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1.
Materials (Basel) ; 14(15)2021 Aug 03.
Article in English | MEDLINE | ID: mdl-34361525

ABSTRACT

The maximally disordered (MD) phases with the general formula Y5-xPrxSb3-yMy (M = Sn, Pb) are formed with partial substitution of Y by Pr and Sb by Sn or Pb in the binary Y5Sb3 compound. During the electrochemical lithiation and sodiation, the formation of Y5-xPrxSb3-yMyLiz and Y5-xPrxSb3-yMyNaz maximally disordered-high entropy intermetallic phases (MD-HEIP), as the result of insertion of Li/Na into octahedral voids, were observed. Carbon nanotubes (CNT) are an effective additive to improve the cycle stability of the Y5-xPrxSb3-yMy (M = Sn, Pb) anodes for lithium-ion (LIBs) and sodium-ion batteries (SIBs). Modification of Y5-xPrxSb3-ySny alloys by carbon nanotubes allowed us to significantly increase the discharge capacity of both types of batteries, which reaches 280 mAh · g-1 (for LIBs) and 160 mAh · g-1 (for SIBs), respectively. For Y5-xPrxSb3-yPby alloys in which antimony is replaced by lead, these capacities are slightly smaller and are 270 mAh · g-1 (for LIBs) and 155 mAh · g-1 (for SIBs), respectively. Results show that structure disordering and CNT additives could increase the electrode capacities up to 30% for LIBs and up to 25% for SIBs.

2.
Materials (Basel) ; 14(12)2021 Jun 08.
Article in English | MEDLINE | ID: mdl-34201409

ABSTRACT

The bromination of multi-walled carbon nanotubes (MWCNT) was performed with vapor bromine in a closed vessel, and they were subjected to intensive stirring with a magnetic stirrer for up to 14 days. The efficiency of bromination was compared depending upon duration. The structure and surface of the crude and purified products were characterized by detailed physicochemical analyses, such as SEM/EDS, TEM, XRD, TGA, Raman, and XPS spectroscopies. The studies confirmed the presence of bromine covalently bound with nanotubes as well as the formation of inclusion MWCNT-Br2 complexes. It was confirmed that Br2 molecules are absorbed on the surface of nanotubes (forming the CNT-Br2 complex), while they can dissociate close to dangling bonds at CNT defect sites with the formation of covalent C-Br bonds. Thus, any covalent attachment of bromine to the graphitic surface achieved around room temperature is likely related to the defects in the MWCNTs. The best results, i.e., the highest amount of attached Br2, were obtained for brominated nanotubes brominated for 10 days, with the content of covalently bound bromine being 0.68 at% (by XPS).

3.
Acta Crystallogr C Struct Chem ; 77(Pt 5): 227-234, 2021 May 01.
Article in English | MEDLINE | ID: mdl-33949338

ABSTRACT

The multicomponent alumosilicide Li12Mg3Si3Al (cubic, space group I-43d, cI76) belongs to the structural family based on the Cu15Si4 type. The Li atoms are ordered and occupy the site with symmetry 1 and the Mg atoms occupy the site with -4.. symmetry. The Si/Al statistical mixture occupies the site with .3. symmetry. The coordination polyhedra around the Li atoms are 13-vertex distorted pseudo-Frank-Kasper polyhedra. The environments of the Mg and Si/Al atoms are icosahedral. The hydrogen storage characteristics of Li12Mg3Si3Al were investigated. The reversible hydrogen storage capacity of the title compound is excellent and the gravimetric storage capacity of this new material, corresponding to 9.1 wt% H2, is higher compared to Li12Mg3Si4 (8.8 wt%). The enthalpy of hydrogen desorption is 86 kJ mol-1 and is lower compared to known lithium-based hydrides.

4.
Acta Crystallogr C Struct Chem ; 74(Pt 3): 360-365, 2018 03 01.
Article in English | MEDLINE | ID: mdl-29504566

ABSTRACT

Magnesium alloys are the basis for the creation of light and ultra-light alloys. They have attracted attention as potential materials for the accumulation and storage of hydrogen, as well as electrode materials in metal-hydride and magnesium-ion batteries. The search for new metal hydrides has involved magnesium alloys with rare-earth transition metals and doped by p- or s-elements. The synthesis and characterization of a new quaternary carbide, namely dimagnesium lithium aluminium carbide, Mg1.52Li0.24Al0.24C0.86, belonging to the family of hexagonal close-packed (hcp) structures, are reported. The title compound crystallizes with hexagonal symmetry (space group P-6m2), where two sites with -6m2 symmetry and one site with 3m. symmetry are occupied by an Mg/Li statistical mixture (in Wyckoff position 1a), an Mg/Al statistical mixture (in position 1d) and C atoms (2i). The cuboctahedral coordination is typical for Mg/Li and Mg/Al, and the C atom is enclosed in an octahedron. Electronic structure calculations were used for elucidation of the ability of lithium or aluminium to substitute magnesium, and evaluation of the nature of the bonding between atoms. The presence of carbon in the carbide phase improves the corrosion resistance of the Mg1.52Li0.24Al0.24C0.86 alloy compared to the ternary Mg1.52Li0.24Al0.24 alloy and Mg.

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