Lithium Concentration Research Articles

Achieving Dendrite‐Free Lithium Metal Batteries by Constructing a Dense Lithiophilic Cu1.8Se/CuO Heterojunction Tip

AbstractLithium (Li) metal batteries (LMBs) have garnered widespread attention due to their high specific capacity. However, the growth of lithium dendrite severely limits their practical applications. Herein, a novel strategy is proposed to regulate the overall potential strength and lithium ions (Li+) concentration on the surface of the current collector by utilizing densely distributed tip effects. This concept is exemplified through the construction of lithiophilic Cu1.8Se/CuO heterojunction needle array on the Cu foil, ultimately achieving dendrite‐free lithium deposition. Based on the simulation in COMSOL multiphysics and experimental research, this design is demonstrated to enrich Li+ on the current collector surface, delay the formation of space charge regions, and mitigate the growth of lithium dendrites. Additionally, a built‐in electric field (BIEF) triggered by the heterointerface between Cu1.8Se and CuO further alleviates the Li+ concentration gradient on the electrode surface, achieving uniform bottom‐up deposition of Li within the array structure. Consequently, the symmetrical cell exhibits an ultra‐long cycle life of 2400 h (1 mA cm−2, 1 mAh cm−2) with an extremely low overpotential of 13 mV. Furthermore, full batteries using LiFePO4 as the cathode exhibit superior cycle stability and rate performance. This study presents a promising approach for designing dendrite‐free current collectors in LMBs.

Magnetron Sputtering Formation of Germanium Nanoparticles for Electrochemical Lithium Intercalation.

In the drive towards increased lithium based battery capacity, germanium is an attractive material due to its very high lithium storage capacity, second only to silicon. The persistent down-side is the considerable embrittlement accompanying its remarkable volume expansion of close to 300 %. A proven method to accommodate for this lattice expansion is the reduction of the size towards the nanoscale at which the fracturing is prevented by "breathing". In this work we employed a novel magnetron sputtering gas aggregation nanoparticle generator to create unprecedented layers of well-defined germanium nanoparticles with sizes below 20 nm. The electrochemical lithium intercalation was monitored by a suite of techniques under which Raman spectroscopy, which provided clear evidence of the presence of lithium inside the germanium nanoparticles. Moreover, the degree of lattice order was measured and correlated to the initial phases of the lithium-germanium alloy. This was corroborated by electron diffraction and optical absorption spectroscopy, of which the latter provided a strong dielectric change upon lithium intercalation. This study of low lithium concentrations inside layers of well-defined and very small germanium nanoparticles, forms a new avenue towards significantly increasing the lithium battery capacity.

Impact of submarine volcanic versus hydrothermal activity onto the strontium and lithium isotopic signatures of the water column (TONGA)

During the TONGA cruise (2019), seawater samples were collected to assess the effect of volcanic eruption versus submarine hydrothermal system on the water column. For this purpose, two locations were investigated, the first one located directly under the influence of the New Late’iki island (eruption in October 2019), and the second one showing ongoing submarine hydrothermal activity. At both locations, the total strontium (TSr) and lithium (TLi) concentrations vary between 94.4 and 152.3 µmol/L and 13.2 and 203.5 µmol/L, respectively. When combined, TSr and TLi concentrations of all samples in the water column are higher than those of the oligotrophic water. Both volcanic eruption and submarine hydrothermal activity (e.g. volcanic ashes, particles, gas condensate) can deliver substantial amount of TSr and TLi to the water column. The distribution of TSr versus TLi evidences linear trends either with a negative or positive slope. The negative correlation is observed in the water column at both sites, directly under the influence of the eruption and in the vicinity of the volcano with hydrothermal activity. The positive TSr versus TLi correlation is observed at site under submarine hydrothermal influence and is in line with black smokers related hydrothermal plumes. The 87Sr/86Sr ratios vary between 0.709147 and 0.709210 and δ7Li values vary between +10.1 and +37.6 ‰. While 92% of the measured 87Sr/86Sr ratios are in line with the mean value of oligotrophic waters, once combined with the δ7Li values, only 20% of them remains within this field. The wide range of δ7Li values decreases from sea-surface down to ~140 mbsl, before increasing at greater depth, while defining different linear trend according to the dissolved inorganic carbon concentrations. The variability of δ7Li values reflect hydrothermal contribution, mineral–seawater interaction and potentially biology–environment interaction. In the particular geological setting of the study, where both hydrothermal and volcanic activities were at play, disentangling both contributions on water column implies a combined use of elemental and isotopic signatures of Sr and Li tracers.

Dual-Functional SnO2-CNT-PANI||PP||SnO2 Separator for Enhanced Lithium-Sulfur Battery Stability and Capacity

Lithium-sulfur batteries (LSBs) provide high capacity and energy density for advanced energy storage but encounter performance and safety issues due to lithium polysulfides (LiPSs) dissolution and dendrite formation. This study introduces a dual-functional SnO2-CNT-PANI||PP||SnO2 separator (DF-SNCPS) aimed at improving the stability and safety of LSBs. The separator includes a SnO2-CNT-PANI layer on the sulfur cathode side for enhanced electrical conductivity and polysulfide adsorption and a SnO2 nanoparticle (nano-SnO2) layer on the lithium anode side to regulate lithium-ion concentration and inhibit dendrite growth. Density functional theory (DFT) and the phase field method have verified the relevant material's catalytic performance and dendrite suppression ability. These methods have provided a comprehensive understanding of the underlying mechanisms, providing auxiliary explanations for their role in catalyzing polysulfide conversion and suppressing lithium dendrite growth. This innovative design mitigates the shuttle effect and enhances cyclic stability and sulfur utilization, achieving a notable cyclic performance with a capacity retention of 0.05% per cycle over 800 cycles at 1C. The synergistic effects of the modified separator present a viable pathway for LSB commercialization.

Correlation between lithium concentrations in drinking water and suicide attempt in the southeast of Iran.

Suicide, as an avoidable cause of death in public health systems, currently lacks effective global strategies to prevent it. However, several epidemiological studies found a correlation between the concentration of lithium (Li) in drinking water and lower suicide rates in the general population. Our ecologicalstudy investigated this hypothesis in the Rafsanjan districtof Iran. Samples from the public water supply in 16 areas in the district were analyzed using the graphite furnace atomic absorption. The resulting data were examined in relation to the suicide attempt from March 2019 to March 2020 obtained from Iran's Ministry of Health's registration system. During that period, 239 suicide attempts were recorded, resulting in an average of 69 individuals (85 women and 54 men) per 100,000 residents of the area. The average Li concentration in the drinking water was 47.30 µg/L (ranging from 9.4 to 141 µg/L). A negative significantcorrelation (r = -0.551, p = 0.027) between Li concentration in water and the rate of suicide attempt were observed in the studied population. Notably, these findings indicate an inverse significantrelationship between Li levels and suicide attempt rate in women (r = -0.725, p = 0.001). This is the first study in Iran that examines the relationship between Li levels in drinking water and suicide attempt rate. The findings of this study support an inverse relationship between the level of Li in public drinking water and the rate of womensuicide attempt.

Scaling of HeatLMD-simulated impurity outflux from COMPASS-U liquid metal divertor

Abstract The Liquid Metal Divertor (LMD) concept offers a promising solution to manage extreme heat loads in plasma devices. This study presents predictive simulations using the HeatLMD model for the COMPASS-U tokamak with a full toroidal liquid metal divertor, expected to achieve reactor-relevant divertor heat flux densities. We derive the scaling of the Li|Sn outflux over 7 assumed independent parameters, transferable to other tokamaks. Its transport to LCFS (via ERO2.0) and its radiation (via Aurora and FACIT) predict acceptably low lithium concentration and negligible plasma cooling. However, for tin, the medium power scenario requires backside cooling beyond the capability of ITER-like water-cooled divertor, though a temporary heat absorber can approximate this for a 1-second plasma pulse. For incident divertor power exceeding 2 MW and strike point Te<10 eV, HeatLMD predicts significant tin plasma radiative disruption.

Use of lithium capillary structures in Ohmic discharges of T-10 Tokamak

The results of experiments at the T-10 tokamak using lithium capillary-porous structures are presented. It is shown that lithium sputtering under conditions of graphite diaphragms can significantly reduce deuterium recycling and the level of impurities in the plasma. At the same time, recycling increases significantly five discharges after the start of the day of the experiment, and the effect of reducing the level of impurities persists for 150—300 discharges. The results of using a capillary-porous structure with lithium filling as a movable rail diaphragm in the T-10 configuration with tungsten main diaphragms are presented. The introduction of a lithium diaphragm into the SOL region makes it possible to reduce recycling and obtain discharges with an effective plasma charge approaching unity. In this case, the effect increases as the lithium sputtered in the chamber is accumulated. It is shown experimentally that a capillary-porous structure with lithium filling can be used as a main diaphragm with longitudinal plasma heat fluxes up to 3.6 MW/m2. However, a necessary condition is the complete impregnation of the porous structure with lithium and the prevention of extrusion of lithium into the discharge as a result of the interaction of the current flowing to the diaphragm with the toroidal magnetic field. Experiments have shown that to obtain discharges with a small lithium admixture, a strong gas injection of deuterium or impurity is required to reduce the temperature of the plasma periphery and effective cooling of the diaphragm below 450 Å°C. Otherwise, the diaphragm transfers into a strong evaporation mode with high lithium flows, which lead to a significant increase in the lithium concentration in the plasma. Strong evaporation reduces the heat inflow and stabilizes the diaphragm temperature.

Comparative Study of Cytotoxicity and Accumulation of Boron and Lithium-Containing Drugs in Skin Melanoma Cells In Vitro.

We studied cytotoxicity and accumulation of boron and lithium by cultured human fibroblasts and human and mouse skin melanoma cell cultures. The cytotoxicity of boron and lithium drugs was assessed by MTT tests in the boron and lithium concentration range of 10-640 μg/ml. Cell viability was significantly reduced after incubation with boron and lithium at concentrations >160 μg/ml. To assess accumulation of boron and lithium, the concentration of elements was measured using inductively coupled plasma atomic emission spectrometry. Melanoma cells more intensively accumulated lithium in comparison with boron. The results indicate the possibility of safe application of lithium salts in concentrations minimally required for successful neutron capture therapy.

Revealing the functional relationship between manganese dissolution potentials and lithium concentrations with diffusion coefficient for lithium intercalation in λ-MnO2 electrode

Electrochemical redox lithium extraction (ELE) with LiMn2O4/λ-MnO2 redox couple, stands out as the most prospective technology for efficient and selective lithium extraction from the salt lake brines owing to the high lithium intercalation capacity, selectivity, and recovery rate. However, the decreasing Li+ concentration induced electrode polarization, especially, at low concentrations, and inappropriately applied potentials can significantly accelerate manganese dissolution (MD). While no correlational research has established the relationship between the manganese dissolution potential (EMD) and Li+ concentration gradient. Herein, the inversely proportional relationship between EMD and the lithium concentration is first revealed through steady-state diffusion coefficients. This research sheds light on the MD mechanism at different lithium concentration gradients and lays the foundation for the industrial application of electrochemical lithium extraction with LiMn2O4/λ-MnO2 redox couple from salt lake brines.

The Impact of Supersaturated Electrode on Heterogeneous Lithium Nucleation and Growth Dynamics.

The concept of a lithiophilic electrode proves inadequate in describing carbon-based electrode materials due to their substantial mismatch in surface energy with lithium metal. However, their notable capacity for lithium chemisorption can increase active lithium concentration required for nucleation and growth, thereby enhancing the electrochemical performance of lithium metal anodes (LMAs). In this study, we elucidate the effects of the supersaturated electrode which has high active lithium capacity around equilibrium lithium potential on LMAs through an in-depth electrochemical comparison using two distinct carbon electrode platforms with differing carbon structures but similar two-dimensional morphologies. In the supersaturated electrode, both the dynamics and thermodynamic states involved in lithium nucleation and growth mechanisms are significantly improved, particularly under continuous current supply conditions. Furthermore, the chemical structures of the solid-electrolyte-interface layers (SEIs) are greatly influenced by the elevated surface lithium concentration environment, resulting in the formation of more conductive lithium-rich SEI layers. The improved dynamics and thermodynamics of surface lithium, coupled with the formation of enhanced SEI layers, contribute to higher power capabilities, enhanced Coulombic efficiencies, and improved cycling performances of LMAs. These results provide new insight into understanding the enhancements in heterogeneous lithium nucleation and growth kinetics on the supersaturated electrode.

The Impact of Supersaturated Electrode on Heterogeneous Lithium Nucleation and Growth Dynamics

AbstractThe concept of a lithiophilic electrode proves inadequate in describing carbon‐based electrode materials due to their substantial mismatch in surface energy with lithium metal. However, their notable capacity for lithium chemisorption can increase active lithium concentration required for nucleation and growth, thereby enhancing the electrochemical performance of lithium metal anodes (LMAs). In this study, we elucidate the effects of the supersaturated electrode which has high active lithium capacity around equilibrium lithium potential on LMAs through an in‐depth electrochemical comparison using two distinct carbon electrode platforms with differing carbon structures but similar two‐dimensional morphologies. In the supersaturated electrode, both the dynamics and thermodynamic states involved in lithium nucleation and growth mechanisms are significantly improved, particularly under continuous current supply conditions. Furthermore, the chemical structures of the solid‐electrolyte‐interface layers (SEIs) are greatly influenced by the elevated surface lithium concentration environment, resulting in the formation of more conductive lithium‐rich SEI layers. The improved dynamics and thermodynamics of surface lithium, coupled with the formation of enhanced SEI layers, contribute to higher power capabilities, enhanced Coulombic efficiencies, and improved cycling performances of LMAs. These results provide new insight into understanding the enhancements in heterogeneous lithium nucleation and growth kinetics on the supersaturated electrode.

Relevance of red blood cell Lithium concentration in the management of Lithium-treated bipolar and unipolar disorders: a systematic narrative review

BackgroundDespite a variability in response and a narrow therapeutic index, Lithium (Li) remains the gold standard treatment for bipolar disorders (BD), and a treatment of choice for unipolar disorders (UD). Red blood cell Li concentration (RBCLiC) and red blood cell/plasma Li ratio (LiR) have been studied in many areas of mood disorders (such as acute or chronic Li efficacy, adherence, side effects (SE), intoxication management) as well as in several research domains. This systematic review aims to synthesize the existing literature.MethodsWe conducted a systematic review, based on preferred reporting items for systematic reviews and Metanalysis (PRISMA) guidelines, of articles published between 1972 and February 2023, indexed in the following databases: EMBASE, MEDLINE, Cochrane Library. The search terms were combinations of the following headings: “Lithium AND Plasma AND Erythrocyte AND Mood disorders”. The systematic review protocol was published to PROSPERO (CRD42023406154).Results and conclusionOut of the 252 identified studies, 57 met the selection criteria. The articles investigated the interest of RBCLiC and other blood parameters (PLiC and LiR) in various areas: (i) disease management (31 articles) (compliance/adherence (5 articles), SE/toxicity (13 articles), prediction of Li response/therapeutic efficacy for acute episode or for relapse prevention (17 articles)), (ii) Li blood parameters as trait markers of mood disorders subtypes (UD, BDI, BDII) (16 articles), (iii) Li blood parameters as state markers of mood episodes (11 articles), (iv) factors influencing Li blood parameters (age, gender, ethnicity, dosage and duration of Li treatment, co-medications with other treatments, seasonality) associated with RBCLiC or LiR (24 articles), and (v) potential pathophysiological mechanisms (30 articles).ConclusionOverall, this review suggests that RBCLiC or LiR could be of interest for tolerance monitoring. However, the heterogeneity of methods and results, coupled with the limited amount of data, does not allow clear conclusions to be drawn in the other areas explored in this literature review. Given the potential interest in exploring brain Li pharmacokinetics (PK)s, this review calls for further research.

Efficiency of Penicillium sp. and Aspergillus sp. for bioleaching lithium cobalt oxide from battery wastes in potato dextrose broth and sucrose medium

Lithium-ion batteries, a primary power source, generate electronic hazardous waste at the end of their lifespan, which is a richer source of highly concentrated metals such as cobalt and lithium than those in natural resources. The waste is a potential renewable resource for the extraction of metals. Bioleaching, a process utilizing microbial activity, was used in this study to investigate the cobalt and lithium leaching efficiency from battery wastes. Two fungal strains, Aspergillus sp. strain JMET 15 and Penicillium sp. strain JMET 24 were used with different organic carbon sources (sucrose medium and potato dextrose broth) at 1 % pulp density. The sucrose medium derived a higher acid quantity and leached higher concentration of cobalt and lithium than in potato dextrose broth. Leaching efficiency by JMET 24 was higher than JMET 15. Cobalt (32.57 % and 27.19 %) and lithium (65.07 % and 40.58 %) were bioleached by JMET 24 and JMET 15, respectively, after 30 d cultivation in the sucrose medium. Lower pulp density was conducted to achieved higher leaching efficiency by JMET24, cobalt (77.87 % and 74.5 %) and lithium (99.88 % and 78.4 %) were bioleached at 0.1 % and 0.5 % pulp density, respectively. Cobalt oxide (Co3O4) was the product of the one-step recovery (leaching and precipitation) process. Cobalt was transformed from lithium cobalt oxide to cobalt phosphate-oxalate by JMET 24 in the sucrose medium. Thus, the potential of bioleaching as an effective method for recovering valuable metals from lithium-ion battery waste is demonstrated, presenting a promising approach for both waste management and resource recovery.

Effect of nano-Ti-Li-Al hydrotalcite-like on the hydration and hardening properties of sulfoaluminate cement-based materials

The use of sulfoaluminate cement-based materials (SCBMs) in grout reinforcement projects is common, and they also perform well in road repair and other facilities. To obtain high workability and permeability, a large water-to-cement ratio is generally used, which reduces the early mechanical properties of SCBMs. The early mechanical properties of cement-based materials can be improved by adding nanomaterials. The cement hydration product monosulfate (AFm) belongs to the hydrotalcite-like family, which is also called layered double hydroxide (LDHs). At present, there is no literature on the influence of nano-Ti-Li-Al layered double hydroxide materials (TiLiAl-LDHs) on SCBMs. In this study, two types of nano -TiLiAl-LDHs with different Ti/Li/Al molar ratios (Ti1Li3Al4-LDHs and Ti2Li3Al4-LDHs) were synthesized. Nano-Ti1Li3Al4-LDHs promoted the hydration of the slurry and improved the early mechanical properties of SCBMs to a greater extent than nano-Ti2Li3Al4-LDHs. However, the cause of this phenomenon remains unclear. Nano-TiLiAl-LDHs act as nucleation sites for ettringite (AFt) and AFm, both of which are cement hydration products. Among them, Ti1Li3Al4-LDHs preferentially provided nucleation sites for AFt, whereas Ti2Li3Al4-LDHs preferentially provided nucleation sites for AFm. Ti1Li3Al4-LDHs and Ti2Li3Al4-LDHs can release titanium, lithium, and carbonate ions in the SCBMs paste, and Ti1Li3Al4-LDHs release more lithium ions (up to 50 mg/L) while Ti2Li3Al4-LDHs release more titanium ions (up to 100 mg/L). Li+ can consume AlO2− and OH− in the slurry and form amorphous lithium aluminum compounds. Although Li+ inhibits the formation of AFt products, it promotes the hydration of anhydrous calcium sulfoaluminate (ye’elimite). Ti4+ reacts with OH− to form a complex that inhibits the formation of AFt, thus reducing the hydration of SCBMs. CO32− promotes the formation of calcium carbonate and indirectly promotes the dissolution of ye’elimite and gypsum. The nucleation effect and release of titanium, lithium, and carbonate ions acted synergistically to influence the hydration and hardening processes of SCBMs. Compared with Ti2Li3Al4-LDHs, Ti1Li3Al4-LDHs has a greater ability to enhance the hydration and mechanical properties of the slurry owing to its strong nucleation and release of higher concentrations of lithium ions and lower concentrations of titanium ions.

Assessment of drinking water quality and identifying pollution sources in a chromite mining region

Water sources near mining regions are often susceptible to contamination from toxic elements. This study employs machine learning (ML) techniques to evaluate drinking water quality and identify pollution sources near a chromite mine in Iran. Human health risks were assessed using both deterministic and probabilistic approaches. Findings revealed that concentrations of calcium (Ca), chromium (Cr), lithium (Li), magnesium (Mg), and sodium (Na) in the water samples exceeded international safety standards. The Unweighted Root Mean Square water quality index (RMS-WQI) and Weighted Quadratic Mean (WQM-WQI) categorized all water samples as 'Fair', with average scores of 67.95 and 67.19, respectively. Of the ML models tested, the Extra Trees (ET) algorithm emerged as the top predictor of WQI, with Mg and strontium (Sr) as key variables influencing the scores. Principal component analysis (PCA) identified three distinct clusters of water quality parameters, highlighting influences from both local geology and anthropogenic activities. The highest average hazard quotient (HQ) for Cr was 1.71 for children, 1.27 for adolescents, and 1.05 for adults. Monte Carlo simulation for health risk assessment indicated median hazard index (HI) of 4.48 for children, 3.58 for teenagers, and 2.98 for adults, all exceeding the acceptable threshold of 1. Total carcinogenic risk (TCR) exceeded the EPA's acceptable level for 99.38 % of children, 98.24 % of teenagers, and 100 % of adults, with arsenic (As) and Cr identified as the main contributors. The study highlights the need for urgent mitigation measures, recommending a 99 % reduction in concentrations of key contaminants to lower both carcinogenic and non-carcinogenic risks to acceptable levels.

Low-caffeine green tea supplementation reduced lithium serum levels and the relative abundance of microbiota in women with obesity: A case study

BackgroundGreen tea (GT) polyphenols play an important and known role in the oxidative and inflammatory response due to their antioxidant, anti-inflammatory, anti-hyperglycemic, and anti-obesity properties. However, its relation to the detoxification of toxic metals and its possible effect remains unknown. PurposeThe present study investigated the relationship between GT intake, toxic metals detoxification, and gut microbiota in obesity. MethodsEach participant in the group initially received 56 capsules of low-caffeine GT from the Solaray® brand. After four weeks of supplementation, another 56 capsules were given, totaling 112. All assessments were performed pre- and post-GT intervention. Serum metal levels were determined using an inductively coupled plasma mass spectrometer (PerkinElmer, NexION 2000 B, Waltham, MA, EUA, EUA). Fecal DNA was extracted using the QIAmp® Fast DNA Stool MiniKit (QIAGEN). ResultsIntervention with GT did not promote changes in the clinical or metabolic data evaluated. However, GT supplementation led to a significant decrease of 48% in Lithium concentration in the post-intervention period compared to the pre-intervention period. This study also observes the prebiotic effect of green tea in modulating Bacteroidetes and Firmicutes. ConclusionsThe GT effect of Lithium reduction is a new finding in the literature. There is a lack of investigation to address the effects of the components of the GT in lithium excretion, and we attribute this effect to the trace amount of caffeine.

Enhanced continuous lithium extraction using self-designed porous nanosorbent fibers in a fixed-bed system: Optimization and mechanistic insights

This study introduced a novel lithium/aluminum layered double hydroxide (Li/Al-LDH) nanosorbent fiber (Li-PNF) engineered for continuous lithium extraction from brine using a fixed-bed system. These fibers featured a three-dimensional interconnected mesh structure and were distinctively encapsulated with needle-like Li/Al-LDH, exhibiting a layer-by-layer configuration. Compared to conventional Li/Al-LDH, Li-PNFs demonstrated abundant mesoporous structure and larger average pore size, facilitating the mass transfer and molecular diffusion of Li+ ions. Li-PNFs possessed a static lithium adsorption capacity of approximately 13.0 mg/g, with notable selectivity against Na+ and K+. Additionally, the Li+ binding energy across three distinct sites within the atomic structure of Li-PNFs proved advantageous, particularly at the Triangle-site-Al-overlapping-O3, which reached −5.72 eV. Fixed-bed adsorption experiments confirmed that lower feed flow rates, higher initial lithium concentrations, and increased bed heights significantly enhanced the Li+ capture efficiency, achieving up to 23.83 % in a single fixed-bed experiment. Based on the prediction of adsorption penetration curves using four empirical models, it was found that the Clark and Thomas models could accurately predict the behavior of Li+ penetration through the bed. Fixed-bed desorption results indicated that optimal lithium recovery was achieved at lower feed rates, reduced lithium concentrations in the desorption solution, and elevated temperatures. Finally, the excellent cyclic adsorption/desorption performance and low preparation cost of Li-PNF further highlighted its potential for real industrial applications, offering a significant advancement in the field of lithium extraction technology.

Investigation on Lithiated Half‐Heusler Alloy CoMnSi for Lithium‐Ion Batteries

ABSTRACTIn this work, we report on CoMnSi half‐Heusler alloy as a cathode material for secondary lithium‐ion batteries using ab initio methodology based on the density functional theory. The first‐principle calculations have been performed via the Wien2k package, which utilizes the full potential linearized augmented plane wave (FP‐LAPW) method to estimate the stability of the proposed structures and electronic characteristics while considering the exchange and correlation effects within the generalized gradient approximation. This alloy is found structurally stable with better electronic properties and with the alloying of lithium (Li) into the host lattice of CoMnSi, the metallic character is attained for LixCo1−xMnSi (0.125 ≤ x ≤ 1). We propose possible reactions at electrodes during the electrochemical lithiation. The addition of Li in place of the Co atom is found to be an endothermic process. With the increase in lithium concentration, a substantial change in the total and atom projected density of states around the Fermi level is observed. The theoretical maximum specific capacity (CM) and theoretical open circuit voltage (OCV) increase with the increase of lithium concentration in CoMnSi. The CM and OCV values attain a maximum value of around 297 mAh/g and 2.4 Volts for x ≥ 0.75, which means towards the complete conversion of CoMnSi into LiMnSi. The LiMnSi exhibits a similar structure as CoMnSi, which is also advantageous for the overall performance of lithium‐ion batteries to avoid any volumetric change during the charging and discharging cycles. Hence, the proposed half‐Heusler alloys have great potential to be used as a cathode material for lithium‐ion batteries.

Distribution, enrichment characteristics and prospecting potential of lithium in Uzbekistan: Insights from 1:1 million geochemical mapping

With the world economy gradually shifting to alow‑carbon and greener model in recent years, there is a growing need for developing key metals like lithium in economic development. Economic growth has sped up the country's shift to a green economy along with Uzbekistan's reform and opening up, and the country's developing major mineral resources, such as lithium, have garnered a lot of attention. Owing to lithium resource protential of Uzbekistan is unclear, it is important to examine the possibility of lithium mineralization. The distribution and enrichment characteristics of lithium in the Uzbeksitan Tianshan are studied in this paper, based on geochemical mapping data at a 1:1000000 scale. It's concluded that stream sediments from the Tianshan region of Uzbekistan have higher concentration of lithium than the continental crust, and the South Tianshan has the highest lithium content. Lithium mineralization has been found in the lithium-geochemical anomaly areas in the eastern part of Uzbekistan South Tianshan through field investigation. Spodumene pegmatite, the first instance of pegmatitic type lithium mineralization in this region and even in the Tianshan orogenic belt of Central Asia. In conjunction with the geological background analysis, the metallogenic potential of lithium was assessed, resulting in the identification of four regions with lithium geochemical anomaly, and these sites will serve as target areas for Li deposits prospecting work in the future. This work has significant implications for the advancement of our understanding of the metallogenic theory of pegmatite-type Li deposits, as well as practical guiding significance for lithium ore prospecting in the Tianshan orogenic belt of Central Asia.

Construction and Analysis of Battery Equivalent Circuit Model Considering Liquid Phase Lithium Ion Diffusion Under High-Rate Conditions

In order to obtain the internal state of lithium-ion battery quickly and accurately, the problem that the internal state of the battery is difficult to estimate quickly and accurately is solved. The discharge performance of lithium ion is affected by the electrode current during the charge and discharge process. This paper analyzes the key factors of the electrochemical model at high rate, considers the change of lithium ion concentration in the liquid phase of the battery, integrates the electrochemical mechanism and the equivalent circuit, and establishes a mechanism equivalent circuit model with more computational advantages through circuit elements. The equivalent circuit model can describe the physical characteristics of the lithium battery. Under high rate constant current and dynamic conditions, the model shows good electrical characteristics. Compared with the traditional empirical equivalent circuit model, the accuracy of the model is improved, and the state quantity is reduced by 15 compared with the electrochemical model. The model is of great significance in practical application.