Zinc Atoms Research Articles

Ultrasensitive electrochemiluminescencent multivalent aptamer sensor based on energy and electron transfer dual quenching tactics.

Anefficient "on-off-on" electrochemiluminescence (ECL) aptasensor utilizing dual-mechanism quenching was constructed for detecting furanyl fentanyl (FuF). The first signal "on" state was achieved by novel dual-ligand zinc metal-organic frameworks (Zn-MOFs), which were synthesized by self-assembly reaction using zinc atom clusters as metal nodes, achieving strong and stable ECL emission. The "off" state was realized by the energy and electron quenching effect of copper-doped WO3. Specifically, in addition to the overlap of the UV-Vis spectrum, energy transfer existed between the acceptor and donor after doping copper. Therefore, copper created a "highway" for electron transfer between the donor and acceptor, which greatly improved the quenching efficiency. Simultaneously, employing multivalent aptamers as capture probes augmented the binding affinity and probability of association between aptamer and target through a synergistic multivalent effect. Consequently, the second "on" state was the ECL signal restored by introducing FuF. Benefiting from the combination of the multivalent aptamers strategy with the "on-off-on" design, the developed aptasensor showed excellent linearity (1.0 × 10-13 to 1.0 × 10-6 g/L) with a low limit of detection of 5.5 × 10-14 g/L (S/N = 3). Additionally, it demonstrates a relative standard deviation (RSD) of less than 5% and good recovery ranging from 97.6 to 102%. The proposed aptasensor presents considerable potential for rapid, sensitive, and accurate determinationof FuF.

Exploring the Differences in Self‐Assembly Behavior, Structure, and Properties of Two Novel Pentanuclear Zinc (II) Salamo‐Type Complexes Possessing Solvent Effect

ABSTRACTA salamo‐type biscompartmental ligand was successfully prepared. On this basis, two novel pentanuclear zinc (II) salamo‐type complexes possessing solvent effect were self‐assembled successfully with different zinc (II) salts: [Zn5(L)2(μ‐OAc)2(CH3COCH3)] (1) and [Zn5(L)2(μ‐OAc)2(CH3CN)] (2). Complex 1 contains two fully deprotonated (L)4− units, five Zn(II) atoms, two coordinating acetate anions, and one coordinating acetone molecule. The zinc (II) atoms are all in a slightly distorted triangular bipyramidal geometrical configurations. Complex 2 consists of two fully deprotonated (L)4− units, five zinc (II) atoms, two coordinating acetate anions and a coordinating acetonitrile molecule. The different structures of the self‐assembling complexes may be attributed to various solvent effects applied in the self‐assembly. As a result, the acetate anions are involved in bridging coordination, thereby expanding the distance between secondary building units (SBUs). In addition, polar nonprotonic solvents, especially acetonitrile and acetone molecules, were involved in the coordination process. Finally, the reaction sites and intermolecular interactions were further discussed by MEP, IRI, and Hirshfeld surfaces, and their fluorescence properties were explored.

Natriuretic effect of 4′,5-dihydroxy-6,7-methylenedioxyflavonol-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-xylopyranoside from Boldoa purpurascens: in silico and in vivo studies

Aqueous leaf extracts of Boldoa purpurascens are widely used because of their diuretic, natriuretic, antiurolithiatic, anti-inflammatory and antihypertensive properties. The major component of the extract is the flavonoid 4′,5-dihydroxy-6,7-methylenedioxyflavonol-3-O-α-L-rhamnopyranosyl-(1→2)-β-D–xylopyranoside, but it is not known if this compound is responsible for the biological activity. The objective of this work is to develop effective in silico tools that allow predicting the possible activity of the flavonoid aglycone as an inhibitor of metalloproteases that regulate renal fluid excretion. First, a mathematical ligand-based classification model was developed, using an artificial intelligence and machine learning technique of support vector machines to find the relationship between chemical structure and biological activity. This showed good fit of the statistical parameters with an accuracy greater than 90%, offering a priori information of the flavonoid activity. Subsequently, the flavonoid aglycone was docked to the active site of the enzymes thermolysin (PDB: 6YMS), angiotensin-converting enzyme (PDB: 6TT4) and neprilysin (PDB: 6SUK) using the Extra Precision glide method (Glide-XP), showing conformations with binding energies lower than −5 Kcal/mol. In this study, possible interactions were determined at the catalytic site, where the coordination of negatively charged pharmacophoric groups with the zinc atom of these enzymes is observed. Finally, a preliminary in vivo evaluation was carried out using a diuresis-natriuresis model with sodium quantification in urine which revealed good activity profiles. These results are in correspondence with the ethnopharmacological use of the plant as a diuretic-natriuretic and for the treatment of hypertension.

Dichloro-bis[(Z)-1-styryl-benzimidazole]-zinc(II)

We have successfully synthesized the dichloro-bis[(Z)-1-styryl-benzimidazole]-zinc(II) complex, which was fully characterized by IR, elemental analysis, and mass and NMR spectroscopy. The solid-state structure definitively shows that two benzimidazole moieties are coordinated to the zinc atom, which adopts a tetrahedral geometry.

Role of Hydroxyl Groups in Zn-containing Nanosized MFI Zeolite for the Photocatalytic Oxidation of Methane.

The effective conversion of methane to a mixture of more valuable hydrocarbons and hydrogen under mild conditions is a significant scientific and practical challenge. Here, we synthesized Zn-containing nanosized MFI zeolite for direct oxidation of methane in the presence of H2O and air. The presence of the surface hydroxyl groups on nanosized MFI-type zeolite and their significant reduction in the Zn-containing nanosized MFI zeolite were confirmed with Infrared Fourier Transform (FTIR) spectroscopy. Incorporation of zinc atoms into the framework of nanosized MFI zeolite is revealed by Nuclear Magnetic Resonance, X-ray Diffraction and UV-Vis Spectroscopy. Unexpectedly, pure silica MFI zeolite exhibited the highest photocatalytic performance. Our findings demonstrated that large number of isolated silanol groups and silanol nests increase the formation of ⋅OH, and enhance the productivity of oxygenate compounds and C2H6, while the Zn incorporated into the zeolite framework or attached to the silanol nests of the nanosized zeolites are less efficient. A mechanism of photocatalytic methane oxidation is proposed. These findings provide insights into the development of active nanosized zeolite photocatalysts with an extended amount of surface hydroxyl groups that can play a key role in photocatalytic methane conversion.

Unveiling the mechanism of reverse saturable absorption in zinc tetrapyridyl porphyrins

Reverse saturable absorption (RSA) is one of the important mechanism for a molecule showing optical-limiting property. The experiment found that zinc tetrapyridyl porphyrins (ZnTPyP) exhibit distinct RSA characteristics at both 470 nm and 532 nm wavelengths. To understand the origin of the RSA in ZnTPyP, a theoretical analysis based on the linear-response time-dependent density functional theory(LR-TDDFT) for the ground state absorption (GSA) and the pseudo-wavefunction formulation of LR-TDDFT(PWF-TDDFT) for excited states absorption (ESA) were conducted. Experimentally observed RSA in ZnTPyP are well predicted. It is shown that the transitions of S1→S13,14,15,18 are the origin of the observed RSA feature in ZnTPyP. We found that these excited states transitions exhibit intramolecular charge transfer character and the pyridyl groups play an important role in the charge transfer process. It is also noticed that the pyridyl groups results in a red shift for both the GSA and ESA of porphyrin. In addition, the central zinc atom causes the energy gap between the positions with prominent absorption in GSA and ESA increased. These observations indicate that pyridyl groups and central zinc atom play an important role in tuning the spectral window and strength of RSA in the porphyrin complexes. These observations provide guidance for designing novel optical-limiting materials based on the porphyrin derivatives.

Uncovering mechanism of excessive copper ion-activated depressed-sphalerite under moderate alkaline conditions: A combined experimental and DFT investigation

Currently, extensive research exists on the activation mechanisms of sphalerite, yet there is a notable absence of studies on the mechanisms behind the activation of depressed sphalerite. This paper investigates the mechanism through which moderate or excessive copper ions activate depressed sphalerite under conditions (pH 9–10) of moderate alkalinity, employing a comprehensive approach that includes pure mineral flotation experiments, contact angle measurements, FESEM-EDS, XPS, and density functional theory simulations.The results from pure mineral flotation experiments reveal that, at a copper ion concentration of 1 × 10−4 mol/L, sphalerite, previously depressed by zinc sulfate, is activated by copper ions, achieving a recovery rate of 91.46 % with butyl xanthate as the collector. However, when more cooper ions are added, the recovery of sphalerite decreases. Contact angle measurements and FESEM-EDS data indicate that under conditions of moderate alkalinity, zinc sulfate undergoes hydrolysis to form hydrophilic colloidal substances (hydroxylated zinc) that adhere to the surface of sphalerite, rendering it hydrophilic and thereby depressed. Following the introduction of copper ions, a dense striated material forms on the surface of sphalerite previously inhibited by zinc sulfate, enhancing its hydrophobicity, but if more copper ions were added, the hydrophobicity of activated sphalerite will be weakened. XPS findings further suggest that activated sphalerite by copper is capable of forming polysulfides, which then act on the sphalerite. DFT simulations verify that under moderate alkalinity conditions, copper ions first undergo a hydroxylation reaction in the solution before adsorbing or precipitating on the mineral surface as hydroxylated substances, which subsequently interact with sulfur on the surface of sphalerite. The analysis of the density of states indicates that following the addition of butyl xanthate, the strongest 3p orbital electron peak of the sulfur atom bound to butyl xanthate and the strongest 3d orbital electron peak of zinc are at distinct energy levels, suggesting that the overlap of the electronic density of states is minimal, indicating a weak and unstable interaction between the sulfur and zinc atoms bonded with butyl xanthate. Conversely, the strongest 3p orbital electron peak of the sulfur atom bonded with butyl xanthate overlaps with the strongest 3d orbital electron peak of copper and is positioned near the Fermi level, signifying a strong reactivity and more stable interaction between the sulfur and copper atoms.

Manipulation of Zn Deposition Behavior to Achieve High-Rate Aqueous Zinc Batteries via High Valence Zirconium Ions.

Aqueous zinc ion batteries are excellent energy storage devices with high safety and low cost. However, the corrosion reaction and zinc dendrite formation occurring on the surface of zinc anodes are hindering their further development. To solve the problems, zirconium acetate (ZA) was used as an electrolyte additive in the ZnSO4 electrolyte. Attributing to the higher electro-positivity of Zr4+ than Zn2+, these high valence metal cations preferentially adsorb onto the surface of metallic zinc, shielding parasitic reactions between zinc and electrolyte, reshaping the electric field distribution, and directing preferential homogeneous deposition of Zn-ions on the Zn (002) crystal plane. Furthermore, the adsorption of Zr4+ on the Zn metal after electrochemical cycles can enhance the energy barrier of zinc atom diffusion, resulting in high resistance of corrosion and manipulation of the Zn2+ nucleation configuration. Attributing to these properties, the Zn//Zn symmetric cell with an electrolyte additive of ZA was able to cycle for 400 h under an extremely high current density of 40 mA cm-2 with an area capacity of 2 mAh cm-2. Meanwhile, the MnO2//Zn coin cell still had 81.7 mAh g-1 (85% retention of capacity) after 850 cycles under a current density of 1 A g-1.

Exploration of the Binding Site of Arachidonic Acid in gp63 of Leishmania mexicana and in Orthologous Proteins in Clinically Important Parasites.

Recently, we published that the monoclonal antibody (D12 mAb) recognizes gp63 of L. mexicana, and it is responsible for COX activity. This D12 mAb exhibited cross-reactivity with Trypanosoma cruzi, Entamoeba histolytica, Acanthamoeba castellanii, and Naegleria fowleri. COX activity assays performed in these parasites suggested the potential presence of such enzymatic activity. In our investigation, we confirmed that wild-type recombinant gp63 exhibits COX-like activity, in contrast to a mutated recombinant gp63 variant. Consequently, our objective was to identify sequences orthologous to gp63 and subsequently analyze the binding of arachidonic acid (AA) to the putative active sites of these proteins. Given the absence of a crystallized structure for this protein in the Protein Data Bank (PDB), it was imperative to first obtain a three-dimensional structure by homology modeling, using leishmanolysin from Leishmania major (PDB ID: LML1) as a template in the Swiss model database. The results obtained through molecular docking simulations revealed the primary interactions of AA close to the Zinc atom present in the catalytic site of gp63-like molecules of several parasites, predominantly mediated by hydrogen bonds with HIS264, HIS268 and HIS334. Furthermore, COX activity was evaluated in commensal species such as E. dispar and during the encystment process of E. invadens.

A Cu-Zn bimetallic organic framework as protective interlayer for dendrite-free Zn deposition in zinc-based flow batteries

Zinc-based flow batteries hold great promise for grid-scale energy storage. However, the formation of zinc dendrites challenges their lifespan and safety. In this work, we devise a bimetallic organic framework material on carbon cloth (CuZn@MOF-CC) using a one-step dip coating method to address the dendrite issue. The prepared CuZn@MOF-CC promotes the creation of zincophilic sites on the electrode surface, facilitating smooth and uniform zinc deposition. Electrochemical csharacterizations and density functional theory (DFT) calculations reveal much stronger electronic interactions between CuZn@MOF and the zinc atoms compared to the commonly used anode material through an obvious electron interaction between the Zn atom and the Cu sites linked in the CuZn@MOF chain. By mitigating the zinc dendrite problem, this approach effectively improves the coulombic efficiency, cycle life, and safety of zinc-based flow batteries. The battery incorporating the prepared material demonstrates impressive stability, exceeding 450 cycles without dendrites at a high current density of 320 mA cm−2, paving the way for efficient and reliable energy storage solutions and a sustainable future.

Effect of Al doping on structural and optical properties of atomic layer deposited ZnO thin films

In this work, zinc oxide (ZnO) and aluminum-doped ZnO (AZO) thin films with varying Al contents were grown via atomic layer deposition on Si and glass substrates. The structural and optical properties of ZnO and AZO thin films were investigated using X-ray diffraction, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), photoluminescence (PL), and ultraviolet-visible spectroscopy. While undoped ZnO had a wurtzite crystal structure, Al2O3 layers altered the crystal structure depending on the Al content. With the increasing number of Al2O3 monolayers, the γ- Al2O3 structure became more prominent, and ZnO peaks were completely suppressed when the Zn ratio reached 10:1 and beyond. SEM images revealed that the thin films homogeneously covered the entire substrate surface. EDS mapping showed a uniform distribution of Zn, Al, and O in the structure. According to the XPS results, the thin films displayed significant peak intensities corresponding to the main components Zn, O, and Al. Zinc atoms were present only in their oxidized state, not as interstitial atoms. The O 1 s peak could be deconvoluted into three components: the oxygen-zinc bond, the oxygen-aluminum bond, and chemisorbed or OH species. In the AZO samples, a direct correlation was observed between the intensity of the Al 2p peak and the number of Al2O3 layers. Additionally, the calculated elemental ratio of Al increased from 2.582 to 23.955 at.% with more Al2O3 layers. Optical measurements revealed that ZnO and AZO thin films exhibit high transmittance in the visible region. Moreover, introducing Al2O3 layers into the supercycle led to an increasing trend in transmittance. Another improvement in the optical properties was observed as a blue shift in the absorption edge with Al doping, indicating band gap widening. The optical band gap of the ZnO thin films increased from 3.2 to 3.5 eV with Al doping. The origin and concentration of defects were evaluated by deconvoluting the PL spectra. A comparative investigation of the PL spectrum and XPS results revealed variations in defect concentration with deposition parameters and defect formation mechanism was discussed.

Synthesis, characterization, and crystal features of a mixed ligand binuclear Zinc(II) acyl pyrazolone complex: DFT, Hirshfeld surface analysis and anti-malarial activity evaluation

A novel binuclear [Zn2(L2C)2(HQ)2] complex with mixed ligands was synthesized using pyrazolone-based derivative (L2C) (1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)(4-nitrophenyl)methanone) as the primary ligand and 8-hydroxyquinoline (8-HQ) as the secondary ligand. Single crystal analysis revealed that each zinc(II) atom is penta-coordinated, involving four O-atoms from two pyrazolone ligands and two N-atoms from the 8-hydroxyquinoline. Two hydroxyl O-atoms from the 8-hydroxyquinoline also bridge the zinc atoms, leading to a distorted square pyramidal geometry. The structure of the complex was further characterized using 1H NMR, FT-IR, UV–vis, TGA, and elemental analysis. The compounds’ electronic behaviour, stable geometry, MEP surfaces, and FMO analysis were studied using density functional theory (DFT) at the B3LYP level with the LanL2DZ basis set. These theoretical results were compared with the experimental structural data of the [Zn2(L2C)2(HQ)2] complex. The complex was tested for its ability to inhibit Plasmodium falciparum in vitro.

Stability of phase composition and properties of Zn4+xSb3 medium-temperature thermoelectric material

The phase composition and thermoelectric properties of a β-Zn4Sb3 based material before and after thermocycling tests at 273–723 K have been studied. Specimens with stoichiometric Zn and Sb molar ratios and with additions of different excess Zn quantities have been synthesized by direct component smelting followed by spark plasma sintering. The phase composition and structure of the materials have been studied using X-ray diffraction and transmission electron microscopy. The thermal conductivity and specific heat of the materials have been measured with laser flash and differential scanning calorimetry techniques. The phase composition of the as-synthesized, as-sintered and as-thermocycled Zn4+xSb3 thermoelectric material has been found to vary depending on excess Zn content in the charge. Excess Zn has been shown to dissolve in the β-Zn4Sb3phase upon spark plasma sintering and thermocycling. β-Zn4+xSb3 solid solution depletion of interstitial zinc atoms or ZnSb phase precipitation upon thermocycling increase the thermal conductivity and reduce the thermoelectric efficiency of the material. The Zn4.1Sb3 composition has shown high thermoelectric efficiency, the 715 K ZT being ∼1.23 and 1.18 before and after thermocycling, respectively.

Production of Cu/Zn Nanoparticles by Pulsed Laser Ablation in Liquids and Sintered Cu/Zn Alloy

As a preliminary step to establish technology for fabricating High-Entropy Alloys (HEAs) that can make a large-scale HEA using a pulse laser with high peak intensity and high-repetition in the future, we fabricated alloys in which two types of metal atom are mixed close together in the order of nanometers. For the method to produce the alloy, metal alloy nanoparticles were prepared by irradiating the material in liquid with focused high-repetition Q-switched laser pulses using an in-liquid laser ablation method. When brass powder was used as an original material, analysis results by TEM showed that numerous nanoparticles mixed with copper and zinc atoms could be produced. Furthermore, it was clarified by SEM EDS that copper and zinc atoms in the nanoalloy were maintained at a ratio of 3:1 in sintered alloy, and that the atoms were spatially uniformly distributed over a wide range in sintered metal.

Structural insights into an atypical histone binding mechanism by a PHD finger

Complex associating with SET1 (COMPASS) is a histone H3K4 tri-methyltransferase controlled by several regulatory subunits including CXXC zinc finger protein 1 (Cfp1). Prior studies established the structural underpinnings controlling H3K4me3 recognition by the PHD domain of Cfp1's yeast homolog (Spp1). However, metazoans Cfp1PHD lacks structural elements important for H3K4me3 stabilization in Spp1, suggesting that in metazoans, Cfp1PHD domain binds H3K4me3 differently. The structure of Cfp1PHD in complex with H3K4me3 shows unique features such as non-canonical coordination of the first zinc atom and a disulfide bond forcing the reorientation of Cfp1PHD N-terminus, thereby leading to an atypical H3K4me3 binding pocket. This configuration minimizes Cfp1PHD reliance on canonical residues important for histone binding functions of other PHD domains. Cancer-related mutations in Cfp1PHD impair H3K4me3 binding, implying a potential impact on epigenetic signaling. Our work highlights a potential diversification of PHD histone binding modes and the impact of cancer mutations on Cfp1 functions.

Ultrathin Zn(002) textured zinc anodes for dendrite-free and hydrogen evolution-inhibited zinc batteries

For practical rechargeable aqueous zinc-ion batteries, the long-term cycling stability of the zinc anode remains significantly constrained by its low utilization efficiency and the persistent challenge of hydrogen evolution. This study demonstrates the fabrication of ultrathin zinc electrodes with a robust Zn (002) texture while ensuring an adequate supply of zinc metal for use as an anode material. This approach effectively suppresses the tendency of zinc atoms to undergo deposition transformation due to dislocation-induced phenomena. Compared to zinc foils with higher deposition amount, the ultrathin Zn anode exhibits enhanced resistance to dendrite growth and interfacial side reactions. Assembled symmetrical cells based on this ultra-thin Zn anode show a cycle life of 1750 h (1 mAcm−2, 0.5 mAhcm−2), maintaining stable cycling for over 100h even at a high depth of discharge (DOD) of 46.23%. Additionally, the full cell couple with V10O24 exhibits a high initial capacity of 429.6 mAh g−1 and a capacity retention of 75.8% after 1000 cycles.

Hierarchically porous and single Zn atom-embedded carbon molecular sieves for H2 separations

Hierarchically porous materials containing sub-nm ultramicropores with molecular sieving abilities and microcavities with high gas diffusivity may realize energy-efficient membranes for gas separations. However, rationally designing and constructing such pores into large-area membranes enabling efficient H2 separations remains challenging. Here, we report the synthesis and utilization of hybrid carbon molecular sieve membranes with well-controlled nano- and micro-pores and single zinc atoms and clusters well-dispersed inside the nanopores via the carbonization of supramolecular mixed matrix materials containing amorphous and crystalline zeolitic imidazolate frameworks. Carbonization temperature is used to fine-tune pore sizes, achieving ultrahigh selectivity for H2/CO2 (130), H2/CH4 (2900), H2/N2 (880), and H2/C2H6 (7900) with stability against water vapor and physical aging during a continuous 120-h test.

Electrospun polysuccinimide scaffolds containing different salts as potential wound dressing material.

In this research, we applied electrospinning to create a two-component biodegradable polymeric scaffold containing polysuccinimide (PSI) and antibacterial salts. Antibacterial agents for therapeutical purposes mostly contain silver ions which are associated with high environmental impact and, in some cases, may cause undesired immune reactions. In our work, we prepared nanofibrous systems containing antibacterial and tissue-regenerating salts of zinc acetate or strontium nitrate in different concentrations, whose structures may be suitable for developing biomedical wound dressing systems in the future. Several experiments have been conducted to optimize the physicochemical, mechanical, and biological properties of the scaffolds developed for application as wound dressings. The scaffold systems obtained by PSI synthesis, salt addition, and fiber formation were first investigated by scanning electron microscopy. In almost all cases, different salts caused a decrease in the fiber diameter of PSI polymer-based systems (<500 nm). Fourier-transform infrared spectroscopy was applied to verify the presence of salts in the scaffolds and to determine the interaction between the salt and the polymer. Another analysis, energy-dispersive X-ray spectroscopy, was carried out to determine strontium and zinc atoms in the scaffolds. Our result showed that the salts influence the mechanical properties of the polymer scaffold, both in terms of specific load capacity and relative elongation values. According to the dissolution experiments, the whole amount of strontium nitrate was dissolved from the scaffold in 8 h; however, only 50% of the zinc acetate was dissolved. In addition, antibacterial activity tests were performed with four different bacterial strains relevant to skin surface injuries, leading to the appearance of inhibition zones around the scaffold discs in most cases. We also investigated the potential cytotoxicity of the scaffolds on human tumorous and healthy cells. Except for the ones containing zinc acetate salt, the scaffolds are not cytotoxic to either tumor or healthy cells.

Adsorption mechanisms of heavy metal atoms As, Pb, and Zn on thermally activated palygorskite Si–O/Mg–O (200) surfaces: A first-principles calculations

Heavy metal pollution on air, water, and soil is an issue of increasing global concern. Adsorption is widely recognized as one of the most effective methods for removing heavy metal pollution. The adsorption mechanisms of As (Arsenic), Pb (Lead), and Zn (Zinc) atoms on thermally activated palygorskite Si–O (200) and Mg–O (200) surfaces were investigated using first-principles calculations based on DFT. The coverage dependence of the adsorption configurations and energies on the most stable adsorption sites was also analyzed. The bridge site was found to be the most stable adsorption site for As and Pb on the Si–O (200) surface, while the adsorption energy of Zn was ＜ 0.1 eV on the surface. The adsorption capacity order of the surface was As > Pb ≫ Zn. On the Mg–O (200) surface, the hollow site was the most stable site for three heavy metal atoms. The adsorption energies of them gradually decreased with increasing coverage, thus indicating the lower stability of surface adsorption due to the repulsion of neighboring heavy metal atoms. The adsorption capacity of the Mg–O (200) surface followed the order of As > Pb > Zn. Further exploration was performed on the changes in structure and electronic properties within the adsorption process by studying the lattice relaxation, Bader charge, and electronic density of states (DOS) of the thermally activated palygorskite (200)/heavy metal atoms system.

Tuning Vertical Electrodeposition for Dendrites-Free Zinc-Ion Batteries.

Manipulating the crystallographic orientation of zinc deposition is recognized as an effective approach to address zinc dendrites and side reactions for aqueous zinc-ion batteries (ZIBs). We introduce 2-methylimidazole (Mlz) additive in zinc sulfate (ZSO) electrolyte to achieve vertical electrodeposition with preferential orientation of the (100) and (110) crystal planes. Significantly, the zinc anode exhibited long lifespan with 1500 h endurance at 1 mA cm-2 and an excellent 400 h capability at a depth of discharge (DOD) of 34% in Zn||Zn battery configurations, while in Zn||MnO2 battery assemblies, a capacity retention of 68.8% over 800 cycles is attained. Theoretical calculation reveals that the strong interactions between Mlz and (002) plane impeding its growth, while Zn atoms exhibit lower migration energy barrier and superior mobility on (100) and (110) crystal planes guaranteed the heightened mobility of zinc atoms on the (100) and (110) crystal planes, thus ensuring their superior ZIB performance than that with only ZSO electrolyte, which offers a route for designing next-generation high energy density ZIB devices.