The applications of multilayered graphenes (MLGs), nanocomposites "MLG-decontaminant" and polydicarbonfluoride intercalation compounds for the localization and deactivation of toxic spills and gaseous emissions under technogenic accidents are investigated in this paper. The intercalation compounds contain oxidizers as intercalants, and MLGs are formed destructively by thermolysis of polydicarbonfluoride intercalation compounds. The sorptive capacity of MLGs (about 240 ml of liquid phase per 1 g of MLG) is much higher than in well-known expanded graphites (EGs) obtained from graphite oxide or graphite acid salts. Our investigation revealed the possibility of the production of the "MLG-decontaminant" nanocomposites with the neutralizator content >95% due to the extremely low (down to 0.4 g/l) apparent density of MLG and its high specific surface (about 370 m/g). The use of these nanocomposites for the acid-base or redox neutralization of contaminants does not result in the overheating, sputtering or evaporation of liquid phases, because their neutralization products sorb into MLGs. It prevents the soil mineralization by liquid or solid deactivated spills. We revealed that polydicarbonfluoride intercalation compounds with oxidizers (ClF, HNO, NO) can be efficiently used for the deactivation of spills and gaseous emissions of nitrogen-containing base compounds.
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http://dx.doi.org/10.1007/s11356-016-8019-9 | DOI Listing |
ACS Mater Au
January 2025
Materials Department, University of California Santa Barbara, California 93106, United States.
Of the few weberite-type Na-ion cathodes explored to date, NaFeF exhibits the best performance, with capacities up to 184 mAh/g and energy densities up to 550 Wh/kg reported for this material. However, the development of robust structure-property relationships for this material is complicated by its tendency to form as a mixture of metastable polymorphs, and transform to a lower-energy Na FeF perovskite compound during electrochemical cycling. Our first-principles-guided exploration of Fe-based weberite solid solutions with redox-inactive Mg and Al predicts an enhanced thermodynamic stability of NaMg Fe F as the Mg content is increased, and the = 0.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Helmholtz Institute Ulm (HIU), Helmholtzstraße 11, 89081 Ulm, Germany.
Potassium-ion batteries (KIBs) have attracted significant attention in recent years as a result of the urgent necessity to develop sustainable, low-cost batteries based on non-critical raw materials that are competitive with market-available lithium-ion batteries. KIBs are excellent candidates, as they offer the possibility of providing high power and energy densities due to their faster K diffusion and very close reduction potential compared with Li/Li. However, research on KIBs is still in its infancy, and hence, more investigation is required both at the materials level and at the device level.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Institute of Hydrogen Technology, Helmholtz-Zentrum Hereon, Geesthacht, Germany.
Coherent phase transformations in interstitial solid solutions or intercalation compounds with a miscibility gap are of practical relevance for energy storage materials and specifically for metal hydride or lithium-ion compound nanoparticles. Different conclusions on the size-dependence of the transformation conditions are reached by modeling or theory focusing on the impact of either one (internal, solid-state-) critical-point wetting of the nanoparticle surface or coherency constraints from solute-saturated surface layers. We report a hybrid numerical approach, combining atomistic grand canonical Monte Carlo simulation with a continuum mechanics analysis of coherency stress and modeling simultaneously wetting and mechanical constraints.
View Article and Find Full Text PDFSci Technol Adv Mater
November 2024
Faculty of Materials Science and Engineering, Kyoto Institute of Technology, Kyoto, Japan.
We introduce our proprietary Materials Informatics (MI) technologies and our chemistry-oriented methodology for exploring new inorganic functional materials. Using machine learning on crystal structure databases, we developed 'Element Reactivity Maps' that displays the presence or the predicted formation probability of compounds for combinations of 80 × 80 × 80 elements. By analysing atomic coordinates with Delaunay tetrahedral decomposition, we established the concept of Delaunay Chemistry.
View Article and Find Full Text PDFEnviron Sci Technol
January 2025
State Key Laboratory of Biochemical Engineering, Institute of Process Engineering, University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190, PR China.
The efficient removal of organic contaminants from high-salinity wastewater is crucial for resource recovery and achieving zero discharge. Nanofiltration (NF) membranes are effective in separating organic compounds and monovalent salts, but they typically exhibit an excessive rejection of divalent salts. Modifying the charge characteristics of NF membranes can improve salt permeation; however, the role of charge spatial distribution in governing salt transport behavior is not fully understood.
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