Bi Content Research Articles

Genesis of high-grade lode gold shoot dominated by ore fluid overprinting during a ductile-brittle shear event

Lode gold deposits hosted by ductile-brittle shear zones account for more than one-third of the world’s gold production. High-grade ore shoots from this type of deposit are the most critical exploration targets. The ore shoots can form through the post-depositional deformation of auriferous sulfides or overprinting of ore fluids accompanied by coupled dissolution-reprecipitation (CDR) reactions. However, the mechanism that dominates ore shoot genesis remains unknown, primarily due to the controversial single progressive or polyphase nature of ore-bearing shear zones. Here, we report on geological and geochemical analyses we conducted at the large Hetai goldfield, South China, to construct an accurate gold upgrading model for the formation of ore shoots. Stages 1−3 of mineralization at Hetai show features typical of ductile shearing, while Stage 4 is characterized by quartz-sulfide veinlets in brittle fractures. 40Ar/39Ar ages of ca. 184 Ma and 157 Ma for the mineralization of stages 1 and 4 overlap with the regionally dextral ductile-brittle shear that occurred during ca. 210−162 Ma. Thus, the gold event at Hetai should have been controlled by a single progressive ductile-brittle shear episode, rather than polyphase structural events. The auriferous fluids at Hetai precipitated minor invisible gold in pyrites (mean 0.173 ppm) produced during stages 1−4 through fluid-rock interaction. The systematic increase of elements Au, As, Sb, Bi, Ag, and Cu and δ34S values in ductile-deformed pyrites from stages 1−3 indicate that early invisible gold upgrading should be the result of the post-depositional remobilization of auriferous sulfides during the long-lived ductile-brittle transition. Cataclastic pyrites hosting invisible gold from Stage 4 have zoned and porous mantles with elevated invisible gold (mean 0.503 ppm) and Sb, Bi, Pb, Co, Ni, and Ti contents. These pyrites are further replaced by chalcopyrite and pyrrhotite with increasing invisible gold, Co, and Ni contents. In addition, numerous visible native gold grains in Stage 4 are included in sulfides formed by replacement and develop along the microfractures and grain boundaries of these sulfides. We suggest the late invisible and visible gold upgrading events in Stage 4 can be attributed to the auriferous fluid superposition and subsequent replacement of pyrite via CDR reactions in a brittle regime. Therefore, the gold upgrading process at Hetai is jointly caused by the early remobilization induced by ductile-brittle deformation and the late ore fluid superposition with accompanying CDR reactions within a brittle domain. As the ore fluid superposition and CDR reactions in Stage 4 produce a significant amount of visible gold, they exert a first-order control on the genesis of ore shoots at Hetai. The refined model may be widely applicable to lode gold deposits elsewhere and can be used to identify regions with promising exploration targets.

Structural Modifications due to Bi-Doping in MAPbBr3 Single Crystals and Their Impact on Electronic Transport and Stability.

Doping strategy in lead halide perovskites is essential to enhance its optoelectrical properties and expand the potential applications. In this work, the mechanisms, for how dopants affect the overall structural, optical, electrical, and chemical properties and stability of lead halide perovskite materials, are investigated. This is done by specifically considering various bismuth (Bi)doping concentrations in MAPbBr3 single crystals grown using the inverse temperature crystallization method. The resultant doped single crystals exhibit a saturation point when Bi concentration exceeds 0.063% which is considered an optimum doping point. The highest thermal stability is also achieved at this doping concentration among the doped single crystals. This study clearly identifies how Bi doping affects the properties of MAPbBr3 and extends to consider stability, which has not been fully considered for MA-based perovskites previously. This will provide a clear understanding of evaluating doped perovskite materials for enhanced material properties, device performance, and stability.

The Effect of Bi Addition on the Electromigration Properties of Sn-3.0Ag-0.5Cu Lead-Free Solder

As electronic packaging technology advances towards miniaturization and integration, the issue of electromigration (EM) in lead-free solder joints has become a significant factor affecting solder joint reliability. In this study, a Sn-3.0Ag-0.5Cu (SAC305) alloy was used as the base, and different Bi content alloys, SAC305-xBi (x = 0, 0.5, 0.75, 1.0 wt.%), were prepared for tensile strength, hardness, and wetting tests. Copper wire was used to prepare EM test samples, which were subjected to EM tests at a current density of approximately 0.6 × 104 A/cm2 for varying durations. The interface microstructure of the SAC305-xBi alloys after the EM test was observed using an optical microscope. The results showed that the 0.5 wt.% Bi alloy exhibited the highest ultimate tensile strength and microhardness, improving by 33.3% and 11.8% compared to SAC305, respectively, with similar fracture strain. This alloy also displayed enhanced wettability. EM tests revealed the formation of Cu6Sn5 and Cu3Sn intermetallic compounds (IMCs) at both the cathode and anode interfaces of the solder alloy. The addition of Bi inhibited the diffusion rate of Sn in Cu6Sn5, resulting in similar total IMC thickness at the anode interface across different Bi contents under the same test conditions. However, the total IMC thickness at the cathode interface decreased and stabilized with increasing EM time, with the SAC305-0.75Bi alloy demonstrating the best resistance to EM.

Effect of Trace Bismuth on Deformation Behavior of Ultrahigh-Purity Copper during Hot Compression

The effect of trace Bi impurities on the flow stress, microstructure evolution, and dynamic recrystallization (DRX) of the ultrahigh-purity copper was systematically investigated by a hot compression test at 600 °C. The results show that the peak stress of the ultrahigh-purity copper gradually decreases with increasing Bi content. Trace Bi impurities can refine the microstructure of ultrahigh-purity copper. However, the refinement effect of 50 wt ppm Bi is much more significant than that of 140 wt ppm Bi during the hot deformation. This effect is ascribed to the higher concentration of Bi at GBs, which induces severe GB cracks that reduces the driving force for the nucleation of DRX grains. In addition, the introduction of Bi inhibits the DRX of the ultrahigh-purity copper and transforms its DRX process from the discontinuous dynamic recrystallization (DDRX) to the coexistence of DDRX and continuous dynamic recrystallization (CDRX) mechanisms.

Bismuth-doping Induced Enhanced Humidity Sensing Properties of Spinel NiFe2O4 Nanoparticles

Bi-doped NiFe2O4 nanoparticles were tested for humidity detection at various RH levels at room temperature. The findings indicated that sensors with higher Bi concentrations, particularly the ones with 20 % Bi doping, showed significantly enhanced sensing response—up to 97 %, a sixfold increase compared to undoped sensors. This significant improvement suggests that Bi contributes to synergistic effects that boost sensor performance. Density Functional Theory (DFT) calculations support this by showing that Bi introduces acceptor electronic states, heightening electrical responsiveness to moisture. These Bi-doped sensors exhibit quick response times, high accuracy, negligible hysteresis, and impressive stability, making them promising candidates for reliable humidity detection.

Contribution of bismuth melts to gold endowment in the Baolun gold deposit, Hainan Island, South China

Bismuth (Bi) melts and related polymetallic alloys can efficiently scavenge gold (Au) from Au-unsaturated aqueous solutions, contributing to the Au endowment in many hydrothermal deposits. However, original evidence for Au–Bi melts is often poorly preserved due to post-precipitation alteration. This complicates investigation of the liquid bismuth collector model in hydrothermal Au deposits. Here we present primary evidence for the occurrence of Au–Bi melt in hydrothermal systems through an examination of the Au–Bi phases and textures in the Baolun Au deposit (Hainan Island). This study found that maldonite, native bismuth, Au–Bi symplectite and Au–Bi melt blebs appeared successively following the precipitation of native gold. Notably, large Au–Bi melt blebs were well preserved in natural systems due to the rapid cooling of fluids. The mineral assemblages and their corresponding fluid physiochemical conditions suggest that the evolution of the ore fluids at Baolun was characterized by a continuous reduction in Au and Bi concentrations and Au/Bi ratios alongside decreasing fluid temperatures and sulfur fugacity (fS2). These observations offer direct evidence for Au scavenging by Bi melts in a mesothermal (275–450 °C), low-fS2 and reduced hydrothermal system, aligning well with the Au–Bi binary phase evolution established in metallurgy. As the fluid cooled further, the Au–Bi phases were subsequently overprinted by later Te–S-rich fluids, as evidenced by the formation of bismuthinite, jonassonite, and joséite-A around the Au–Bi phases. Importantly, our study reveals that the Baolun Au deposit ischaracterizedby a Au–Bi–Te hydrothermal system and that the metamorphic country rocks at Baolun are the major source of Au, Bi, and Te.

Thermal hysteresis in the structural, magnetic and transport properties of hard magnetic MnBi films

In this work, the magnetic and transport properties associated with structural changes in MnBi hard magnetic films, with different Bi concentrations, were detailed. Two particular temperature regimes were studied. In the first place, at temperatures close to and below 260 °C (melting temperature of Bi in the samples) the resistance of the MnBi films underwent strong changes, showing thermal hysteresis, and depending on the amount of Bi in the samples. Thus, these resistance changes were attributed to the presence of unalloyed Bi in the samples. The maximum value ​​of the relative change of resistance, ΔRI/R(T2) (where ΔRI=R(T1)-R(T2) being T1 and T2 the temperatures just immediately below and above the structural transition) was around 180 % for the sample with the highest Bi concentration. Second, at temperatures above 260 °C, both the magnetic moment and the resistance of the samples also showed significant changes around the transition from the Low Temperature (α-MnBi) to the High Temperature (β-MnBi) phase. These changes, which were attributed to this structural transition, also presented thermal hysteresis and also depended on the Bi concentration of the samples. However, contrary to the previous situation, the samples with the lowest amount of unalloyed Bi, and consequently with the highest value of the MnBi volume fraction presented a maximum value of the ΔRII/R(T4) ratio, (where ΔRII=R(T3)-R(T4) being T3 and T4 the temperatures immediately above and below the structural transition from the β to the α MnBi phase) this magnitude reaching a maximum value of 25 % for the sample with the lowest Bi content.

A novel strategy for modeling composition-/temperature-dependent viscosity in multicomponent melts: Mg-Al-Zn-Sn-Bi as a test case

A viscosity model based on CALPHAD principles, considering the influences of associates in multicomponent melts, was developed. A strategy for determining CALPHAD-type viscosity parameters in systems lacking experimental data was proposed, which combines the Kozlov-Romanov-Petrov model and thermodynamic descriptions. This model and strategy were applied to analyze viscosities in Mg-Al-Zn-Sn-Bi melts. The viscosity expressions of pure melts were initially assessed based on the available experimental data. Subsequently, the Arrhenius viscosities of Mg3Bi2, Mg2Sn, and MgZn2 associates were determined by integrating thermal-physical properties into Kaptay equation. Viscosity parameters for 10 sub-binary and sub-ternary systems within Mg-Al-Zn-Sn-Bi system were examined. A comparison between predicted and measured viscosities confirmed the accuracy of the model. Isothermal viscosities in all sub-ternary melts were calculated to assess the impact of alloying elements on viscosity. Additionally, viscosities in AZ91 alloys with Bi and Sn additions were predicted, demonstrating an increase in viscosity with higher Bi or Sn content.

Optimizing the thermoelectric performance of Bi-Sb-Te thin films through compositional engineering

The objective of the present investigation was to systematically investigate the structural and thermoelectric (TE) properties of BixSb2-xTe3 thin films with varying content of Bi. We investigated the impact of different atomic percentages of Bi (4, 6, 8 at. %) on the properties of carrier transport and TE performance. In general, the Seebeck coefficient remained consistent across the thin films. For the 8 at. % Bi thin film, the Seebeck coefficient and electrical conductivity were measured at 230 μV/K and 730 S/cm, respectively, at room temperature. These values were more than 20 times greater than the electrical conductivity observed in the thin films with compositions of 6 and 4 at. % Bi. As a result, the Bi-Sb-Te compound exhibited a TE power factor (PF) of 38x10−4 W/mK2 at 40 °C, surpassing the PFs observed in previous compositions. The analysis of surface microstructure, combined with atomic force microscopy and Kelvin probe microscopy images, revealed that the transport of carriers in films with high Bi content was impeded by the size of particles and scattering sites. On the other hand, an augmentation in Bi content promoted the transfer of charge through crystalline regions, hence improving the mobility of carriers and the total electrical conductivity. The aforementioned results emphasize the significant influence of Bi content on the electrical properties of semiconductors and demonstrate the effectiveness of compositional engineering based on Bi content in the development of TE materials with superior performance. The present study investigates the influence of Bi content on the electrical properties of Bi-Sb-Te thin films, demonstrating that compositional adjustments based on Bi content can impact the performance of TE materials. These findings contribute to the understanding of material optimization in the field of TE.

A good balance between the efficiency of ionizing radiation shielding and mechanical performance of various tin-based alloys: Comparative analysis

The Sn-Bix (x = 30, 40, 50, 60 and 70%) radiation shielding alloys were prepared using a melting process of the alloying material in a ceramic crucible at 200 °C for 120 min. The structural characterization for synthesized samples was carried out using X-ray Diffraction technique (XRD). The hardness and elastic properties of the prepared alloys was measured using micro-indentation creep technology and tensile test machine respectively. XRD pattern indicated that that the crystal size of Sn phase is lowered by increasing Bi concentration in the Sn matrix. The hardness decreases as the dwell time increases. The hardness values and elastic properties (in terms of young modulus) were significantly improved due to the decrease in the crystallite size by increasing Bi content. The stress exponent (n) value increase by increasing Bi content which mean that the mechanical properties improved due to increment of resistance. Furthermore, the produced alloys' nuclear shielding ability was investigated. The μm values were calculated using MCNP simulation code and XCOM software over a broad energy range of 0.015 MeV–15 MeV with good agreement between them. Several characteristics are estimated in order to properly understand the researched alloy's radiation and properties of neutron shielding. The findings showed that a higher Bi concentration causes the crystal size to decrease, improving the radiation shielding and mechanical qualities. The alloy Sn-70% Bi has a maximum increase of vicker hardness, tensile strength, and young's modulus. The findings of the shielding parameters indicate that the alloys under study are efficient gamma shielding materials in contrast to other typical shielding materials and materials that have been examined recently. The highest mechanical efficiency and rather strong gamma-ray shielding capabilities are found in the Sn–70Bi alloy. Owing to its ability to effectively balance mechanical performance and shielding, the Sn–70Bi are approved for use in radiation protection. In addition, when compared to all other manufactured alloys, typical neutron shielding materials, and recently investigated materials, the results further demonstrate that the Sn–70Bi alloy has the best neutron attenuation capability. Furthermore, in terms of mass stopping power (MSP) and projected range (PR), the Sn–70Bi alloy demonstrates the most effective attenuation for alpha particles (He+2) and protons (H+1). These results imply that the Sn–70Bi alloy provide superior mechanical performance and nuclear shielding for a range of applications including industrial, medicinal, and nuclear waste storage in the future.

Electrodeposition of bismuth, tellurium and bismuth telluride through sub-10 nm mesoporous silica thin films

Templated electrodeposition is an efficient technique for the bottom-up fabrication of nanostructures and can effectively control the size and shape of the electrodeposits. Here, mesoporous silica thin films with highly ordered mesopores and a regular three-dimensional mesostructure were synthesised as templates for electrodeposition. The mesoporous silica films have small mesopores (∼8 nm) and complex mesopore channels (Fmmm mesostructure with the [0 1 0] axis perpendicular to the substrate). Electrodeposition of bismuth, tellurium and bismuth-tellurium was investigated from electrolytes containing [NnBu4][BiCl4], [NnBu4]2[TeCl6] and [NnBu4]Cl dissolved in dry dichloromethane. Top-view SEM images showed Bi, Te and Bi doped-Te nanoparticles in the mesopores and cross-section SEM showed there were a few Te nanowires, in addition to the particle aggregations on the surface. This is a promising observation as it demonstrates the possibility of preparing sub-10 nm nanowires by templated electrodeposition even though the deposits are not uniformly electrodeposited in all the mesopores. EDX shows the deposited Bi-Te nanoparticles were tellurium-rich, XRD shows they were trigonal tellurium (ICSD 65692). A variety of parameters including the choice of pulsed electrodeposition conditions and [NnBu4][BiCl4] concentration (2.25 mM and 3 mM) were investigated in order to control the composition of the deposit. All samples prepared by pulsed electrodeposition showed very low Bi:Te ratio (Bi/Te<0.02), whereas samples deposited for 5 min at −0.6 V achieved high Bi content (Bi/Te=0.49).

Bismuth Ordering and Optical Anisotropy in GaAsBi Alloys

Reflectance anisotropy spectroscopy (RAS) is applied to investigate GaAsBi samples grown by molecular beam epitaxy on (001)‐oriented GaAs substrates with GaAs or InGaAs buffer layers, resulting in nearly lattice‐matched or compressive strain conditions, with Bi concentration in the alloy in the range 2–5%. These new samples allow to bridge the gap in the Bi concentration values of previous RAS experiments (C. Goletti et al., Appl. Phys. Lett. 2022, 120, 031902), confirming the [110]‐polarized Bi‐related anisotropy in optical spectra below 3 eV and the linear dependence of its amplitude on Bi concentration. The characterization of the grown GaAsBi samples by X‐Ray diffraction and transmission electron microscopy clearly demonstrates the presence of CuPt‐like ordering in the bulk. CuPt structure is the primary origin of the optical anisotropy measured by RAS and by polarized photoluminescence, due to the anisotropic strain produced in the bulk crystal lattice. The lineshape of the RAS spectra above 3 eV, with its overall and characteristic positive convexity, confirms this conclusion.

Enhanced gamma-ray shielding capabilities of Bi-Se-Ge chalcogenide glasses: analytical and simulation insights

This study investigates the gamma-ray shielding properties of Bi-Se-Ge chalcogenide glasses using advanced computational tools. The Phy-X/PSD and FLUKA programs were utilized to determine critical shielding parameters such as linear attenuation coefficient ( GLAC ), mass attenuation coefficient ( GMAC ), half-value layer ( GHVL ), mean free path ( GMFP ), and effective atomic number ( Zeff ). Our findings reveal that these glasses exhibit superior shielding capabilities compared to traditional materials. For instance, the GMAC values for the glasses ranged from 101.472 cm2/g to 177.475 cm2/g at a photon energy of 0.015 MeV. Additionally, the GHVL values decreased significantly with increasing Bi content, from 4.082 cm to 3.104 cm at an energy level of 15 MeV. The effective atomic number ( Zeff ) also increased from 36.12 to 53.23 with higher Bi concentrations. These insights, derived from precise computational analysis, highlight the potential of Bi-Se-Ge glasses for applications in radiation protection. The discussion also examines the impact of substituting Bi atoms with Se on the shielding capabilities of the original Bi-Se-Ge glass.Future work will focus on experimental validation of these results to further substantiate our findings.

Two-episode mineralization in the Haerdaban Pb–Zn deposit, NW China: Insights from sulfide trace elements, in situ S–Pb isotopes, and Rb–Sr geochronology

The Haerdaban Pb–Zn deposit, located in the eastern West Tianshan Orogen, hosts stratiform and vein-type mineralization within Precambrian carbonate rocks. However, there has been limited research on the distinctions and relationships between these two mineralization styles. In this study, we compared trace element distributions, fluid conditions, material sources, and mineralization ages between stratiform and vein-type mineralization and reconstructed a detailed genetic model. Two episodes and four stages of mineralization were identified, including five generations of pyrite and two generations of sphalerite. The sedimentary exhalative episode represents stratiform mineralization including Stage I pyrite–pyrrhotite layers (Py-1, Py-2a, Py-2b, and Py-3) and Stage II sphalerite–galena layers (Sph-1). The magmatic–hydrothermal episode represents vein-type mineralization including Stage III pyrite–quartz–calcite veins (Py-4) and Stage IV sphalerite–galena–quartz–calcite veins (Sph-2). LA–ICP–MS analysis of Se–Co–Ni–As–Ag–Sb–Bi contents in pyrite suggests that Py-1 to Py-3 formed under relatively low temperatures (280 ± 8 °C) and high ƒO2 sedimentary conditions. Py-4 formed under relatively high temperatures (339 ± 18 °C) and low ƒO2 hydrothermal conditions. Variations in Fe–Mn–In–Ga–Ge–Cd–Cu contents in sphalerite indicate that Sph-1 formed under relatively low temperature (211 ± 7 °C), intermediate ƒS2 (logƒS2 = −11.1 ± 0.5), and moderate pH sedimentary exhalative conditions. Sph-2 formed under relatively high temperature (292 ± 5 °C), high ƒS2 (logƒS2 = −7.4 ± 0.2), and low pH hydrothermal conditions. In situ analysis of sulfide S–Pb suggests that ore-forming materials for stratiform mineralization were primarily derived from marine sediments, while those for vein-type mineralization primarily originated from magmatic sources. Sph-1 from stratiform mineralization yielded an Rb–Sr isochron age of 719 ± 16 Ma, while Sph-2 from vein-type mineralization exhibited an Rb–Sr isochron age of 380.3 ± 7.7 Ma. Random Forest classification of trace elements in pyrite and sphalerite predicted that stratiform mineralization is of sedimentary genesis, whereas vein-type mineralization is of magmatic–hydrothermal genesis. Based on our results, we identified a two-episode mineralization history for the Haerdaban Pb–Zn deposit: Neoproterozoic syngenetic sedimentary exhalative mineralization overprinted by Devonian epigenetic magmatic–hydrothermal mineralization. The results of this study highlight the importance of considering multiple geological events in ore-forming processes and will facilitate the exploration of similar deposits in the West Tianshan Orogen.

Probing the contribution of bismuth on electronic transport and phonon scattering properties of Mg3Sb2-xBix solid solutions

In this work, first-principles calculations have been used to investigate the electronic structure, phonon scattering, and Debye temperature of Mg3Sb2-xBix alloys. The electronic transport properties were predicted by solving the Boltzmann equations. Additionally, thermoelectric properties of alloys with corresponding compositions prepared using directional solidification were analyzed and compared with the predicted results. The research findings reveal that the increase in Bi content is accompanied by an increase in carrier concentration and mobility, and a decrease in carrier effective mass. The Mg3Sb1.5Bi0.5 alloy showed the highest power factor value of 0.49 mWm−1K−2 due to the synergistic effect between the electrical conductivity and the Seebeck coefficient. As the Bi atoms replace Sb sites, the scattering rates of low-frequency phonons become stronger, significantly reducing the lattice thermal conductivity. The Mg3Sb0.5Bi1.5 alloy reaches the lowest thermal conductivity, especially in the low and medium temperature range. Mg3Sb1.5Bi0.5 alloy provides the maximum ZT value of 0.29 at 630 K. This study systematically analyzes the impact of Bi on electronic transport and phonon scattering in Mg3Sb2-xBix alloys，and extensively discusses the dependence of thermoelectric performance parameters on Bi content. This work also provides a theoretical reference for the subsequent research on doping modification of Mg3Sb2-xBix alloys.

Optimization of Bi2O3 Content in CuO-Bi2O3 Cathodes for Secondary Zn Alkaline Batteries Leads to Improved Capacity and Cycling

Secondary alkaline batteries pairing Zn anodes with metal oxide cathodes (MnO2, CuO, etc.) are a promising route to energy-dense, inexpensive batteries for use in grid-scale energy storage. However, the low cycle life and material stability of secondary alkaline batteries, especially when compared to competing chemistries like Li-ion batteries, must be addressed in order to further develop these technologies. In recent years, studies have shown that the addition of chemical additives like Bi2O3 to the metal oxide cathodes can significantly improve their cyclability. Further work is needed, however, to better understand the mechanism of this improvement and further optimize cathode composition and performance.In this presentation, we will present our efforts to optimize the Bi2O3 composition of a CuO-Bi2O3 cathode for use in secondary Zn-CuO alkaline batteries. Earlier reports showed that relatively large quantities of Bi2O3 additive (10 wt.%) allowed for improved cathode conductivity and promoted the electroreduction of CuOx to Cu0. However, the use of such large quantities of a heavy additive also reduced the effective capacity of the resulting cathode by up to 15%, relative to a CuO cathode without any Bi2O3. Here, we show that the use of as little as 1 wt.% Bi2O3 is sufficient to affect a similar improvement in CuO cycling performance, and that even a Bi2O3-saturated KOH electrolyte solution is sufficient to impact the cyclability of a CuO cathode. Using a variety of physical and (electro)chemical techniques, we show that at these low Bi concentrations the Bi likely cycles between a sparingly soluble BiOx/Bi(OH)4 2- reservoir contained in both the cathode and electrolyte in the charged state, and solid Bi0 that is uniformly distributed on the surface of the CuOx/Cu0 cathode in the discharged state. Various electron microscopy techniques (SEM and STEM) show that this has a notable impact on the physical morphology of the active material in the cathodes after cycling, while electrochemical impedance spectroscopy (EIS) shows how electron transfer resistance varies based on Bi2O3 concentration. On a fundamental level, our results show that changes in Bi2O3 concentration notably impact the charge-discharge behavior of the CuO cathodes and results in the suppression of metal hydroxide-related redox peaks on charge. The absence of these peaks is thus correlated with improved cyclability, suggesting that the addition of Bi and the suppression of these recharge pathways may lead to higher capacity, more stable CuO cathodes in the future.This work was supported by the U.S. Department of Energy, Office of Electricity and Sandia National Laboratories, a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Dr. Imre Gyuk, Director of Energy Storage Research, Office of Electricity is thanked for his financial support. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

Effect of Bi content and temperature on the shear mechanical properties of Fe-Bi nanocomposites: a molecular dynamics study

In this study, the effects of Bi content and temperature on the mechanical properties of Fe–Bi nanocomposites were investigated using molecular dynamics simulation. The research reveals that the nanocomposite’s shear strength reaches a peak of 3.785 GPa at a Bi content of 0.15%, attributed to the impediment of dislocation movement by twin boundaries during shearing, resulting in a dynamic ‘Hall–Petch’ effect and exceptional shear performance of the material. The abundant twinning induced around Bi phase inclusions introduces orientational disparities within the crystal, leading to grain misalignments, with dislocations in the grains slipping near the twin boundaries. In the nanocomposites, <100> dislocations merely act as initial sites for reactions, reducing their impact on the material’s strength and fracture behavior. The maximum stress decreases with increasing temperature while the magnitude of atomic transformations increases. The proportion of atoms at grain boundaries is higher at higher temperatures, and the arrangement of atoms at grain boundaries is more complex. At a temperature of 100 K, the dislocation density is highest with the smallest variation, forming a reinforced region within the material. The above results have significant implications for the design of environmentally friendly Bi-containing free-cutting steels.

Preparation of Z-type black-TiO2/Bi2WO6 heterostructure with metallic Bi and oxygen vacancies for boosting the toluene photooxidation

Photocatalytic oxidation is considered to be the most energy-efficient, environment-friendly and effective strategy to degrade low fraction organic contaminants. Hence, a range of black-TiO2/Bi2WO6 (BTB) composites containing metallic Bi and oxygen vacancies (OVs) were designed with the assist of reducing atmospheres (NH3, N2 and H2). The BTB-N2 gave the maximal toluene oxidation efficiency of 92.4 % within 120 min under visible light, which was significantly higher than that of other BTB materials. A synergistic effect of Z-type heterostructure, surface plasmon resonance (SPR) effect of metallic Bi, along with OVs engineering contributed to the outstanding photooxidation performance of BTB-N2. The establishment of Z-type heterostructure facilitated the charge separation with maintaining original redox properties of both semiconductors. Additionally, the proper concentration of metallic Bi and OVs in BTB-N2 could also promote charge separation and transportation, as well as offer more active sites for the adsorption and activation of reactant molecules in the toluene oxidation process. The in-situ infrared measurements revealed that BTB-N2 promoted the benzene ring opening, leading to the swifter transfer of adsorbed toluene and intermediates in comparison to BTB-Air. This work presented a new perspective to design highly effective Z-type photocatalysts for environmental remediation.

Multi-Doping Exploration of (Sb, Bi and Ba) by First Principles on Ordered Zn–Si–P Compounds as High-Performance Anodes for Next-Generation Li-Ion Batteries

Chalcopyrite ZnSiP2 has emerged as a promising anode material for next generation Li-ion-based batteries due to its high theoretical capacity. First principles multiple-dopant effect computations were made on the structural, electronic, magnetic, and thermodynamic responses for chalcopyrite ZnSiP2(1−x)Sbx, ZnSiP2(1−x)Bix, Zn(1−x)BaxSiP2, and Zn1−xBaxSiP2(1−x)Sbx, using both the norm conserving, ultra-soft pseudopotentials with generalized gradient approximation (GGA+PBE) and the main frame of density functional theory. Lattice coefficient volume, bulk modulus, formation energy, and total energy of host materials were computed and compared with experimental and theoretical results. Energy band gap for the pure chalcopyrite ZnSiP2 system (1.4 eV) matches previous data and validates the accuracy of current calculations as doping concentration (x = 0.6, 0.9, and 0.12) of (Sb, Bi, and Ba) at Zn and P sites increases. The corresponding band gap decreases, resulting in greater enhancement in electronic conductivity. Finally, the phonon dispersion relation, phonon density of states, vibration frequencies of phonon, Gibbs free energy, enthalpy, entropy effect, and Debye temperature (θ D) were estimated to confirm the thermodynamic stability of both pure and doped systems. These investigations are predicted to contribute a deeper sympathy of the doping effects on ZnSiP2, facilitating further advancements in anode materials design for Li-ion batteries.

Genesis of the Jianbeigou Gold Deposit on the Southern Margin of the North China Craton: Insights from Fluid Inclusions, H‐O‐S Isotopes, and Pyrite in situ Trace Element Analyses

AbstractThe Jianbeigou gold deposit is a typical lode gold deposit in the Qinling metallogenic belt, located on the southern margin of the North China Craton. Three stages of the hydrothermal process can be distinguished, including the quartz ± pyrite, quartz‐polymetallic sulfide, and quartz‐carbonate ± pyrite stages. From the early to late stages, the homogenization temperatures of primary fluid inclusions are 281–362°C, 227–331°C, and 149–261°C, respectively. The corresponding salinities estimated for these fluids are 3.9–9.9 wt%, 0.4–9.4 wt%, and 0.7–7.2 wt% NaCl equiv. Combined with laser Raman spectroscopy data, the ore‐forming fluid belongs to a H2O‐CO2‐NaCl ± CH4 system with medium–low temperature and salinity. The δ18Ofluid and δD values for the quartz veins are –1.0‰ to 6.0‰ and –105‰ to –84‰, respectively, which indicates that the ore‐forming fluid is of mixed source, mainly derived from magma, with a contribution from meteoric water. Pyrite has been identified into three generations based on mineral paragenetic sequencing, including Py1, Py2, and Py3. The pyrites have δ34S sulfur isotopic compositions from three stages between 3.7‰ and 8.4‰, indicating that sulfur mainly originated from magma. Te, Bi, Sb, and Cu contents in pyrite were all high and showed a strong correlation with Au concentrations. Native gold and the Au‐Ag‐Bi telluride minerals were formed concurrently, and the As concentration was low and decoupled from the Au content. Therefore, Te, Bi, Sb and other low‐melting point chalcophile elements play an important role for gold mineralization in arsenic‐deficient ore‐forming fluid. Combined with the geological setting, evolution of pyrite, and ore‐fluids geochemistry, we propose that the Jianbeigou deposit can be classified as a magmatic–hydrothermal lode gold deposit. Gold mineralization on the southern margin of the North China Craton is related to Early Cretaceous magmatism and formed in an extensional setting.