Related papers: Quantifying Li-content for compositional tailoring…
Due to the issues associated with rare-earth elements, there arises a strong need for magnets with properties between those of ferrites and rare-earth magnets that could substitute the latter in selected applications. Here, we produce a…
The spinel-structured lithium manganese oxide (LiMn$_2$O$_4$) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of…
Lead-free ba0.85ca0.15zr0.1ti0.9o3 (bczt) ceramic powders were synthesized using the sol-gel method. to achieve high-energy storage and large electrocaloric effect in bulk ceramics the ceramics thickness was reduced. dielectric,…
We present VLT-UVES Li abundances for 28 halo dwarf stars between [Fe/H]=-2.5 and -3.5, 10 of which have [Fe/H]<-3. Four different T_eff scales have been used. Direct Infrared Flux Method (IRFM) has been used on the basis of 2MASS infrared…
We resolve issues that have plagued reliable prediction of relative phase stability for solid-solutions and compounds. Due to its commercially important phase diagram, we showcase Al-Li system because historically density-functional theory…
As a part of a study on the variation in the 7Li/6Li ratio, high signal to noise, high resolution spectroscopy of Li I (6708 Angstroms) and K I (4044 Angstroms) were obtained toward zeta and o Per. The lithium isotope shift is approximately…
We have refined the estimate of the primordial level of $^7$Li abundance to an accuracy better than 10%, based on high-precision Li abundances for metal-poor halo stars, and a recent model of post-BBN (Big Bang Nucleosynthesis) chemical…
Results are reported for single crystal specimens of Hf$_2$Te$_2$P and compared to its structural analogue Zr$_2$Te$_2$P, which was recently proposed to be a potential reservoir for Dirac physics.[1] Both materials are produced using the…
Understanding and controlling coupled ionic-polaronic dynamics is crucial for optimizing electrochemical performance in battery materials. However, studying such coupled dynamics remains challenging due to the intricate interplay between…
Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. Numerous concerns on the potential safety hazards of the Li metal have been brought up before its massive application in commercialized…
Data collected using the galvanostatic intermittent titration technique (GITT) and application of the Sand equation is a ubiquitous method for inferring the solid-state diffusivity in lithium-ion battery active materials. However, the…
We apply a general first-principles approach to derive the phase diagram of metallic Lithium at ambient pressure between 0 and 350 K, including identification of candidate phases. We use ab initio random structure searching (AIRSS) to…
A comprehensive understanding of interactions between cathode, electrolyte, anode, and packaging during battery operation is crucial for advancing performances but remains overlooked due to the lack of characterisation technics capable of…
We develop a continuum phase-field model for the simulation of diffusion limited solid-solid phase transformations during lithium insertion in LiFePO4-nano-particles. The solid-solid phase boundary between the LiFePO4 (LFP)-phase and the…
Using a combination of experimental techniques and density functional theory (DFT) calculations, the influence of lithium insertion on the electronic and electrochemical properties of fluourine-doped SnO$_2$ (FTO) is assessed. For this…
We perform phase-field simulations of the electrodeposition process that forms dendrites within metal-anode batteries including anisotropic representation. We describe the evolution of a phase field, the lithium-ion concentration, and an…
The grain boundary segregation of the Co-free pristine spinel LiNi0.5Mn1.5O4 cathode material has been studied by transmission electron microscopy and atom probe tomography. The segregation of Mn and the depletion of Ni at grain boundaries…
In this study, we address the challenge of electrolyte degradation in all-solid-state humidified Li-$O_2$ batteries, which offer high theoretical energy density and potential cost advantages over conventional lithium-ion batteries.…
High-performance anodes for rechargeable Li-ion battery are produced by nanostructuring of the transition metal oxides on a conductive support. Here, we demonstrate a hybrid material of MnO2 directly grown onto fabrics of carbon nanotube…
We consider electronic correlation effects and their impact on magnetic properties of tetragonally distorted chemically ordered FeCo alloys (L1$_0$ structure) being a promising candidate for rare-earth-free permanent magnets. We employ a…