Mechanochemical Synthesis of Carbonate- and Fluoride-Substituted Hydroxyapatite

2020 ◽  
Keyword(s):  
Mechanochemical Synthesis

Under Pressure: Mechanochemical Effects on Structure and Ion Conduction in the Sodium-Ion Solid Electrolyte Na3PS4

2020 ◽  
Author(s):  
Theodosios Famprikis ◽  
O. Ulas Kudu ◽  
James Dawson ◽  
Pieremanuele Canepa ◽  
François Fauth ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Mechanochemical Synthesis ◽  
Activation Volume ◽  
External Pressure ◽  
Sodium Ion ◽  
Variable Pressure ◽  
Ion Conductor ◽  
Ceramic Synthesis ◽  
Solid State Batteries ◽  
Fast Ion

<div> <p>Fast-ion conductors are critical to the development of solid-state batteries. The effects of mechanochemical synthesis that lead to increased ionic conductivity in an archetypical sodium-ion conductor Na<sub>3</sub>PS<sub>4</sub> are not fully understood. We present here a comprehensive analysis based on diffraction (Bragg, pair distribution function), spectroscopy (impedance, Raman, NMR, INS) and <i>ab-initio</i> simulations aimed at elucidating the synthesis-property relationships in Na<sub>3</sub>PS<sub>4</sub>. We consolidate previously reported interpretations about the local structure of ball-milled samples, underlining the sodium disorder and showing that a local tetragonal framework more accurately describes the structure than the originally proposed cubic one. Through variable-pressure impedance spectroscopy measurements, we report for the first time the activation volume for Na<sup>+</sup> migration in Na<sub>3</sub>PS<sub>4</sub>, which is ~30% higher for the ball-milled samples. Moreover, we show that the effect of ball-milling on increasing the ionic conductivity of Na<sub>3</sub>PS<sub>4</sub> to ~10<sup>-4</sup> S/cm can be reproduced by applying external pressure on a sample from conventional high temperature ceramic synthesis. We conclude that the key effects of mechanochemical synthesis on the properties of solid electrolytes can be analyzed and understood in terms of pressure, strain and activation volume.</p> </div>

Theoretical and Experimental Evaluation of the Effect of Fluorinated Substituent on the Topological Landscape and Thermodynamic Stability of Zeolitic Imidazolate Framework Polymorphs

2018 ◽  
Author(s):  
Mihails Arhangelskis ◽  
Athanassis Katsenis ◽  
Novendra Novendra ◽  
Zamirbek Akimbekov ◽  
Dayaker Gandrath ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Mechanochemical Synthesis ◽  
Thermodynamic Stability ◽  
Experimental Evaluation ◽  
Density Functional ◽  
Theoretical Calculations ◽  
Zeolitic Imidazolate Framework ◽  
Functional Theory ◽  
Calorimetric Measurements ◽  
And Calorimetry

By combining mechanochemical synthesis and calorimetry with theoretical calculations, we demonstrate that dispersion-corrected periodic density functional theory (DFT) can accurately survey the topological landscape and predict relative energies of polymorphs for a previously inaccessible fluorine-substituted zeolitic imidazolate framework (ZIF). Experimental screening confirmed two out of three theoretically anticipated polymorphs, and the calorimetric measurements provided an excellent match to theoretically calculated energetic difference between them.<br>

Fast Mechanochemical Synthesis of Nano-structured PMN at Low Temperature

2010 ◽  
Vol 25 (5) ◽  
pp. 541-545 ◽  
Author(s):  
Hao WU ◽  
Cheng CHEN ◽  
Dan-Yu JIANG ◽  
Qiang LI
Keyword(s):  
Low Temperature ◽  
Mechanochemical Synthesis

scholarly journals Mechanochemical synthesis of poly(trimethylene carbonate)s: an example of rate acceleration

2019 ◽  
Vol 15 ◽  
pp. 963-970 ◽  
Author(s):  
Sora Park ◽  
Jeung Gon Kim
Keyword(s):  
Ball Milling ◽  
Mechanochemical Synthesis ◽  
Polymeric Materials ◽  
Solvent Free ◽  
Energy Output ◽  
Polymerization Temperature ◽  
Mechanical Degradation ◽  
Trimethylene Carbonate ◽  
Rate Acceleration ◽  
Conventional Solution

Mechanochemical polymerization is a rapidly growing area and a number of polymeric materials can now be obtained through green mechanochemical synthesis. In addition to the general merits of mechanochemistry, such as being solvent-free and resulting in high conversions, we herein explore rate acceleration under ball-milling conditions while the conventional solution-state synthesis suffer from low reactivity. The solvent-free mechanochemical polymerization of trimethylene carbonate using the organocatalysts 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) are examined herein. The polymerizations under ball-milling conditions exhibited significant rate enhancements compared to polymerizations in solution. A number of milling parameters were evaluated for the ball-milling polymerization. Temperature increases due to ball collisions and exothermic energy output did not affect the polymerization rate significantly and the initial mixing speed was important for chain-length control. Liquid-assisted grinding was applied for the synthesis of high molecular weight polymers, but it failed to protect the polymer chain from mechanical degradation.

scholarly journals Mechanochemical synthesis of NaBH4 starting from NaH–MgB2 reactive hydride composite system

2013 ◽  
Vol 38 (5) ◽  
pp. 2363-2369 ◽  
Author(s):  
S. Garroni ◽  
C. Bonatto Minella ◽  
D. Pottmaier ◽  
C. Pistidda ◽  
C. Milanese ◽  
...  
Keyword(s):  
Mechanochemical Synthesis ◽  
Composite System

Mechanochemical synthesis and thermoelectric properties of TiFe2Sn Heusler alloy

2021 ◽  
Vol 133 ◽  
pp. 107195
Author(s):  
Andrei Novitskii ◽  
Illia Serhiienko ◽  
Andrei Nepapushev ◽  
Alexandra Ivanova ◽  
Tatyana Sviridova ◽  
...  
Keyword(s):  
Thermoelectric Properties ◽  
Mechanochemical Synthesis ◽  
Heusler Alloy
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