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1.
Phys Chem Chem Phys ; 24(27): 16746-16754, 2022 Jul 13.
Artigo em Inglês | MEDLINE | ID: mdl-35771039

RESUMO

Li-O2 batteries attract great attention due to their promising theoretical energy density. One of the main obstacles on the way to achieving high energy density and good cyclability is positive electrode passivation by the Li2O2 discharge product as well as the presence of parasitic reactions that degrade electrode and electrolyte materials. To overcome these issues new electrolytes are being extensively searched for to ensure the bulk-mediated mechanism of the oxygen reduction reaction and inhibition of parasitic reactions. Different additives to organic solvents can significantly change the properties of electrolytes. This work is devoted to the effect of ionic liquids (ILs), which are proposed as an additive to the solvent due to their excellent solvation properties, high stability, low volatility and flammability. Using molecular dynamics simulations we investigate mixtures of the Pyr14TFSI ionic liquid and dimethoxyethane (DME) with different volume fractions of the IL. Our calculations show that the presence of the ionic liquid in the electrolyte stabilises solvation shells around the ions, both involved in the oxygen reduction and parasitic reactions, slowing down the kinetics of Li+ and O2- association. This makes the usage of such mixtures promising for electrolyte design for Li-O2 batteries.

2.
Environ Geochem Health ; 42(1): 159-171, 2020 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-31111334

RESUMO

This study was aimed at assessment of strontium and calcium mobility in soils and their accumulation with plants in the areas endemic for Kashin-Beck disease in Eastern Transbaikalia. The strontium and calcium mobility levels were determined using the method of sequential chemical extraction for 7 samples of meadow soils collected from the endemic region and 7 soil samples taken from conditionally control sites. To measure the Ca and Sr levels in the soil and plant samples, XRF analysis and AAS were used. The increased strontium level in the meadow soils of the endemic areas is accompanied by the element's higher mobility. The highest strontium yield was observed in the course of soil extraction using 1 M ammonium acetate, while the soils taken from the control sites gave lower amounts of the trace element. Furthermore, there is a positive correlation between the amount of the strontium extracted and its content in plants (r = + 0.86 - 0.98). At the sequential chemical extraction of calcium from the soils using the above method, the calcium yield was maximal in the ammonium acetate fraction (background sites) and in ammonium acetate and 6 M HCl fractions (endemic areas). The correlation between the amount of the calcium extracted in 1 M ammonium acetate and the macroelement levels found in plants was + 0.968. In addition, a peculiarly high accumulation of strontium in various willow species as compared to other meadow plants was revealed for the first time ever. Thus, the work introduces new data into the trace element biogeochemistry and environmental monitoring.


Assuntos
Cálcio/análise , Doença de Kashin-Bek , Plantas/metabolismo , Solo/química , Estrôncio/análise , Bioacumulação , Cálcio/farmacocinética , Monitoramento Ambiental/métodos , Pradaria , Humanos , Plantas/química , Sibéria , Poluentes do Solo/análise , Poluentes do Solo/farmacocinética , Estrôncio/farmacocinética
3.
Environ Monit Assess ; 189(12): 641, 2017 Nov 21.
Artigo em Inglês | MEDLINE | ID: mdl-29159470

RESUMO

The biogeochemical and ecological assessment of the industrial city territory including urban soils and trees was carried out. Chemical (macroelement and microelement) composition of the city soils, morphological and biochemical properties of the linden leaves, possible impact of de-icing salts on soil and tree state, the correlation between the content of trace elements, and the S-containing plant compounds (phytochelatins) were included in the assessment. It was found that concentrations of trace elements in the soils near road with intensive traffic are changed from the soils, located at a distance of 40-50 m from the road. They have higher concentrations of As, Fe, Mn, Se, and Sr and lower concentration of Zn. The linden leaves from the roadside were characterized by the increase in As, Cu, Fe, Zn, and Cr and sharp decrease in the Mn and Sr concentrations. The analysis of soil water extracts showed a slight decrease of pH and low content of Ca, Mg, K, and Na for the distant sites. The phytochelatin test of linden leaves was weakly effective as well as asymmetry degree study of leaf lamina. The main differences were observed in the damage symptoms of leaves (chlorosis and necrosis) and the content of pigments (chlorophyll and carotenoids). The biochemical and ecological assessment of soils and trees showed relatively satisfactory ecological state of the investigated area in Moscow. The data obtained shows the weak local impact of the application of de-icing salts and automobile emissions.


Assuntos
Monitoramento Ambiental , Poluentes do Solo/análise , Cidades , Moscou , Folhas de Planta/química , Plantas , Solo/química , Oligoelementos/análise , Árvores/química
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