn matrix and ε-CuZn4 phase, and results in the increase of ε-CuZn4 volume fraction, the refinement of grains and more uniform distribution of grain sizes. As Li content increases, the strength of alloys is dramatically improved by grain boundary strengthening, precipitate strengthening of ε-CuZn4 and solid solution strengthening of Li. Zn-2Cu-0.07Li alloy has the optimal mechanical properties with a tensile yield strength of 321.8 MPa, ultimate tensile strength of 362.3 MPa and fracture elongation of 28.0 %, exceeding the benchmark of stents. It also has favorable mechanical property stability, weak tension compression yield asymmetry and strain rate sensitivity. It exhibits uniform degradation and a little improved degradation rate of 89.5 μm∙year−1, due to the improved electrochemical activity by increased ε-CuZn4 volume fraction, and generates Li2CO3 and LiOH. It shows favorable cytocompatibility without adverse influence on endothelial cell viability by trace Li+. The fabricated microtubes show favorable mechanical properties, and stents exhibit an average radial strength of 118 kPa. The present study indicates that Zn-2Cu-0.07Li alloy is a potential and promising candidate for vascular stent applications. Statement of significanceZn alloys are promising candidates for biodegradable vascular stents. However, improving their mechanical properties is challenging. Combining the advantages of Cu and trace Li, Zn-2Cu-xLi (x < 0.1 wt %) alloys were developed for stents. As Li increases, the strength of alloys is dramatically improved by refined grains, increased volume fraction of ε-CuZn4 and solid solution of Li. Zn-2Cu-0.07Li alloy exhibits a TYS exceeding 320 MPa, UTS exceeding 360 MPa and fracture EL of nearly 30 %. It shows favorable mechanical stability, degradation behaviors and cytocompatibility. The alloy was fabricated into microtubes and stents for mechanical property tests to verify application feasibility for the first time. This indicates that Zn-2Cu-0.07Li alloy has great potential for vascular stent applications.

Lithium occurrences and enrichment of granite regolith-hosted Li deposits in Jiangxi Province, South China: An example of the Xikeng Li deposit

The muscovite granite regolith in Jiangxi Province, with thickness up to 30 m, exhibits significant lithium (Li) enrichment, which holds promising potential as an economically viable alternative source of Li. However, host minerals and enrichment mechanism of Li in such regolith are poorly understood. Herein, mineralogy and geochemistry of the Xikeng granite-hosted regolith Li deposit were investigated. The studied regolith has Li2O grade up to 1.0 wt%, which showcases an approximately twofold increase in Li content compared to that found in the bedrock. Enrichment of Li in the parent granite facilitates the formation of granite regolith-hostedLi deposits. The dominant minerals observed in the studied weathering profile are derived from the parent granite through inheritance and/or transformation. The incipient stage of weathering is characterized by dissolution of K-feldspar and plagioclase and accumulation of quartz and muscovite, whereas the subsequent stage of weathering is characterized by the development of clay minerals, particularly kaolinite. The predominant reservoir for Li in the regolith is proposed to be the residual muscovite, as suggested by positive correlation between Li concentrations and muscovite content, a dominance of over 90 % in the residual phase compared to other phases from the extraction experiment, and element mapping. Adsorption of kaolinite formed through the weathering of muscovite is insufficient to effectively retain released Li, resulting in its loss with fluids. The deficiency of Li enrichment in the upper part of regolith can be attributed to this factor. The central part of regolith exhibits the most important enrichment, characterized by absence of feldspars, presence of minor clay minerals, and massive gathering of muscovite without obviously chemical weathering. This study provides confirmation that granite regolith represents a commercially viable Li resource.

The precipitation and corrosion behaviour of cast Al–Mg–(0.7, 1.3) Li–Cu alloys

Achieving the development of ultra-light Al–Li alloys with high strength and excellent corrosion resistance is always a challenge. In this study, the precipitation characteristics and electrochemical corrosion behaviours after isothermal aging of cast Al–Li alloys with two different Li contents were comparatively analysed. The results showed that the increase in Li content from 0.7 wt-% to 1.3 wt-% retarded the peak hardening and improved the Al–Li alloy hardness and strength by promoting the precipitation of the S′ (Al2CuMg) and T1 (Al2CuLi) phases. Besides, the galvanic coupling corrosion of the alloying element Cu with the aluminium matrix was reduced by more Li addition, thus improving the corrosion resistance of the alloy.

Influence of Li concentration on structural, morphological and electrochemical properties of anatase-TiO2 nanoparticles

Lithium-doped anatase-TiO2 nanoparticles (LixTi1-xO2 NPs, x = 0, 0.05, 0.10, 0.15 and 0.20) could be synthesized by a simple sol–gel process. X-ray diffraction (XRD) results displayed the tetragonal (space group: I41/amd) of polycrystalline TiO2 anatase phase. The spectroscopy results of Raman and FT-IR confirmed the anatase phase of TiO2 through the specific modes of metal oxides vibration in the crystalline TiO2. Surfaces micrographs by scanning electron microscope (SEM) of agglomerated LixTi1-xO2 NPs showed a spongy like morphology. Transmission electron microscope (TEM) illustrated a cuboidal shape of dispersed NPs with particle size distributed in a narrow range 5–10 nm. Bruanauer Emmett-Teller (BET) results showed the increased surface area of LixTi1−xO2 NPs with increasing Li content. LixTi1-xO2 NPs (x = 0.05–0.20) working electrodes illustrated a pseudocapacitive behavior with excellent electrochemical properties through the whole cycles of GCD test. Interestingly, Li0.1Ti0.9O2 NPs electrode illustrated a high performance in terms of maximum specific capacitance 822 F g−1 at 1.5 A g−1 in 0.5 M Li2SO4 electrolyte, with excellent capacitive retention 92.6% after 5000 cycles GCD test.

Improved ductility of hot extruded Mg-0.5Zn-0.5Zr-1RE alloy by Li addition

Mechanical properties of lean Mg-xLi-1RE-0.5Zn-0.5Zr alloys after hot working by the extrusion process were systematically investigated. By increasing Li content, the coarsening of the dynamic recrystallization (DRX) grain size (D) was recorded. This was ascribed to the decrease of the solidus temperature (TSolidus) by increasing Li content, and hence, the increase of the homologous temperature during hot deformation (T/TSolidus). As a result, the tensile yield stress (TYS), ultimate tensile strength (UTS), compressive yield stress (CYS), and ultimate compressive strength (UCS) decreased by increasing Li content. Accordingly, the Hall-Petch relationships of TYS = 145.8 + 69/√D and CYS = 69.3 + 100/√D were proposed, where TYS, CYS, and D are expressed in MPa, MPa, and μm, respectively. However, total elongation in the tension test and fracture strain in the compression test were significantly improved and the crystallographic texture intensity decreased by increasing the Li content. These improvements were found to be quite beneficial for overcoming and breaking the strength–ductility trade-off. The mechanical behavior of these alloys was compared to other competitive alloys for lightweight applications.

Catalytic upgrading of Naomaohu coal pyrolysis volatiles over NiAl and NiLiAl oxides

Catalytic upgrading of volatiles is an essential technology to improve the product distribution of pyrolysis for the clean and efficient utilization of low-rank coals. In this work, novel acid-base bifunctional catalysts composed of Ni/Li/Al oxides were designed and prepared using LDH precursors with tunable chemical composition and structural properties. The catalysts were systematically characterized by X-ray diffraction (XRD), thermogravimetric analysis (TGA), physisorption, NH3-temperature programmed desorption (NH3-TPD), CO2-temperature programmed desorption (CO2-TPD), H2-temperature programmed reduction (H2-TPR), and scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS). A two-stage fixed bed reactor was employed to evaluate the performance of the catalysts. Characterization results suggest that the crystal size of NiO and the surface area of the catalyst decreased with increasing Li content and decreasing Ni content in the catalyst, while the pore volume and pore diameter were positively correlated with Li content. Moreover, the addition of Li reduced the amount of weak acid sites and raised the amount of total basic sites. Consequently, the bifunctional catalysts boosted the yield of light tar and the contents of aromatics and phenols in tar. Specifically, with the highest total acid sites (569 μmol/g) promoting the cracking of heavy pitch components, Ni2.5Li0.5Al1 decreased the content of pitch in tar to 23.8 wt%, representing a 42.7 % drop from the corresponding non-catalytic pyrolysis. Accordingly, it improved the light tar yield to 7.2 wt%, which was 18 % higher than non-catalytic pyrolysis. 450 °C is identified as a suitable temperature for the catalytic upgrading of volatiles from Naomaohu coal; higher catalysis temperatures at 500 °C and 550 °C led to lower tar yield and lower phenols content, along with higher gas yield and more carbon deposition.

Lithium Toxicity in Lepidium sativum L. Seedlings: Exploring Li Accumulation’s Impact on Germination, Root Growth, and DNA Integrity

The predicted increase in demand for minor metals for modern technologies raises major concerns regarding potential environmental concentration increases. Among the minor metals, lithium (Li) is particularly noteworthy due to growing demand for battery production. Concerns have been raised about the impact on biota of increasing Li concentrations in the environment. To expand the knowledge of the effects of Li on plants, garden cress (Lepidium sativum L.), a model plant for ecotoxicity assay, was tested in a 72 h test in Petri plates. The results showed a stimulation effect of Li at the lowest concentration (Li chloride 10 mg L−1) on seed germination and primary root elongation. Conversely, higher Li concentrations (50 and 150 mg L−1) caused a progressive impairment in both parameters. A genotoxic effect of Li on root cells, evaluated through the alkaline comet assay, was observed at each concentration tested, particularly at 150 mg L−1 Li chloride. Elemental analysis showed that Li accumulated in the seedlings in a dose–concentration relationship, confirming its ability to be readily absorbed and accumulated in plants. Given the likely increase in Li levels in the environment, further research is required to clarify the toxicity mechanisms induced by Li on growth and nucleic acids.

The Influence of Aging Precipitates on the Mechanical Properties of Al–Li Alloys and Microstructural Analysis

In this work, the evolution of mechanical properties of binary Al–Li alloys with four approximately equal gradient Li contents (0.91–3.98 wt.%) under aging conditions is thoroughly investigated. The alloys undergo aging treatments at 175 °C for x hours (x = 0–120 h), and the peak-aged times of the four alloys are 6 h, 12 h, 48 h and 48 h, respectively, as the Li concentration increases. Both in the solution-treated and peak-aged states, the elastic modulus of binary Al–Li alloys exhibits an approximately linear increase with increasing Li content, consistent with trends predicted by density functional theory (DFT) calculations. Due to the presence of Al3Li precipitates, the modulus of higher-Li-concentration alloys in the peak-aged state increases by approximately 1.4–2.5% compared with that of alloys in the solution-treated state. Additionally, the study finds that increasing Li content significantly enhances the tensile strength and yield strength of the alloy but decreases its ductility, leading to a transition in fracture mode from ductile to brittle, as evidenced by a microscopic analysis of fracture surfaces. Under peak-aged (175 °C/48 h), the alloy with the highest Li content exhibits the maximum tensile strength of 341 MPa and a yield strength of 296 MPa, while its elongation is the lowest at 2.1%. These findings contribute to a deeper understanding of the effects of aging precipitates on the mechanical properties of Al–Li alloys, providing fundamental guidance for the design of future generations of Al–Li alloys.

Study on the Fabrication and Acoustic Properties of Near-Stoichiometric Lithium Tantalate Crystal Surface Acoustic Wave Filters

Near-stoichiometric lithium tantalate (NSLT) wafers with different Li contents were prepared by vapour transfer equilibrium (VTE) method and fabricated into surface acoustic wave filters. The temperature coefficient of frequency, insertion loss, and bandwidth of the surface acoustic wave filters were tested using a special chip test bench and a network analyzer. The results show that the temperature coefficient of frequency shows a trend of first decreasing and then increasing with the increase in Li content, and the temperature stability of the surface acoustic wave filters is best when the Li content is 49.75%. It is also found that the surface acoustic wave filter fabricated from NSLT wafers has 21.18% lower temperature coefficient of frequency, 7.3% lower insertion loss, and 2.8% lower bandwidth than those fabricated from congruent lithium tantalate wafers. Therefore, NSLT crystals are more suitable for applications in acoustic devices, providing a new idea for performance enhancement of 5G communication devices.

Biodegradable Zn–Mn–Li alloy with a promising balance of mechanical property and corrosion resistance

To address the current issues of brittleness and lower mechanical performance for Zn alloys, the Zn–Mn–Li system that has significant potential for enhancing strength and toughness is selected for the design, fabrication, and investigation. Li and Mn are selected as alloying elements, and a series of Zn-0.4Mn-xLi alloys are prepared. A comprehensive study of as-cast alloys is conducted on the microstructure, mechanical properties, and corrosion behavior. The results reveal that the initially precipitated β-LiZn4 phase in the as-cast Zn-0.4Mn-xLi alloys gradually transforms into a β-LiZn4/Zn lamellar structure with the increase of Li content. The β-LiZn4/Zn lamellar structure significantly contributes to the strength of the alloy. The as-cast Zn-0.4Mn-0.8Li alloy exhibits optimal mechanical strength, with yield strength and ultimate tensile strength of 203.2 ± 8.9 MPa and 271.5 ± 20.0 MPa, respectively. Electrochemical and immersion experiments indicate a dense Li-rich corrosion product layer formed on the alloy surface suppresses the generation of pitting corrosion and enhances the corrosion resistance of the alloy. These results manifest that the Li content of the Zn–Mn–Li alloy has a significant influence on the performance, such as the microstructure, mechanical properties, and corrosion behavior. According to the results of mechanical properties and corrosion behavior, Zn-0.4Mn-0.8Li alloy exhibits an optimal comprehensive performance, which provides valuable insight for the development of superior Zn–Mn–Li alloys.

Effects of Li addition on the properties of biodegradable Zn–Fe–Li alloy: Microstructure, mechanical properties, corrosion behavior, and cytocompatibility

Biodegradable Zn-based alloys have excellent mechanical properties, a good corrosion rate, and favorable biocompatibility, which have broad application prospects. In this study, new biodegradable Zn-0.5Fe-xLi (x = 0, 0.2, 0.5, 0.8 wt%) alloys were successively prepared by melting and hot extrusion, and the effects of Li content on the microstructure, mechanical properties, corrosion behavior, and biocompatibility of the alloys were investigated. The formation of FeZn13 and eutectic LiZn4 phases in the Zn-0.5Fe-xLi alloys and the grain size of the Zn-0.5Fe-0.5Li alloys significantly reduced with an increase in Li content. The synergistic effect of solid solution and grain refinement of Li significantly improved the strength of the Zn-0.5Fe-0.5Li alloy and ensured the ductility of the alloy, which resulted in its optimum overall performance. The yield strength was 353.6 ± 6.8 MPa, the ultimate tensile strength was 441.9 ± 2.6 MPa, and the elongation was 26.8 ± 0.8%. In addition, the Zn-0.5Fe-0.5Li alloy showed excellent corrosion properties. The electrochemical corrosion rate was 0.735 mm/year, and the surface corrosion degradation morphology was uniform after immersion. The Zn-0.5Fe-0.5Li alloy also demonstrated the most favorable in vitro cytocompatibility in cellular experiments. Overall, the extruded Zn-0.5Fe-0.5Li alloy is a promising biodegradable implant material with excellent mechanical properties, a suitable corrosion rate, and good cytocompatibility.

Ordering by cation replacement in the system Na2-xLixGa7.

Samples of the pseudo-binary system Na2-xLixGa7 (x ≤ 1) were synthesized from the elements at 300 °C in sealed Ta ampoules or by the reaction of Na2Ga7 with LiCl. The peritectic formation temperature decreases with increasing Li content from 501(2) °C (x = 0) to 489(2) °C (x = 1). The boundary compositions Na2Ga7 and Na1Li1Ga7 crystallize with different structure types related by a group-subgroup relation. While the Na-rich compositions (x ≤ 0.5) represent a substitutional solid solution (space group Pnma), the Li-rich compositions feature an unconventional replacement mechanism in which Li atoms occupying interstitial positions induce vancancies at the Na positions (space group Cmce). The crystal structure of Na1Li1Ga7 (a = 8.562(1) Å, b = 14.822(2) Å, c = 11.454(2) Å; Z = 8) was determined from X-ray single-crystal diffraction data, and reveals an anionic framework comprising 12-bonded Ga12 icosahedra and 4-bonded Ga atoms, with alkali-metal atoms occupying channels and cavities. The arrangement of cations makes NaLiGa7 a new structure type within the MgB12Si2 structure family. Band structure calculations for the composition NaLiGa7 predict semiconducting behavior consistent with the balance [Na+]2[Li+]2[(Ga12)2-][Ga-]2, considering closo Wade clusters [(12b)Ga12]2- and Zintl anions [(4b)Ga]-. Susceptibility measurements indicate temperature-independent diamagnetic behavior.

Lithiation of phosphorus at the nanoscale: a computational study of LinPm clusters.

Systematic structure prediction of LinPm nanoclusters was performed for a wide range of compositions (0 ≤ n ≤ 10, 0 ≤ m ≤ 20) using the evolutionary global optimization algorithm USPEX coupled with density functional calculations. With increasing Li concentration, the number of P-P bonds in the cluster reduces and the phosphorus backbone undergoes the following transformations: elongated tubular → multi-fragment (with mainly P5 rings and P7 cages) → cyclic topology → branched topology → P-P dumbbells → isolated P ions. By applying several stability criteria, we determined the most favorable LinPm clusters and found that they are located in the compositional area between m ≈ n/3 and m ≈ n/3 + 6. For instance, the Li3P7 cluster has the highest stability and is known to be the structural basis of the corresponding bulk crystal. The obtained results provide valuable insights into the lithiation mechanism of nanoscale phosphorus which is of interest for development of novel phosphorus-based anode materials.