Redistribution of Mg and Ni cations in crystal lattice of conical nanotube with chrysotile structure

Abstract

Recently, nanotubular hydrosilicates have attracted attention due to numerous possible applications and intriguing formation mechanism. In this study we estimate energy effect of cylindrical and conical (Mg 0.5 ,Ni 0.5 ) 3 Si 2 O 5 (OH) 4 nanotube formation depending on their size parameters, cone angle, and Mg-Ni redistribution function. The calculations show that, as we expected, conical morphology is less preferable from an energy perspective than the cylindrical one, and the energy difference between them increases with the cone angle. Nevertheless, Mg and Ni cations redistribution along side length decreases strain energy of conical nanotube. This effect reaches its maximum of ∼ −75 kJ/mol at a cone angle of 5• .

Cation Redistribution along the Spiral of Ni‐Doped Phyllosilicate Nanoscrolls: Energy Modelling and STEM/EDS Study

“…In the previous studies,, we have developed an energy model of scrolling of a 1 : 1 phyllosilicate flat layer with chrysotile structure, which is based on the models proposed elsewhere ,,. Here we would like to pay attention to some chemical composition features that could exist in case several cations constitute the phyllosilicate octahedral sheet.…”

“…Krasilin et al. have showed, that conical scrolls content has a maximum provided that both Mg and Ni are present in (Mg 1– x Ni x ) 3 Si 2 O 5 (OH) 4 nanoscrolls with chrysotile structure.…”

“…[38] The same situation was observed in case of Fe-containing precursor. [28] Krasilin et al have showed [39,40] that conical scrolls content has a maximum provided that both Mg and Ni are present in (Mg 1-layer. Krasilin et al have demonstrated [41] that Mg/Ni ratio changes in correlation with the number of layers (outer diameter) of the nanoscroll.…”

Formation of rhabdophane-structured lanthanum orthophosphate nanoparticles in an impinging-jets microreactor and rheological properties of sols based on them

“…The prospects of using the thus-synthesized nanoparticles for obtaining nanopowders or compact materials are largely determined by their morphological characteristics, chemical, phase and dispersion composition, as well as by the rheological properties of sols based on them. Recently, interest has emerged in the development and investigation of the different quasi-one-dimensional structures (nanorods, nanowires, nanofibers, nanotubes) is due to their remarkable functional properties [40][41][42][43][44].…”

Electrocatalytic properties of γ-NiOOH nanolayers, synthesized by successive ionic layer deposition, during the oxygen evolution reaction upon water splitting in the alkaline medium

“…The methods had been previously tested by producing a wide range of other metal-oxygen compounds. Such methods include, for example, sol-gel [5], hydrothermal [6], coprecipitation [7], electrochemical [8] etc.…”