We reported the theoretical understandings of the detailed structural and thermodynamic mechanism of the actual lithiation process of silicon nanoparticle systems based on atomistic simulation approaches. We found that the rearrangement of the Si bon...
The limiting aspect in commercializing Si-based anodes is the fractures they undergo during lithiation and de-lithiation. Experimental and theoretical studies have shown that this fracture is minimized when the particle size is reduced below 100 nm;...
This work aims to review and understand the behavior of the electrochemical lithiation onset of amorphous silicon (a-Si) films as electrochemically active material for new generation lithium-ion batteries. The article includes (i) a review on the lit...
The user demands lithium-ion batteries in mobile applications, and electric vehicles request steady improvement in terms of capacity and cycle life. This study shows one way to compensate for capacity losses due to SEI formation during the first cycl...
In order to meet the sophisticated demands for large-scale applications such as electro-mobility, next generation energy storage technologies require advanced electrode active materials with enhanced gravimetric and volumetric capacities to achieve i...
Pyrrolopyrimidines are important scaffolds for the preparation of bioactive molecules. Therefore, developing efficient and flexible ways for selective functionalization of the pyrrolopyrimidine skeleton is of interest. We have investigated lithiation...
Carbon-coated silicon nanotube (SiNT@CNT) anodes show tremendous potential in high-performance lithium ion batteries (LIBs). Unfortunately, to realize the commercial application, it is still required to further optimize the structural design for bett...
Various 2-substituted indolizines can be directly and selectively lithiated in the 5 position and subsequent reactions with different electrophiles lead to some novel classes of indolizines. In particular, previously unknown 5-formyl- and 5-iodoindol...
The lithiation of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl diisopropylcarbamate (1) is achieved freely by sec-butyllithium in diethylether with high lk-diastereoselectivity: the bicyclic chelate complexes 3a and 3b are reacted with electrophiles to f...
The capacity fade during the cycling of lithium batteries is a key factor limiting further progress in the improvement of electric vehicles, wearable electronic devices, alternative energy sources, etc. One of the main reasons for capacity loss is ba...
Carbon nanotubes (CNT) are used as anodes for flexible Li-ion micro-batteries. However, one of the major challenges in the growth of flexible micro-batteries with CNT as the anode is their immense capacity loss and a very low initial coulombic effici...
The description of the design, manufacturing technology, and test results of thin-film solid-state lithium-ion batteries with a nanocomposite negative electrode Si@O@Al is given herein. This electrochemical system features the hike on the charging cu...
Pre-lithiation using Li–Si alloy-type additives is a promising technical approach to address the drawbacks of Si-based anodes, such as a low initial Coulombic efficiency (ICE) and inevitable capacity decay during cycling. However, its commercia...
Using only parts of the maximum capacity of silicon microparticles in a lithium-ion battery (LIB) anode represents a promising material concept. The high capacity, better rate capability compared with graphite and accessibility on an industrial scale...
A straightforward and transition metal-free one-pot protocol to synthesize halobenzo[b]furans has been developed employing simple and easily available starting materials such as O-aryl carbamates and alkynylsulfones. The fine-tuning of the different...
Stress-affected two-phase lithiation reactions in spherical elasto-viscoplastic Si particles for Li-ion batteries are studied here to determine the effects of a hyperelastic polymer coating on particle stresses, reaction front velocity, and degree of...
As a prominent next-generation anode material for high-capacity applications, silicon stands out due to its potential. Crystalline silicon, which offers a higher initial capacity compared to its amorphous counterpart, presents challenges in practical...
Interest in the Mn+1AXn phases (M = early transition metal; A = group 13–16 elements, and X = C or N) is driven by their ceramic and metallic properties, which make them attractive candidates for numerous applications. In the present study, we...
Although silicon-based anodes have been identified as a potential alternative to conventional graphite anodes, the huge volume change (approximately 300%) that occurs in silicon while cycling still impedes this system from practical applications. In...
In this work it is demonstrated that enantiomerically enriched N-alkyl 2-oxazolinylazetidines undergo exclusive α-lithiation, and that the resulting lithiated intermediate is chemically stable but configurationally labile under the given experi...
In this paper, we describe the lithiation of N-benzylpyrene-1-carboxamide with RLi-TMEDA. We found that the reaction outcome strongly depends on the electrophile used in the quenching step. The electrophile can be introduced at either the benzylic po...
Conventional lithium-ion batteries with a limited energy density are unable to assume the responsibility of energy-structure innovation. Lithium-selenium (Li-Se) batteries are considered to be the next generation energy storage devices since Se catho...
In this study, we analyze and compare the physical and electrochemical properties of an all solid-state cell utilizing LiBH4 as the electrolyte and aluminum as the active anode material. The system was characterized by galvanostatic lithiation/delith...
The environmentally friendly closed cycle of the regeneration process of spent LiCoO2 was successfully developed and the following synthesis of triple-lithiated transition metal oxides was carried out. A hydrometallurgy recycling route with the usage...
In conventional lithium-ion batteries (LIBs), active lithium loss during solid electrolyte interphase (SEI) formation reduces coulombic efficiency and energy density. Cathode pre-lithiation can effectively compensate for this irreversible lithium con...
We investigate the mechanical degradation of patterned Si based on large deformation theory and mixed-mode failure. Mode I debonding at the center of Si is found to suddenly increase and lead to crack initiation during the early stages of lithiation....
Lithium manganese-based cathodes are widely used in rechargeable batteries due to their low cost, safety, and ecological stability. On the other hand, fast capacity fade occurs in LiMn2O4 mainly because of the induced manganese dissolution and format...
SnS nanomaterials have a high initial capacity of 1000 mAh g−1; however, this cannot be retained throughout electrochemical cycling. The present study provides insight into this capacity decay by examining the effect that Li intercalation has on SnS...
The localisation and quantitative analysis of lithium (Li) in battery materials, components, and full cells are scientifically highly relevant, yet challenging tasks. The methodical developments of MeV ion beam analysis (IBA) presented here open up n...
A one-pot lithiation–phosphonylation procedure was elaborated as a method to prepare heteroaromatic phosphonic acids. It relied on the direct lithiation of heteroaromatics followed by phosphonylation with diethyl chlorophosphite and then oxidat...
Due to its large electric capacity, silicon has become one of the most promising electrode materials for lithium ion batteries. However, silicon undergoes large volumetric expansion and material stiffness reduction during the charging process. This c...
Material failure is the main obstacle in fulfilling the potential of electrodes in lithium batteries. To date, different failure phenomena observed experimentally in various structures have become challenging to model in numerical simulations. Moreov...
We synthesized 4-bromo-3-formyl-N-phenyl-5-propylthiophene-2-carboxamide by using three successive direct lithiations and a bromination reaction starting from thiophene. All these lithiation reactions were carried out at −78 °C to RT over a period of...
High-energy synchrotron X-ray Compton scattering imaging was applied to a commercial 18650-type cell, which is a cylindrical lithium-ion battery in wide current use. By measuring the Compton scattering X-ray energy spectrum non-destructively, the lit...
The reaction of phenyllithium with E-cinnamaldehyde is extremely sensitive to the reaction conditions and surprising changes in the product distribution were observed upon changes in the solvent, concentrations, duration or temperature of the reactio...
The possibility of using Si-based anodes in lithium-ion batteries is actively investigated due to the increased lithium capacity of silicon. The paper reports the preparation of submicron silicon fibers on glassy carbon in the KI–KF–KCl&n...
Conversion-type electrode materials for lithium-ion batteries experience significant structural changes during the first discharge–charge cycle, where a single particle is taken apart into a number of nanoparticles. This structural evolution may affe...
A new amorphous compound with the initial atomic composition Al43Li43Y6Ni8 applied as electrode material for Li-ion batteries is investigated. Unlike other amorphous compounds so-far investigated as anode materials, it already contains Li as a base e...
Silicon (Si) has been considered to be one of the most promising anode materials for high energy density lithium−ion batteries (LIBs) due to its high theoretical capacity, low discharge platform, abundant raw materials and environmental friendl...
A simple procedure for the synthesis of 8-fluoro-3,4-dihydroisoquinoline is described below, based on a directed ortho-lithiation reaction. This key intermediate was then applied in various transformations. Fluorine–amine exchange afforded the...
3-Ethoxycarbonyl-1,4-benzodioxin-2-carboxylic acid, a novel 2,3-disubstituted benzodioxin, was prepared from readily available 1,4-benzodioxin-2-carboxylic acid by lithiation at C(3) and a reaction with the electrophile ethyl chloroformate. The analy...
The protocol of lithiation by means of lithium and a catalytic (5% molar) amount of DTBB (4,4’-di-tert-butylbiphenyl), applied to ω-chloro ortho ester 6 under Barbier-type conditions gives, after final acid-catalyzed methanolysis, the corresponding f...
The development of novel anode materials for high energy density is required. Alloying Si with other metals is a promising approach to utilize the high capacity of Si. In this work, we optimized the composition of a Si–Ti–Al ternary alloy to achieve...
The reaction of a diene nitroxide precursor with dichlorophenylphosphine in a McCormac procedure afforded 1,1,3,3-tetramethyl-5-phenyl-1,2,3,4,5,6-hexahydrophospholo[3,4-c]pyrrole-5-oxide-2-oxyl. Lithiation of the protected 3-iodo-pyrroline nitroxide...
Matteson homologation, a successive extension of chiral boronic esters, is perfectly suited for the synthesis of complex molecular structures containing several stereogenic centers. The “classical version” allows the introduction of vario...
Lithium-ion capacitors (LICs) are a novel and promising form of energy storage device that combines the electrode materials of lithium-ion batteries with supercapacitors. They have the potential to deliver high energy density, power density, and long...
In this study, we investigate the relationship between the progressive lowering of the silicon (Si) anode potential during lithiation and the accompanying crystallization reaction to enable in situ electrochemical detection in Si-based full cells. Si...
The development of nanoscale power sources with a long battery life is now required for novel nanoelectronic devices, such as wireless sensors, biomedical implants, and smart cards. Lithiated metal oxides (Li–Me–O) are widely used in lithium-ion batt...
The lateral metalation-electrophilic trapping reaction of alkyl-substituted pyrazines has always been challenging and poorly regioselective, with the corresponding derivatives often being isolated in moderate yield. In this contribution, we first rep...
In this contribution, the first amidinate and amidine derivatives of p-carborane are described. Double lithiation of p-carborane (1) with n-butyllithium followed by treatment with 1,3-diorganocarbodiimides, R–N=C=N–R (R = iPr, Cy (= cyclo...
of 6