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Layered manganese transition metal oxides, such as NaMnO2, have attracted great interest due to the low cost and high capacity. However, complex phase transitions in NaMnO2 lead to poor cycling stability. The introduction of Li doping has been confirmed to improve the performance of NaMnO2. O3-type NaLi1/3Mn2/3O2 (NLMO), synthesized in 2021, has demonstrated excellent electrochemical performance. Notably, irreversible Li interlayer migration (Li migrates from the transition metal layer to the alkali metal layer) has been observed during cycling, which is related to the electrochemical performance. Therefore, it is crucial to understand the mechanism underlying Li interlayer migration in O3-NLMO. However, the environment of Li interlayer migration on cycling is complex and involves interlayer spacing, Na-ion concentration, the degree of O-ion oxidation, and phase transition. Here, in this work, we utilized the first-principles method to decouple the coupling factors influencing the Li interlayer migration. Through analyzing the impact of the single-factor on Li interlayer migration, we aim to identify the crucial factors affecting this process. Our results show that a decrease in Na-ion concentration and an increase in O-ion oxidation degree promote the Li interlayer migration, while the O–P phase transition suppresses the Li interlayer migration. Interlayer spacing was found to play a less influential role in Li interlayer migration. Our investigations provide effective strategies for the subsequent regulation of Li interlayer migration. [ABSTRACT FROM AUTHOR]

Magnetometer cell wall coat molecules play an important role in preserving the lifetime of pumped alkali metal atoms for use in magnetometers that are capable of measuring very small magnetic fields. The goal of this study is to help rationalize the design of the cell coat molecules. Rubidium-87 is studied in terms of its interaction with three template cell coat molecules: ethane, ethene, and methyltrichlorosilane (MeTS). Ab initio electronic structure methods are applied to investigate the effect that the coat molecules have on the 2S ground state and 2P excited state of 87Rb. We find that, from the ab initio results, the three template molecules have differing effects, with MeTS having the largest effect on the ground state and ethane or ethene having the largest effect on the non-degenerate excited states. [ABSTRACT FROM AUTHOR]

Alkali metal doping of multi-walled carbon nanotubes is of great interest, both fundamentally to explore the effect of dopants on quasi-one-dimensional electrical systems and for energy applications such as alkali metal storage. We present an investigation with complementary photoemission and Raman spectroscopies, fully carried out in an ultra-high vacuum, to unveil the electronic and vibrational response of a forest of highly aligned multi-walled carbon nanotubes by in situ potassium doping. The charge donation by the alkali adatoms induces a plasmon mode, and the density of states undergoes an energy shift consistent with electron donation and band filling of the multi-walled carbon nanotube band structure. The π-states in the valence band and the Raman peaks unveil an evolution that can be ascribed to charge donation and partially to a tensile strain exerted by the K adatoms on the carbon lattice. All these effects are thermally reversible, fostering these materials as a potential system for electronic charge harvesting. [ABSTRACT FROM AUTHOR]

Alkali metal dosing has nowadays been extensively used in angle-resolved photoemission spectroscopy (ARPES) for the in situ surface electron doping of materials to provide access to the unoccupied states. This technique also gives rise to nontrivial physical phenomena, such as the appearance of quantum well states and effects due to alkali metal intercalation. Here, we uncovered a previously unobserved type of electronic behavior induced by alkali metal dosing. By employing ARPES to study the evolution of the electronic structure of the Ti2O3 thin film upon rubidium (Rb) dosing, we found that the electron chemical potential of the system remains unchanged throughout the process. Interestingly, a series of electron-like band dispersions first appear with Rb dosing. A further increase in the Rb dosage leads to the eventual disappearance of the electron-like bands and the emergence of a set of hole-like bands. Our finding enriches the phenomenology brought about by alkali metal surface dosing, suggesting a novel functionality of this popular surface doping technique. [ABSTRACT FROM AUTHOR]

Graphene oxide (GO) is a two-dimensional, mechanically strong, and chemically tunable material for separations. Elucidating GO–ion–water interactions at the molecular scale is highly important for predictive understanding of separation systems. However, direct observations of the nanometer region by GO surfaces under operando conditions are not trivial. Therefore, thin films of GO at the air/water interface can be used as model systems. With this approach, we study the effects of alkali metal ions on water organization near graphene oxide films at the air/water interface using vibrational sum frequency generation (SFG) spectroscopy. We also use an arachidic acid Langmuir monolayer as a benchmark for a pure carboxylic acid surface. Theoretical modeling of the concentration-dependent sum frequency signal from graphene oxide and arachidic acid surfaces reveals that the adsorption of monovalent ions is mainly controlled by the carboxylic acid groups on graphene oxide. An in-depth analysis of sum frequency spectra reveals at least three distinct water populations with different hydrogen bonding strengths. The origin of each population can be identified from concentration dependent variations of their SFG signal. Interestingly, an interfacial water structure seemed mostly insensitive to the character of the alkali cation, in contrast to similar studies conducted at the silica/water interface. However, we observed an ion-specific effect with lithium, whose strong hydration prevented direct interactions with the graphene oxide film. [ABSTRACT FROM AUTHOR]

The pseudopotentials and dispersion potentials are applied to a theoretical study of the hyperfine splitting frequencies of the ground-state paramagnetic hydrogen (H) and alkali-metal (Li, Na, K, Rb, and Cs) atoms in noble gases (He, Ne, Ar, Kr, and Xe). Using classical turning points for statistical averages, we find that numerical calculations based on second-order perturbation theory fit the measured frequency shifts well over a wide temperature range. The characteristic energy, pseudopotential height, and electric-dipole polarizability allow us to consistently determine the van der Waals radii and electron scattering lengths of noble-gas atoms. This study shows that the hyperfine splitting frequency of alkali-metal atoms is a good measure for investigating colliding partners. [ABSTRACT FROM AUTHOR]

Machine learning interatomic potentials have emerged as a powerful tool for bypassing the spatiotemporal limitations of ab initio simulations, but major challenges remain in their efficient parameterization. We present AL4GAP, an ensemble active learning software workflow for generating multicomposition Gaussian approximation potentials (GAP) for arbitrary molten salt mixtures. The workflow capabilities include: (1) setting up user-defined combinatorial chemical spaces of charge neutral mixtures of arbitrary molten mixtures spanning 11 cations (Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba and two heavy species, Nd, and Th) and 4 anions (F, Cl, Br, and I), (2) configurational sampling using low-cost empirical parameterizations, (3) active learning for down-selecting configurational samples for single point density functional theory calculations at the level of Strongly Constrained and Appropriately Normed (SCAN) exchange-correlation functional, and (4) Bayesian optimization for hyperparameter tuning of two-body and many-body GAP models. We apply the AL4GAP workflow to showcase high throughput generation of five independent GAP models for multicomposition binary-mixture melts, each of increasing complexity with respect to charge valency and electronic structure, namely: LiCl–KCl, NaCl–CaCl2, KCl–NdCl3, CaCl2–NdCl3, and KCl–ThCl4. Our results indicate that GAP models can accurately predict structure for diverse molten salt mixture with density functional theory (DFT)-SCAN accuracy, capturing the intermediate range ordering characteristic of the multivalent cationic melts. [ABSTRACT FROM AUTHOR]

During the operation of the waste liquid incinerator, the alkali metal slag might adhere to the surface of the refractory material to form an inhomogeneous solid slag layer, causing the furnace lining to be simultaneously corroded by three phases of alkali metals: vapor, molten salt, and slag. This phenomenon intensifies the damage to the refractory material. Therefore, this paper investigates the mass transfer and permeation process, phase change process and corrosion rate of Na 2 CO 3 inside corundum refractory materials in three phases: Na vapor, molten Na 2 CO 3 and Na-slag. The results showed that alkali vapor penetrated the interior through the pores, and the NaAlO 2 and β-Al 2 O 3 generated by the reaction led to the volume expansion and microcracks. Na vapor continued to penetrate the interior along the cracks and eroded the sample, and the higher the temperature the greater Na vapor penetration. In vapor phase corrosion, the effect of corrosion time on the erosion resistance of corundum refractories is less than that of temperature, and the increase in corrosion time does not lead to the formation of additional new phases. In the molten salt corrosion experiments, it was found that the molten salt corrosion was accompanied by vapor phase corrosion at 1100 °C, and the amount of Na 2 CO 3 has a greater effect on the corroded mass than the temperature. Comparing the corrosion of refractory materials by the three phases of Na 2 CO 3 , the molten salt corrosion rate was the highest, followed by the vapor phase corrosion, and finally the slag corrosion. It is concluded that the slag layer can effectively prevent the corrosion of the refractory material by alkali metal molten salts and vapors, thus prolonging the service life of refractories. [ABSTRACT FROM AUTHOR]

The document is the contents list for the journal "Chemical Communications" published on September 14, 2024. It includes highlights, feature articles, and communications on various topics in chemistry. Some of the topics covered include transition metal complexes, electrochemical biosensors, and photochemical catalysis. The journal is published by The Royal Society of Chemistry, a leading chemistry community. [Extracted from the article]

Chemical reduction of a vertically expanded pentacene, TIPS-peri-pentacenopentacene (TIPS-PPP), with sodium metal in THF readily afforded a doubly-reduced product isolated as [{Na+(THF)3}2(TIPS-PPP2−)]. Single-crystal X-ray diffraction revealed the formation of a π-complex of TIPS-PPP2− with two {Na+(THF)3} moieties. The sodium ion is coordinated to three C-atoms at the most negatively charged edge sites and at the lateral ethynyl group. The delocalisation of the charge on the ethynyl function is accompanied by its notable elongation (Δ = 0.015 Å) coupled with the contraction of the adjacent single C–C bond (Δ = 0.033 Å). Bond length analysis supported by Harmonic Aromaticity Oscillator Model (HOMA) shows that the dianion can be written with four aromatic sextets in agreement with the Clar representation. Although TIPS-PPP2− has 36 π-electrons (4n), it does not show a global magnetic paratropic response. The rings with the most negative charge density have a very low paratropic response, while the other rings have a low diatropic response. Overall, the dianion is a non-aromatic molecule. [ABSTRACT FROM AUTHOR]

A facile room-temperature synthetic method is presented to produce alkali metal salts of tert-butyl phosphonic acid. The reaction between equimolar amounts of alkali metal carbonates and tert-butyl phosphonic acid in methanol results in the formation of [(tBuPO3H)Li(H2O)3•(H2O)] (1), [(tBuPO3)Na2(H2O)4]n (2), and [(tBuPO3H)K(H2O)]n (3). Solid-state structures of these compounds have been confirmed by single-crystal X-ray diffraction studies and further validated using numerous spectroscopic and analytical techniques. Compounds 1--3 are polymeric solids that are predominantly made up of a 1-D polymeric metal phosphonate chain. This synthetic approach leads to the formation of network structures/polymers in the solid state that otherwise are absent in solution due to the ionic nature of the interaction between the alkali metal ions and phosphonate anions. Apart from the multidentate nature of the phosphonate ligands, additional hydrogen bonding interactions involving water molecules, free P--OH groups, and P O moieties allow these chains to be propagated into 2-D sheets. We have further utilized the completely metalated sodium phosphonate 2 to synthesize layered metal phosphonates [(tBuPO3)Ca(H2O)]n (4), [(tBuPO3)Mn(H2O)]n (5) and [(tBuPO3)Co(H2O)]n (6) via a simple metathesis reaction. [ABSTRACT FROM AUTHOR]

Ammonia decomposition to H2 (ADH) is one of the key reactions in the ammonia‐based energy system. Recent research has been focused on developing more active and affordable catalysts, however, few can operate below 500 °C and typically require the expensive metal ruthenium. Herein, a fundamentally different thermal ADH via a chemical looping process (CLADH) mediated by alkali metal and its amide pairs, which can work under lower temperatures than the catalytic process, is reported. This CLADH consists of two steps: 1) Ammoniation step ̶ NH3 reacts with Na or K to generate NaNH2 or KNH2, respectively, accompanied by releasing one‐third of H2 in NH3 at room temperature; 2) Decomposition step ̶ NaNH2 or KNH2 decomposes to N2 and H2 with the regeneration of Na or K which can be performed above 275 °C. Additionally, due to the significant enthalpy change in the two‐step reactions of this CLADH, −78.0 kJ mol−1 for the first step and 123.9 kJ mol−1 for the second, using the Na and NaNH2 pair—suggest potential for thermal energy storage. This work not only reports an alternative route to produce H2 from NH3, but also unravels the potential of chemical looping process for thermal energy storage. [ABSTRACT FROM AUTHOR]

Layered honeycomb iridates receive significant attention in the materials chemistry and physics fields due to the relevance of their crystal structures to the Kitaev model of a quantum spin liquid (QSL). In quest of liquid‐like magnetic ground state signatures, first‐generation alkali metal iridates A2IrO3 ≡ A3[AIr2]O6 (A = Li, Na) and second‐generation iridates T3[AIr2]O6 (T = Cu, Ag, H) are developed. T3[AIr2]O6 is synthesized from A3[AIr2]O6 via metathesis reactions replacing alkali ions located between honeycomb layers. Herein, the next level of chemical and structural complexity is introduced by synthesizing the honeycomb iridate, Cu3ZnIr2O6, in which alkali ions between and within the honeycomb layers are both selectively exchanged with two different transition metals. Analysis of powder X‐Ray diffraction data reveals corrugation of the honeycomb layers in Cu3ZnIr2O6 that hinders complete magnetic frustration and results in a spin glass behavior observed from magnetization and specific heat data. Thus, Cu3ZnIr2O6 represents yet another model, which broadens understanding of intricate relationships between intralayer distortions and magnetism of prospective Kitaev QSL compounds. [ABSTRACT FROM AUTHOR]

The structural flexibility of the perovskite blocks in the Dion-Jacobson family of layered perovskite oxides has successfully resulted in the generation of KPrNa n-2 Nb n O 3n+1 and KPrCa n-2 Nb 2 Ti n-2 O 3n+1 (n = 3, 4). The stabilization of K+ ions preferring a six coordination in the interlayer region is significant compared to the facile formation of layered perovskite oxides possessing bigger Rb+ or Cs+ ions with an eight coordination in the interlayer. The structure of the n = 3 members, KPrNaNb 3 O 10 (S. G. Cmcm ; a = 3.8858(1) Å, b = 29.6553(9) Å, c = 7.7635(3) Å) and KPrCaNb 2 TiO 10 (S. G. Cmcm ; a = 3.8634(2) Å, b = 29.4808(2) Å, c = 7.6945(5) Å) were confirmed respectively using the Rietveld and Le Bail methods utilizing the powder X-ray diffraction data. The n = 4 members, KPrNa 2 Nb 4 O 13 and KPrCa 2 Nb 2 Ti 2 O 13 are synthesized through high-temperature ceramic methods. The compounds are phase pure as confirmed from the X-ray diffraction data and were characterized by UV–visible diffuse reflectance measurements. These two-dimensional oxides also undergo facile topochemical ion-exchange and intercalation reactions and opens up several interesting possibilities. We have replaced the K+ ions in the interlayer by H+, Li+, Na+ ions and [CuCl]+ groups through low temperature reactions. The usefulness of various Dion-Jacobson layered perovskite oxides for potential photocatalytic applications has been explored by determining the optical band gaps, the valence band, and the conduction band energy levels based on the UV–visible diffuse reflectance measurements. [ABSTRACT FROM AUTHOR]

Radiative cooling pigments offer new opportunities for sustainable carbon neutrality as zero‐energy and zero‐pollution functional materials. However, it is a challenge to prepare inorganic yellow pigments simultaneously with environmentally friendly, high color value, and weather resistance. In this study, a series of alkali metal‐doped γ‐Sm2S3 yellow pigments with near‐infrared reflectance were synthesized. The doping of alkali metal ions reduced synthesis temperature of Sm2S3 from 1300°C to 1000°C. The change in energy band structure induced by alkali metal doping allows the products to exhibit modifiable colors. Typical γ‐[Na]‐Sm2S3 pigment powders have a high near‐infrared reflectance and impressive colors (b* = 78.6, C* = 77.6). Furthermore, colored films made by prepared yellow powders with polyvinylidene fluoride in certain ratios had high near‐infrared reflectance and excellent environmental weathering, resulting in an effective cooling of 4–8°C in outdoor experiments. This work expands the range of options for energy‐efficient building and yellow colorant. [ABSTRACT FROM AUTHOR]

The distribution of rare alkalis (Li, Rb, and Cs) is analyzed in spatially linked water objects of the Baikal geosystem: water of Baikal and its tributaries, underground water from boreholes and thermal springs, and the Angara River (the sole outlet), which are located in the Baikal rift zone. The rare alkali content differs significantly in some water objects, but the average and median contents are similar in the surface and deep water of Lake Baikal and the Angara River. The water of Barguzin thermal springs of the eastern shore of Lake Baikal contains the maximum amount of rare alkalis, but this affects the Baikal water insignificantly due to its natural self-cleaning and deep renewal of water during geodynamic movements. The similar rare alkali contents of Barguzin and some thermal springs of Kamchatka emphasize their indicator role in the genesis of water objects. [ABSTRACT FROM AUTHOR]

Borosilicate glasses possess excellent melting properties and high stability against chemical attack by aqueous solutions, enabling this glass family to be used in various fields. In this article, we design a novel glass network in order to achieve a chemically robust glass with a low melting temperature. Therefore, the substitution effect of Na2O by MgO, Al2O3, Li2O, and K2O on the chemical durability and melting properties of sodium aluminosilicate glass (i.e., 80SiO2‒5Al2O3‒15Na2O [mol%]) was examined using a standard hydrolytic resistance test and viscosity measurement. Interestingly, we found that the partial replacement of Na2O by Al2O3, Li2O, and K2O (i.e., 80SiO2‒5Al2O3‒15Na2O → 80SiO2‒6.5Al2O3‒9Li2O‒2.25Na2O‒2.25K2O) makes the glass network with chemical durability and melting properties comparable to those of the commercial borosilicate network, resulting in a low HCl consumption of 0.04 mL/g and working temperature of 1238°C (i.e., temperature at viscosity 104 dPa s). The structural characterizations indicate that the high chemical stability of this glass composition originates from the abundance of SiO4 tetrahedrons with three and four bridging oxygen in the glass network as well as the increase in cationic field strength of mixed alkali ions. These excellent melting properties and superior chemical durability of glass imply the possibility of using the mixed alkali metal oxides aluminosilicate glass together with the commercial borosilicate glass in the markets for numerous practical applications. [ABSTRACT FROM AUTHOR]

Flexible organic light-emitting diodes (OLEDs) are promising light sources for biomedical applications. However, the use of these flexible devices has been restricted by their short shelf lifetimes due to poor ambient stability. Here, the fabrication of a long-lived flexible OLED is reported by replacing air-sensitive metals such as aluminum, and alkali metals used as n dopants, with silver. In addition, to achieve stable and efficient flexible OLEDs we tuned the optical cavity length to the second-order interference maximum. The device design has simple encapsulation and leads to an improvement in the air stability of flexible OLEDs which show a shelf lifetime of greater than 130 days whereas the conventional structure exhibits degradation after only 12 days. The proposed design for making flexible OLEDs demonstrates a great potential for using the devices for wearable bioelectronic applications. [ABSTRACT FROM AUTHOR]

In alkali metal‐doped optical temperature measurement materials, the influence of the electronegativity difference of alkali metal ions on optical temperature measurement performance is rarely reported. This study investigates and analyzes the performance of optical temperature measurement of Na0.5Gd0.5TiO3: Yb, Er doped with Li+ and K+ ions, utilizing the Judd‐Ofelt theory and the first‐principles method. The results reveal that the sensitivities increase with the increase of atomic number of doped alkali metal ions. The reason is that a difference in ionic radius between the dopant and the replaced ion decreases the symmetry of the crystal field and increases the value of Ω2. The doping K+ with low electronegativity leads to an increase in the s orbital electron density of rare earth ions, thereby repelling the d orbital electrons, reducing the d electron density, and decreasing the value of Ω6. Based on the Judd‐Ofelt theory, a combination of a large Ω2 and a small Ω6 is expected to enhance the absolute sensitivity of optical temperature‐measuring materials doped with rare earth ions. Therefore, it can be concluded that doping an ion with low electronegativity and a significant radius difference from the substitution site is beneficial for enhancing the optical temperature sensitivity. [ABSTRACT FROM AUTHOR]

A series of homoleptic Ni bis‐1,1‐dithiolates, [Ni(S2C2RR′)2]2− (R=CN, R′=CN, CO2Et, CONH2, Ph, Ph‐4‐Cl, Ph‐4‐OMe, Ph‐4‐NO2, Ph‐3‐CF3, Ph‐4‐CF3, Ph‐4‐CN; R=NO2, R′=H; R=R′=CO2Et) have been synthesized from the reaction of the alkali metal salt of the ligand and nickel chloride, and isolated as tetraphenylphosphonium or tetrabutylammonium salts. The complexes were characterized by X‐ray crystallography, high‐resolution mass spectrometry, and infrared (IR), nuclear magnetic resonance (NMR) and electronic absorption spectroscopies. The molecular structures show a rigidly square planar Ni(II) center linking two four‐membered chelate rings whose dimensions are constant across the series. The electronic effect of the ligand substituent is revealed in the 13C NMR and electronic spectra, and corroborated by density functional calculations. Electron withdrawing groups deshield the low‐field CS2 resonance, and the signature charge transfer band in the visible region is red‐shifted. These observables have been accurately reproduced computationally, and revealed the Ni contribution to the ground state diminishes with decreasing electron withdrawing capacity of the ligand substituent. In contrast to 1,2‐dithiolates, the redox inactivity afforded by 1,1‐dithiolates stems from the smaller chelate ring and substantially reduced sulfur content that is key to stabilizing the radical form. [ABSTRACT FROM AUTHOR]

MXene is investigated as an electrode material for different energy storage systems due to layered structures and metal‐like electrical conductivity. Experimental results show MXenes possess excellent cycling performance as anode materials, especially at large current densities. However, the reversible capacity is relatively low, which is a significant barrier to meeting the demands of industrial applications. This work synthesizes N‐doped graphene‐like carbon (NGC) intercalated Ti3C2Tx (NGC‐Ti3C2Tx) van der Waals heterostructure by an in situ method. The as‐prepared NGC‐Ti3C2Tx van der Waals heterostructure is employed as sodium‐ion and lithium‐ion battery electrodes. For sodium‐ion batteries, a reversible specific capacity of 305 mAh g−1 is achieved at a specific current of 20 mA g−1, 2.3 times higher than that of Ti3C2Tx. For lithium‐ion batteries, a reversible capacity of 400 mAh g−1 at a specific current of 20 mA g−1 is 1.5 times higher than that of Ti3C2Tx. Both sodium‐ion and lithium‐ion batteries made from NGC‐Ti3C2Tx shows high cycling stability. The theoretical calculations also verify the remarkable improvement in battery capacity within the NGC‐Ti3C2O2 system, attributed to the additional adsorption of working ions at the edge states of NGC. This work offers an innovative way to synthesize a new van der Waals heterostructure and provides a new route to improve the electrochemical performance significantly. [ABSTRACT FROM AUTHOR]

Functionalized graphene with alkali or alkaline metals is a potential candidate for H 2 adsorption and storage at pressures equal to or below 100 bar. A rigorous study was conducted to understand the effect of functionalizing Few Layers Graphene (FLG) with Li and Ca atoms on the hydrogen uptake and its interaction with pressure, temperature, and pore width. The results show a complex interplay between the added weight of the functionalized atoms and the increased solid–fluid interactions finding a nonlinear relationship between the degree of functionalization and the adsorption uptake. It was found that Li-FLG and Ca-FLG can match and exceed 65 mg H 2 /g at low temperatures and high pressure. • Monte Carlo simulations were utilized to investigate the impact of Li and Ca functionalization on H 2 uptake in FLG. • Functionalization of Li and Ca can increase H 2 adsorption up to 10 times compared to pristine FLG. • FLG functionalized with Li and Ca can reach an adsorption of 65 mg/g with pores wider than 14 Å. • Ca can replace Li at low metallic coverages, keeping a similar H 2 uptake. [ABSTRACT FROM AUTHOR]

The document is a contents list for the journal "Chemical Communications" published in 2024. It includes various articles on topics such as latent fingerprint detection, MXene materials in electrochemical energy storage systems, sustainable production of metal-organic frameworks, and more. The journal is published by The Royal Society of Chemistry, a leading chemistry community. The document provides a brief overview of the articles included in the journal issue, allowing library patrons to quickly identify relevant research topics. [Extracted from the article]

In this work, alkali metal Rb-loaded ZnO/In2O3 heterojunctions were synthesized using a combination of hydrothermal and impregnation methods. The morphology and structure of the synthesized samples were characterized by X-ray diffraction, field emission scanning electron microscopy, and transmission electron microscopy. The enhancement mechanism of the nitrogen dioxide gas sensing performance of the Rb-loaded ZnO/In2O3 heterojunctions was systematically investigated at room temperature using density-functional theory calculations and experimental validation. The experimental tests showed that the Rb-loaded ZnO/In2O3 sensor achieved an excellent response value of 24.2 for 1 ppm NO2, with response and recovery times of 55 and 21 s, respectively. This result is 20 times higher than that of pure ZnO sensors and two times higher than that of ZnO/In2O3 sensors, indicating that the Rb-loaded ZnO/In2O3 sensor has a more pronounced enhancement in performance for NO2. This study not only revealed the mechanism by which Rb loading affects the electronic structure and gas molecule adsorption behavior on the surface of ZnO/In2O3 heterojunctions but also provides theoretical guidance and technical support for the development of high-performance room-temperature NO2 sensors. [ABSTRACT FROM AUTHOR]

Phosphaphenalenes, extended π conjugates with the incorporation of phosphorus, are attractive avenues towards molecular materials for the applications in organic electronics, but their electron accepting ability have not been investigated. Herein we present systematic studies on the reductive behavior of a representative phosphaphenalene and its oxide by chemical and electrochemical methods. The chemical reduction of the phosphaphenalene by alkali metals reveals the facile P−C bond cleavage to form phosphaphenalenide anion, which functions as a transfer block for structure modification on the phosphorus atom. In contrast, the pentavalent P‐oxide reacts with one or two equivalents of elemental sodium to form stable radical anion and dianion salts, respectively. [ABSTRACT FROM AUTHOR]

Cyanurate or isocyanurate compounds containing plane π-conjugated groups usually have giant optical anisotropy, which are promising candidates for optoelectronic functional materials. In this work, a new alkali-metal isocyanurate was successfully synthesized by a hydrothermal method, namely Cs3(H2C3N3O3)3(H3C3N3O3)·3H2O, belonging to the triclinic crystal and P1¯ space group. The compound has two-dimensional layers constructed with (H2C3N3O3)− and (H3C3N3O3) six-membered rings extending along the ab plane. The characterization results show that it exhibits a wide band gap (5.03 eV) and a large birefringence (0.23 at 1064 nm). In addition, in order to evaluate the relationship between the crystal structure and its optical properties, the first-principles calculation was also carried out. This work provided a possible candidate for anisotropic optical crystals applied in the ultraviolet region. [ABSTRACT FROM AUTHOR]

The document is a contents list for the journal CrystEngComm. It highlights various papers that have been published in the journal, covering topics such as the study of defects in crystals, heterojunctions for enhanced photocatalytic activity, reduction of oxygen concentration in silicon crystal growth, structural diversity of substituted thiacalixarene, synthesis of composite anode materials for Li-ion batteries, synthesis and characterization of alkali-metal isocyanurate, tunable emission properties of supramolecular compounds, analysis of crystal packing interactions, and the role of substituents on the molecular and electronic structures of dinuclear complexes. The journal is published by the Royal Society of Chemistry, a leading chemistry community. [Extracted from the article]

We herein reported, a visible‐light‐induced K2S2O8 mediated cascade reaction of 3‐(2‐isocyanoethyl)indoles with α‐oxocarboxylic acids leading to diastereoselective synthesis of polycyclic spiroindolines bearing an N‐formyl unit derivative utilising the alkali metal salt K2S2O8 as a mediator under mild reaction conditions. This study offers an illustration of α‐oxocarboxylic acids and 3‐(2‐isocyanoethyl)indoles‐based reactions as it shows the involvement of glyoxolate ions without decarboxylation to access polycyclic spiroindolines bearing an N‐formyl unit analogue. The batch process can be extended to a continuous flow system using a glass tube loaded with K2S2O8 placed between the PFA capillary reactor, which can greatly advance the reaction efficiency and can even be promoted to gram‐scale synthesis. [ABSTRACT FROM AUTHOR]

Applying lattice strain to thin films, a critical factor to tailor their properties such as stabilizing a structural phase unstable at ambient pressure, generally necessitates heteroepitaxial growth to control the lattice mismatch with substrate. Therefore, while homoepitaxy, the growth of thin film on a substrate made of the same material, is a useful method to fabricate high‐quality thin films, its application to studying strain‐induced structural phases is limited. Contrary to this general belief, here the quasi‐homoepitaxial growth of Cs and Rb thin films is reported with substantial in‐plane compressive strain. This is achieved by utilizing the alkali‐metal layer existing in bulk crystal of kagome metals AV3Sb5 (A = Cs and Rb) as a structural template. The angle‐resolved photoemission spectroscopy measurements reveal the formation of metallic quantum well states and notable thickness‐dependent quasiparticle lifetime. Comparison with density functional theory calculations suggests that the obtained thin films crystalize in the face‐centered cubic structure, which is typically stable only under high pressure in bulk crystals. These findings provide a useful approach for synthesizing highly strained thin films by quasi‐homoepitaxy, and pave the way for investigating many‐body interactions in Fermi liquids with tunable dimensionality. [ABSTRACT FROM AUTHOR]

The exploration of nonlinear optical crystals with ultraviolet (UV) transparent ranges and easy-to-grow large-size crystals is one of the current research interests. Herein, by combining borate and phosphate groups, a novel congruently melting alkali-mixed metal borophosphate, Li3Na7B4P6O26 (LNBPO) with UV transparency was successfully designed and synthesized using a high-temperature flux method. LNBPO crystallizes in the non-centrosymmetric (NCS) and polar orthorhombic space group Pca21 (no. 29), showcasing interesting (B2P3O13)∞ chains along the c axis. Notably, LNBPO has a moderate second harmonic generation (SHG) response (∼0.38 × KDP) and displays a wide transmission ranging from 0.22 to 3.68 μm, as measured by a [001]-oriented crystal wafer. Furthermore, a high-quality single crystal of LNBPO with sizes up to 14 × 14 × 12 mm3 was grown using the top-seeded solution growth method. The refractive indices of LNBPO were determined by applying the minimum deviation angle method. These results show that LNBPO possesses a phase-matching wavelength as short as 483 nm, indicating its potential as a new UV NLO crystal. [ABSTRACT FROM AUTHOR]

Aromatic alkali metal reagents are prepared through the spontaneous reaction between alkali metals and aromatic compounds in aprotic solvents. This reaction involves the transfer of electrons from the alkali metal to the aromatic compound, resulting in the formation of radical anions. The properties of aromatic alkali metal reagents vary depending on the choice of aromatic compounds, alkali metals, and aprotic solvents. These reagents have found extensive applications in fields such as anionic polymerization, chemical prelithiation of electrode materials and ionintercalation-assisted exfoliation of two-dimensional materials. Despite their promising applications, the introduction of aromatic alkali metal compounds in most basic chemistry textbooks is limited. This article aims to address this gap by providing a comprehensive review of the structure, properties, and recent advances in the application of aromatic alkali metal reagents. By expanding the coverage of these reagents in teaching, it will contribute to broadening students' understanding of cutting-edge scientific research, enhancing their scientific literacy, and promoting the reform of undergraduate chemistry education. [ABSTRACT FROM AUTHOR]

Porous hard carbon with good cycling durability attracts much attention in the application of sodium ions batteries as anode material, but the commonly used alkali metal ion-activation strategy with complex processes still renders its development. Herein, a simple and scalable method is proposed to synthesize hierarchical porous hard carbon. Benefitting from the efficient self-activation strategy, the hierarchical micro–mesoporous hard carbon (MMHC) with large interlayer distance possesses high specific surface area of 704.1 m2 g−1, which can provide shorter ionic diffusion path and much more accessible electrochemical active sites in the carbonaceous structure and then lead to fast sodium ion diffusivity kinetics (3.5 × 10–9 cm2 s−1). In consequence, MMHC electrode delivers high specific capacity of 214.3 mAh g−1 at 50 mA g−1, 118.3 mAh g−1 at 500 mA g−1 after 1000 cycles and 47.4 mAh g−1 even at 4000 mA g−1. Notably, the capacity contribution ratio from low-voltage range is enhanced with engineering micro–mesoporous structure (from 28.5% for HC to 37.7% for MMHC). Promisingly, the hierarchical micro–mesoporous hard carbon holds great potential in commercial sodium ions batteries. [ABSTRACT FROM AUTHOR]

A submersible annular linear induction pump (ALIP) design with an outer diameter of 66.8 mm with appropriate materials is developed for circulating molten lead and alkali liquid metals of sodium and sodium-potassium-78 (NaK-78) alloy in test loops at temperatures up to 500°C. These loops investigate the compatibility of these liquid coolants with nuclear fuel and structure materials to support the development of advanced, Generation IV nuclear reactors. The present ALIP, which employs high-temperature ceramic-insulated coil wires and Hiperco-50 center core and stators, fits in Type 316 stainless steel, 2.5-in. standard schedule 5 pipe. This pipe, considered for the riser tube of the Versatile Test Reactor (VTR) in-pile test cartridge loop, has an inner diameter of 68.8 mm permitting 1.0-mm radial clearance for the present ALIP. An improved equivalent circuit model (ECM) is developed to analyze the performance of the present ALIP design. The accuracy of the model predictions is successfully validated using reported experimental measurements by other investigators for a low liquid sodium flow ALIP at 200°C and 330°C. The improved ECM calculates the performance characteristics of the present ALIP design and investigates the effects of varying the terminal voltage, current frequency, winding wire diameter, center core length, width of the liquid flow annulus, and working fluid properties and temperature on the pump operation. For circulating molten lead, the calculated peak efficiency of the present ALIP design of 6.7% occurs at a flow rate of 9.5 kg/s and pumping pressure of 263 kPa. The calculated peak efficiency for circulating liquid sodium is much higher, 26.3%, and occurs at a lower flow rate of 2.2 kg/s but a higher pumping pressure of 364 kPa. The calculated peak efficiency for circulating NaK-78 (23%) is lower than for sodium and occurs at a lower flow rate and pumping pressure of 1.9 kg/s and 310 kPa, respectively. [ABSTRACT FROM AUTHOR]

This paper reports on computational results of continuum spectra of atomic lithium in white-dwarf-strength magnetic fields. The adiabatic-basis-expansion method with R -matrix propagation has been used to study photoionization of magnetized alkali metal atoms. The R -matrix propagation technique and the two-dimensional matching scheme were utilized to obtain wavefunctions of the continuum states. Cross-sections of photoionization are calculated for lithium atoms in magnetic fields. Continuum spectra for its various bound-free transitions in magnetic white dwarf stars are presented as a function of field strengths ranging from 11.75 to 117.50 MG. Comparison is made between continuum spectra of diamagnetic hydrogen and lithium atoms. The comparison shows good agreement or remarkable difference for final continuum states with different symmetries in the photoionization processes concerned. A detailed analysis has been performed to understand the obtained results. The good agreement displayed manifests the reliability of the extended adiabatic-basis-expansion method. This method is suited to produce a large number of photoionization cross-section data for alkali metal atoms in a strong magnetic field, and therefore can serve as a tool to simulate continuum spectra observed in the atmospheres of magnetic white dwarfs with alkali metal atoms. [ABSTRACT FROM AUTHOR]

While organoelement compounds of lithium, sodium and potassium have been much studied for decades and consequently have found forests of applications, those of the heavier alkali metals, rubidium and caesium would barely manage to fill a tree. However, recently the literature has seen some little growth spurts with these metals, hinting at a possible fertile future in areas such as homogeneous catalysis provided more work is put into their fundamental development. Here we report the synthesis and crystal structures of lithium, rubidium and caesium derivatives of the ureaphosphane Ph2PCH2CH2NHC(=O)NHPh, chosen because it offers O, N, P, and π‐coordination sites. Though one may expect such alkali metal compounds to be essentially similar, the caesium complex has novel features where Cs+ engages in a side‐on coordination to the C=O bond and in a weak bond to the P centre, both of which are absent in the Rb structure. Less surprisingly, the lithium derivative is tetrameric in contrast to the infinite networks of the rubidium and caesium structures. All alkali metal derivatives were made with deprotonating the ureaphosphane by a suitable base, including the sodium and potassium complexes though these two complexes could not be obtained in a crystalline form. [ABSTRACT FROM AUTHOR]

Alkali metals (Li, Na, and K) are deemed as the ideal anode materials for next-generation high-energy-density batteries because of their high theoretical specific capacity and low redox potentials. However, alkali metal anodes (AMAs) still face some challenges hindering their further applications, including uncontrollable dendrite growth and unstable solid electrolyte interphase during cycling, resulting in low Coulombic efficiency and inferior cycling performance. In this regard, designing 3D current collectors as hosts for AMAs is one of the most effective ways to address the above-mentioned problems, because their sufficient space could accommodate AMAs' volume expansion, and their high specific surface area could lower the local current density, leading to the uniform deposition of alkali metals. Herein, we review recent progress on the application of 3D Cu-based current collectors in stable and dendrite-free AMAs. The most widely used modification methods of 3D Cu-based current collectors are summarized. Furthermore, the relationships among methods of modification, structure and composition, and the electrochemical properties of AMAs using Cu-based current collectors, are systematically discussed. Finally, the challenges and prospects for future study and applications of Cu-based current collectors in high-performance alkali metal batteries are proposed. [ABSTRACT FROM AUTHOR]

Various copper-related defects in the absorption layer have been a key factor impeding the enhancement of the efficiency of Cu2ZnSn(S,Se)4 (CZTSSe) solar cells. Alkali metal doping is considered to be a good strategy to ameliorate this problem. In this article, Rb-doped CZTSSe (RCZTSSe) thin films were synthesized using the sol–gel technique. The results show that the Rb atom could successfully enter into the CZTSSe lattice and replace the Cu atom. According to SEM results, a moderate amount of Rb doping aided in enhancing the growth of grains in CZTSSe thin films. It was proven that the RCZTSSe thin film had the densest surface morphology and the fewest holes when the doping content of Rb was 2%. In addition, Rb doping successfully inhibited the formation of CuZn defects and correlative defect clusters and promoted the electrical properties of RCZTSSe thin films. Finally, a remarkable power conversion efficiency of 7.32% was attained by the champion RCZTSSe device with a Rb content of 2%. Compared with that of un-doped CZTSSe, the efficiency improved by over 30%. This study offers new insights into the influence of alkali metal doping on suppressing copper-related defects and also presents a viable approach for improving the efficiency of CZTSSe devices. [ABSTRACT FROM AUTHOR]

Reaction of lithium 1,3‐diamidopropane Li2(TripNCN) (TripNCN=[{(Trip)NCH2}2CH2]2−, Trip=2,4,6‐triisopropylphenyl) with BeBr2(OEt2)2 gave the diamido beryllium complex, [(TripNCN)Be(OEt2)]. Deprotonation reactions between the bulkier 1,3‐diaminopropane (TCHPNCN)H2 (TCHPNCN=[{(TCHP)NCH2}2CH2]2−, TCHP=2,4,6‐tricyclohexylphenyl) and magnesium alkyls afforded the adduct complexes [(TCHPNCN)Mg(OEt2)] and [(TCHPNCN)Mg(THF)2], depending on the reaction conditions employed. Treating [(TCHPNCN)Mg(THF)2] with the N‐heterocyclic carbene :C{(MeNCMe)2} (TMC) gave [(TCHPNCN)Mg(TMC)2] via substitution of the THF ligands. Reactions of (ArNCN)H2 (Ar=Trip or TCHP) with Mg{CH2(SiMe3)}2, in the absence of Lewis bases, yielded the N‐bridged dimers [{(ArNCN)Mg}2]. Salt metathesis reactions between alkali metal salts M2(TCHPNCN) (M=Li or K) and CaI2 or SrI2 led to the THF adduct compounds [(TCHPNCN)Ca(THF)3] and [(TCHPNCN)Sr(THF)4], the differing number of THF ligands in which is a result of the different sizes of the metals involved. The described complexes hold potential as precursors to kinetically protected, low oxidation state group 2 metal species. [ABSTRACT FROM AUTHOR]

Zeolites HY with different hydrophobicity having Si/Al ratios of 10, 100 and 750 were modified by an ion exchange process with nitrate solutions of alkali cations in the concentration range 0.1 - 100 mM. The modified samples were characterized by ICP-OES, XRD and surface analysis with N2-adsorption. The ethylene adsorptivities of these modified zeolites were measured under degassed and non-degassed conditions. All zeolites showed the enhancement in ethylene adsorptivity upon modification, while the K+ ions modified ones showed the best enhancement. The modified hydrophobic zeolites with Si/Al ratios of 100 and 750 showed no differences in adsorptivity under the degassed and non-degassed conditions. However, for less hydrophobic zeolite (Si/Al = 10), the adsorption under the degassed condition was much higher than the adsorption under the non-degassed condition. These results indicate that the modified hydrophobic zeolites with Si/Al ratios of 100 and 750 are suitable as ethylene scavengers at ambient conditions. [ABSTRACT FROM AUTHOR]

Single-layer blue phosphorus (SLBP) has displayed charming photoelectric performances, but its property in hydrogen storage is not outstanding due to the weak interactions. To expand the application of SLBP in hydrogen storage, we attempt to screen SLBP-based materials with stable structures and strong polarity using density functional theory by doping lightweight elements and grafting alkali metal atoms. The simulation results indicate that the lightweight elements (B, C, N, O and F) doped SLBP systems have more stable structures due to the strong orbital interaction than pure SLBP, and exhibit electron deficient characteristics. Compared to the pure SLBP, the H 2 adsorption energies of the doped systems improve and range from 0.05 to 0.09 eV, but it still cannot meet the requirements of ideal hydrogen storage. Therefore, the lightweight element doped SLBP systems are further grafted by Li atom. Under the synergistic effect of doping lightweight elements and grafting Li atoms, H 2 molecules are strongly polarized, and the corresponding adsorption energies of H 2 reach to 0.16, 0.26, 0.28, 0.30, and 0.10 eV, respectively. It is worth emphasizing in the C-doped SLBP system that the hydrogen storage capacity of reaches 5.53 wt% for each Li atom adsorbs one hydrogen molecule and the corresponding adsorption energy is 0.23 eV/H 2 when the ratio of C to P atoms increases to 6:26. For each Li atom adsorbs two hydrogen molecules in the same hydrogen storage system, the hydrogen storage capacity reaches 10.48 wt% with 0.18 eV/H 2 adsorption energy. We hope these results can provide theoretical basis and scientific guidance for searching for SLBP-based materials with excellent hydrogen storage performances at ambient temperature. [ABSTRACT FROM AUTHOR]

The carbon dioxide reduction reaction (CO2RR) is one of the most promising solutions for realizing carbon neutralization via converting the emitted CO2 into value‐added chemicals. The CC coupling step for CO dimerization is the rate‐determining step for C2 pathways, which have not been thoroughly investigated. Herein, the direct cation stabilization effects on CO dimerization for *OCCO formation on the representative Cu(100) and Pt(100) surfaces are investigated. Density functional theory calculations show that the presence of alkali metal ions plays a vital role in promoting the coupling of *CO monomers on both metal surfaces, where Cu shows a stronger stabilization effect. More importantly, a strong linear correlation (R2 ≈ 0.9) between the dimer stabilization energy and the reaction energy is revealed for the first time, which is a promising indicator for the selectivity of C2 pathways. Further investigations on electronic structures reveal that the promoting effect on *OCCO formation is strongly related to the negative charges of the molecules, in which the negative charge accumulation is favored by the directional electron transfer due to the chemisorption of *OCCO on Cu(100) surface. This work offers insights into the understanding of CC coupling reactions for CO2RR mechanisms. [ABSTRACT FROM AUTHOR]

Co-thermal chemical conversion of coal and biomass is one of the important ways to realize efficient and clean utilization of coal. In this study, a typical Ningdong coal-Yangchangwan bituminous coal and cow manure were used to study the synergistic effect of intrinsic alkali, alkaline earth metals (AAEM) and organic matter on the co-gasification of coal and biomass by thermogravimetry analyzer (TG). The results showed that AAEM had obvious synergistic promotion effect on the gasification of a bituminous coal-cow manure mixture in the isothermal gasification (1000 ℃), whereas the organic matter will show the opposite effect on the process. To further investigate the effect of organic matter on the gasification process, the influence of organic matter on non-isothermal (25-1000 ℃) gasification reaction was investigated with heating rate of 10 ℃ /min, the kinetic parameters of the gasification reaction were obtained by Coats-Redfern method. The increase of biomass mass fraction in the sample facilitates the migration of alkali metals from the material to the solid phase. The possible mechanism of the synergistic effect of intrinsic AAEM/organic matter on the co-gasification process was proposed. [ABSTRACT FROM AUTHOR]

Acidic H2O2 synthesis through electrocatalytic 2e− oxygen reduction presents a sustainable alternative to the energy‐intensive anthraquinone oxidation technology. Nevertheless, acidic H2O2 electrosynthesis suffers from low H2O2 Faradaic efficiencies primarily due to the competing reactions of 4e− oxygen reduction to H2O and hydrogen evolution in environments with high H+ concentrations. Here, we demonstrate the significant effect of alkali metal cations, acting as competing ions with H+, in promoting acidic H2O2 electrosynthesis at industrial‐level currents, resulting in an effective current densities of 50–421 mA cm−2 with 84–100 % Faradaic efficiency and a production rate of 856–7842 μmol cm−2 h−1 that far exceeds the performance observed in pure acidic electrolytes or low‐current electrolysis. Finite‐element simulations indicate that high interfacial pH near the electrode surface formed at high currents is crucial for activating the promotional effect of K+. In situ attenuated total reflection Fourier transform infrared spectroscopy and ab initio molecular dynamics simulations reveal the central role of alkali metal cations in stabilizing the key *OOH intermediate to suppress 4e− oxygen reduction through interacting with coordinated H2O. [ABSTRACT FROM AUTHOR]

Due to its negligible capacity with respect to sodium intercalation, graphite is not suited as anode material for sodium ion batteries. Hard carbon materials, on the other hand, provide reasonably high capacities at low insertion potential, making them a promising anode materials for sodium (and potassium) ion batteries. The particular nanostructure of these functionalized carbon‐based materials has been found to be crucially linked to the material performance. However, there is still a lack of understanding with respect to the functional role of structural units, such as defects, for intercalation and storage. To overcome these problems, the intercalation of Li, Na, and K in graphitic model structures with distinct defect configurations has been investigated by density functional theory. The calculations confirm that defects are able to stabilize intercalation of larger alkali metal contents. At the same time, it is shown that a combination of phonon and band structure calculations are able to explain characteristic Raman features typically observed for alkali metal intercalation in hard carbon, furthermore allowing for the quantification of the alkali metal intercalation inbetween the layers of hard carbon anodes. [ABSTRACT FROM AUTHOR]

Using incoherent multiple Andreev reflection effect spectroscopy, we have studied the multiple-gap superconducting state of underdoped and overdoped Na(Fe, Co)As single crystals. We directly determined the magnitudes of the microscopic superconducting order parameters, their temperature dependences, and characteristic ratios . The obtained large data statistics unambiguously proves a significant decrease in the degree of the large superconducting gap possible anisotropy in the overdoped compositions away from the antiferromagnetic and nematic regions of the doping phase diagram. [ABSTRACT FROM AUTHOR]

[Display omitted] • Steam gasification of a genetically modified (GMO) rice straw is investigated. • GMO rice straw exhibits superior gasification performance compared to regular one. • Co-gasification of GMO rice straw with Giant Miscanthus is investigated. • Seaweed biochar addition can greatly enhance co-gasification with reduced tar. • Promoting synergistic effect by low-cost catalyst for co-gasification is clarified. Future sustainability visions include clean, renewable energy from hydrogen, which can be produced, among other ways, by biomass steam gasification. This study explores strategies addressing the limitations in steam co-gasification of herbaceous biomass, using Monster-TUAT1 rice straw, a genetically modified rice plant with a taller and bigger stalk developed by Tokyo University of Agriculture and Technology (TUAT), and Giant Miscanthus, a promising energy crop, as the feedstock. Firstly, compared with the typical rice straw, the Monster TUAT1 demonstrated superior steam gasification performance with a 1.75 times higher hydrogen gas yield and 27.0 % less tar generation. With a focus on overcoming the challenges posed by high silica content in the Monster TUAT1, co-gasification of it with an energy crop of Giant Miscanthus was performed. However, even under the optimum operation condition (750 °C, steam flowrate: 0.15 g/min), the hydrogen gas yield was only 29.3 mmol/g-C with a tar yield of 27.6 %wt. and a carbon conversion efficiency of 45.9 %, which is deemed unsatisfactory for hydrogen production. Thus, strategies for enhancement were proposed, including the incorporation seaweed biochar with high alkali and alkaline earth species, calcined scallop shell powder, and alkali metal salt into the gasifier. Consequently, the introduction of 10 %wt. of calcined scallop shell resulted in an increase in H 2 yield to 37.0 mmol/g-C and 24.3 % CO 2 reduction. The addition of alkali metal salt led to 43.9 % increase of H 2 product with a 15 %wt. tar yield. The most significant improvement occurred with the introduction of seaweed biochar at 50 %wt., increasing of the hydrogen gas yield to 62.0 mmol/g-C with 86 % of carbon conversion efficiency and tar reduction to 5.5 %. These findings demonstrate the viability of utilizing herbaceous biomass such as rice straw in conjunction with the strategic solutions of co-gasification to overcome constraints in improving hydrogen production. [ABSTRACT FROM AUTHOR]

Metal halide perovskites are crystalline materials with a sharp increase in popularity and rapidly becoming a major contender for optoelectronic device applications. In this work, we provide the optoelectronic features of a possible novel candidate, ZSnCl3 (Z = Na/K) Sn‐based on a detailed numerical simulation. The output of the current computations is compared to the results that are currently available, and a respectable agreement is noted. The studied compounds were cubic in nature and structurally stabe. The mechanical properties reflect the mechanical stability and ductility of the proposed materials. The Sn‐based single perovskite compounds proposed in this study are mechanically stable and ductile. The narrow direct band gap for NaSnCl3 and KSnCl3 are 1.36 eV and 1.47 eV, respectively, using the HSE06 hybrid function with the Boltztrp2 integrated in Quantum ESPRESSO (QE) software. The effective use of these compounds in perovskite solar cells and other optoelectronic applications was confirmed by optical absorption spectral measurements conducted in the photon energy range of 0–20 eV. [ABSTRACT FROM AUTHOR]

Summary: Plant yields heavily depend on proper macro‐ and micronutrient supply from the soil. In the leaf cells, nutrient ions fulfill specific roles in biochemical reactions, especially photosynthesis housed in the chloroplast. Here, a well‐balanced ion homeostasis is maintained by a number of ion transport proteins embedded in the envelope and thylakoid membranes. Ten years ago, the first alkali metal transporters from the K+ EFFLUX ANTIPORTER family were discovered in the model plant Arabidopsis. Since then, our knowledge about the physiological importance of these carriers and their substrates has greatly expanded. New insights into the role of alkali ions in plastid gene expression and photoprotective mechanisms, both prerequisites for plant productivity in natural environments, were gained. The discovery of a Cl− channel in the thylakoid and several additional plastid alkali and alkali metal transport proteins have advanced the field further. Nevertheless, scientists still have long ways to go before a complete systemic understanding of the chloroplast's ion transportome will emerge. In this Tansley review, we highlight and discuss the achievements of the last decade. More importantly, we make recommendations on what areas to prioritize, so the field can reach the next milestones. One area, laid bare by our similarity‐based comparisons among phototrophs is our lack of knowledge what ion transporters are used by cyanobacteria to buffer photosynthesis fluctuations. See also the Commentary on this article by Kuang & Romand, 243: 506–508. [ABSTRACT FROM AUTHOR]

AbstractLiquid anode glow discharge-atomic emission spectrometry (LAGD-AES) was employed for the determination of alkali metals in brine and bottled drinking water samples. The results demonstrated that the optimum operating conditions are a discharge voltage of 630 V, a flow rate of 2.0 mL min−1, a supporting electrolyte solution of pH 1.7 HNO3, and a discharge gap of 0.5 mm. Alkaline-earth ions (e.g., Ca2+, Mg2+, and Sr2+) and Cr3+ interfere with the determination of alkali metals. The limits of detection (LODs) for the alkali metals, namely cesium (Cs), potassium (K), lithium (Li), sodium (Na), and rubidium (Rb) are 135, 6.21, 3.15, 7.57, and 31.1 µg L−1, respectively. The relative standard deviations are less than 5%, and the power consumption is approximately 13 W. The obtained results are in good agreement with the certified standard value for Li in the certified reference material and are consistent with the values obtained by ICP-OES and reference standards for K and Na in real samples. The concentrations of the Cs and Rb are considerably below the LAGD-AES detection limit. Consequently, they can be considered negligible. The results of the spiked water analysis are broadly consistent with the spiked values, with recoveries from 82% to 112%. LAGD-AES is an excellent technique for the sensitive determination of alkali metals due to its compact design, no requirement for inert gas, and low energy consumption. [ABSTRACT FROM AUTHOR]

Two inorganic–organic hybrid polyoxotantalates, H4[Na(H2O)5]2[CoII(en)3]2{[CoIII(en)]2(Ta6O19)2}·22H2O (1) and H2K2Na6 (H2O)24{[CoIII(en)]2(Ta6O19)2}·33H2O (2) have been constructed from {[CoIII(en)(Ta6O19)]2}10− ({Co2Ta12}) dimers. Compound 1 has a three-dimensional supramolecular framework with a pcu-type topology. Compound 2 possesses a three-dimensional structure composed of {Co2Ta12} dimers and alkali metal ions (Na+/K+) via coordination bonds. Polyoxotantalates 1 and 2 have been used as active materials for ITO/1/Ag and ITO/2/Ag RRAM devices. These devices exhibit stable non-volatile storage behavior and rewritable resistive switching with high ON/OFF ratios of 1.43 × 103 and 2.17 × 104 for 1-based and 2-based RRAM devices, respectively, and stable cyclic performance during 100-cycle stability tests. This discovery opens up new opportunities for the development of electrical bistability materials. [ABSTRACT FROM AUTHOR]