RESUMEN
The purpose of this work is to study the kinetics of the heat flow heating the substrate, which is generated by a two-layer sandwich magnetron target when sputtered in argon. Its novelty resides in the application of the COMSOL Multiphysics to study the kinetics of thermal processes during sputtering of a target of the new type. The analysis was performed for a sandwich target with internal copper and external titanium plates when the discharge power varied in the range of 400-1200 W. The heating of the external target plate is described by a two-dimensional homogeneous Fourier equation. The solution to the equation reveals how the kinetics of the external plate's surface temperature distribution depends on the discharge power. To study the heat flow heating the substrate, the external plate is presented in the form of an additive set of small-sized surface heat sources. Previously unknown features of the thermal process are established. It is shown that numerical modeling adequately describes the experimental results.
RESUMEN
This work critically reviews the evolution of reactive sputtering modeling that has taken place over the last 50 years. The review summarizes the main features of the deposition of simple metal compound films (nitrides, oxides, oxynitrides, carbides, etc.) that were experimentally found by different researchers. The above features include significant non-linearity and hysteresis. At the beginning of the 1970s, specific chemisorption models were proposed. These models were based on the assumption that a compound film was formed on the target due to chemisorption. Their development led to the appearance of the general isothermal chemisorption model, which was supplemented by the processes on the surfaces of the vacuum chamber wall and the substrate. The model has undergone numerous transformations for application to various problems of reactive sputtering. At the next step in the development of modeling, the reactive sputtering deposition (RSD) model was proposed, which was based on the implantation of reactive gas molecules into the target, bulk chemical reaction, chemisorption, and the "knock-on effect". Another direction of the modeling development is represented by the nonisothermal physicochemical model, in which the Langmuir isotherm and the law of mass action are used. Various modifications of this model allowed describing reactive sputtering processes in more complex cases when the sputtering unit included a hot target or a sandwich one.
RESUMEN
LiCoPO4 (LCP) is a promising high voltage cathode material but suffers from low conductivity and poor electrochemical properties. These properties can be improved by coating with a conductive carbon layer. Ongoing research is focused on the protective layer with good adhesion and inhibition of electrolyte decomposition reactions. In the present work, we suggest a new robust one-pot procedure, featuring the introduction of UiO-66 metal-organic framework (MOF) nanoparticles during LCP synthesis to create a metal-carbon layer upon annealing. The LiCoPO4/C@UiO-66 was synthesized via the microwave-assisted solvothermal route, and 147 mA h g-1 discharge capacity was obtained in the first cycle. The MOF acts as a source of both carbon and metal atoms, which improves conductivity. Using operando X-ray absorption spectroscopy upon cycling, we identify two Co-related phases in the sample and exclude the olivine structure degradation as an explanation for a long-term capacity fade.
RESUMEN
Mixed-anion materials for Li-ion batteries have been attracting attention in view of their tunable electrochemical properties. Herein, we compare two isostructural (Fm3Ì m) model intercalation materials Li2VO3 and Li2VO2F with O(2-) and mixed O(2-)/F(-) anions, respectively. Synchrotron X-ray diffraction and pair distribution function data confirm large structural similarity over long-range and at the atomic scale for these materials. However, they show distinct electrochemical properties and kinetic behaviour arising from the different anion environments and the consequent difference in cationic electrostatic repulsion. In comparison with Li2VO3 with an active V(4+/5+) redox reaction, the material Li2VO2F with oxofluoro anions and the partial activity of V(3+/5+) redox reaction favor higher theoretical capacity (460 mA h g(-1)vs. 230 mA h g(-1)), higher voltage (2.5 V vs. 2.2 V), lower polarization (0.1 V vs. 0.3 V) and faster Li(+) chemical diffusion (â¼10(-9) cm(2) s(-1)vs. â¼10(-11) cm(2) s(-1)). This work not only provides insights into the understanding of anion chemistry, but also suggests the rational design of new mixed-anion battery materials.
RESUMEN
New high-capacity intercalation cathodes of Li2V x Cr1-x O2F with a stable disordered rock salt host framework allow a high operating voltage up to 3.5 V, good rate performance (960 Wh kg-1 at ≈1 C), and cycling stability.