The Role of Defects in Li3ClO Solid Electrolyte: Calculations and Experiments

2013 ◽  
Vol 1526 ◽  
Author(s):  
M. Helena Braga ◽  
Verena Stockhausen ◽  
Joana C.E. Oliveira ◽  
Jorge A. Ferreira
Keyword(s):  
Ionic Conductivity ◽  
Solid Electrolyte ◽  
Room Temperature ◽  
Defect Formation ◽  
Ionic Conductors ◽  
Activation Barriers ◽  
Ionic Solid ◽  
Formation Energies ◽  
State Ionic

ABSTRACTWe have analyzed the hopping movement of a new ionic solid electrolyte by calculating defect formation energies and activation barriers. The role of the lattice during diffusion was established. Thermodynamic properties were determined by means of first principles and phonon calculations at working temperatures. The new solid electrolyte, an antiperovskite, Li3-2xMxAO (in which M is a higher valent cation like Ca2+ or Mg2+ and A is a halide like Cl- or Br- or a mixture of halides), was studied either pure or doped. Moreover, we present experimental ionic conductivity data for these novel solid state ionic conductors for the doped and the pure solid electrolyte from room temperature and up to ∼253 °C. In this paper, we compare the ionic conductivity of the latter solid electrolyte with other fast ionic conductors.

scholarly journals Anion ordering enables fast H− conduction at low temperatures

2021 ◽  
Vol 7 (23) ◽  
pp. eabf7883
Author(s):  
Hiroki Ubukata ◽  
Fumitaka Takeiri ◽  
Kazuki Shitara ◽  
Cédric Tassel ◽  
Takashi Saito ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Room Temperature ◽  
Structural Transition ◽  
Hexagonal Lattice ◽  
Ionic Conductors ◽  
Activation Barriers ◽  
Energy Devices ◽  
Energy Applications ◽  
Chemical Disorder ◽  
New Energy

The introduction of chemical disorder by substitutional chemistry into ionic conductors is the most commonly used strategy to stabilize high-symmetric phases while maintaining ionic conductivity at lower temperatures. In recent years, hydride materials have received much attention owing to their potential for new energy applications, but there remains room for development in ionic conductivity below 300°C. Here, we show that layered anion-ordered Ba2−δH3−2δX (X = Cl, Br, and I) exhibit a remarkable conductivity, reaching 1 mS cm−1 at 200°C, with low activation barriers allowing H− conduction even at room temperature. In contrast to structurally related BaH2 (i.e., Ba2H4), the layered anion order in Ba2−δH3−2δX, along with Schottky defects, likely suppresses a structural transition, rather than the traditional chemical disorder, while retaining a highly symmetric hexagonal lattice. This discovery could open a new direction in electrochemical use of hydrogen in synthetic processes and energy devices.

How Certain Are the Reported Ionic Conductivities of Thiophosphate-Based Solid Electrolytes? an Interlaboratory Study

2020 ◽  
Author(s):  
Saneyuki Ohno ◽  
Tim Bernges ◽  
Johannes Buchheim ◽  
Marc Duchardt ◽  
Anna-Katharina Hatz ◽  
...  
Keyword(s):  
Standard Deviation ◽  
Ionic Conductivity ◽  
Relative Standard Deviation ◽  
Solid Electrolytes ◽  
Ionic Conductivities ◽  
Ionic Conductors ◽  
Energy Storage Devices ◽  
Activation Barriers ◽  
Storage Devices ◽  
Relative Standard

<p>Owing to highly conductive solid ionic conductors, all-solid-state batteries attract significant attention as promising next-generation energy storage devices. A lot of research is invested in the search and optimization of solid electrolytes with higher ionic conductivity. However, a systematic study of an <i>interlaboratory reproducibility</i> of measured ionic conductivities and activation energies is missing, making the comparison of absolute values in literature challenging. In this study, we perform an uncertainty evaluation via a Round Robin approach using different Li-argyrodites exhibiting orders of magnitude different ionic conductivities as reference materials. Identical samples are distributed to different research laboratories and the conductivities and activation barriers are measured by impedance spectroscopy. The results show large ranges of up to 4.5 mScm<sup>-1</sup> in the measured total ionic conductivity (1.3 – 5.8 mScm<sup>-1</sup> for the highest conducting sample, relative standard deviation 35 – 50% across all samples) and up to 128 meV for the activation barriers (198 – 326 meV, relative standard deviation 5 – 15%, across all samples), presenting the necessity of a more rigorous methodology including further collaborations within the community and multiplicate measurements.</p>

Room-temperature ionic conductivity of Ba, Y, Al co-doped Li7La3Zr2O12 solid electrolyte after sintering

Rare Metals ◽  
2020 ◽  
Author(s):  
Xiao-Zhen Liu ◽  
Lei Ding ◽  
Yu-Ze Liu ◽  
Li-Ping Xiong ◽  
Jie Chen ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Solid Electrolyte ◽  
Room Temperature ◽  
Co Doped

Aluminum based sulfide solid lithium ionic conductors for all solid state batteries

Nanoscale ◽  
2014 ◽  
Vol 6 (12) ◽  
pp. 6661-6667 ◽  
Author(s):  
S. Amaresh ◽  
K. Karthikeyan ◽  
K. J. Kim ◽  
Y. G. Lee ◽  
Y. S. Lee
Keyword(s):  
Solid State ◽  
Ionic Conductivity ◽  
Solid Electrolyte ◽  
Organic Liquid ◽  
Liquid Electrolyte ◽  
Ionic Conductors ◽  
Lithium Secondary Batteries ◽  
Solid State Batteries ◽  
All Solid State Batteries ◽  
The Cost

The ionic conductivity of a Li–Al–Ge–P–S based thio-LISICON solid electrolyte is equivalent to that of a conventional organic liquid electrolyte used in lithium secondary batteries. The usage of aluminum brings down the cost of the solid electrolyte making it suitable for commercial solid state batteries.

scholarly journals Room-Temperature Mg-Ion Conduction Through Molecular Crystal Mg{N(SO2CF3)2}2(CH3OC5H9)2

2021 ◽  
Vol 9 ◽  
Author(s):  
Takaaki Ota ◽  
Shota Uchiyama ◽  
Keiichi Tsukada ◽  
Makoto Moriya
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Ionic Conductivity ◽  
Molecular Crystal ◽  
Solid Electrolytes ◽  
Room Temperature ◽  
Molecular Crystals ◽  
Transference Number ◽  
Ion Conducting ◽  
State Ionic

Molecular crystals have attracted increasing attention as a candidate for innovative solid electrolytes with solid-state Mg-ion conductivity. In this work, we synthesized a novel Mg-ion-conducting molecular crystal, Mg{N(SO2CF3)2}2(CH3OC5H9)2 (Mg(TFSA)2(CPME)2), composed of Mg bis(trifluoromethanesulfonyl)amide (Mg(TFSA)2) and cyclopentyl methyl ether (CPME) and elucidated its crystal structure. We found that the obtained Mg(TFSA)2(CPME)2 exhibits solid-state ionic conductivity at room temperature and a high Mg-ion transference number of 0.74. Contrastingly, most Mg-conductive inorganic solid electrolytes require heating above 150–300°C to exhibit ionic conductivity. These results further prove the suitability of molecular crystals as candidates for Mg-ion-conducting solid electrolytes.

Ionic Conduction Performance of Solid Electrolyte Materials

2010 ◽  
Vol 156-157 ◽  
pp. 799-802
Author(s):  
Ming Zhou ◽  
Yan Wen Tian
Keyword(s):  
Experimental Data ◽  
Ionic Conductivity ◽  
Solid Electrolyte ◽  
Ionic Conduction ◽  
Sol Gel ◽  
Ionic Conductivities ◽  
Microwave Method ◽  
Ionic Conductors ◽  
Base Materials ◽  
Polycrystalline Powder

This experiment composes irreversible cells using ultrafine electrolyte materials and platinum slices, to measure the ionic conductivity the cells at normal temperatures with the help of impedance 1286 spectroscopy. We have calculated the ionic conductivities, which indicate that the ionic conductivities of the merchant LaF3 polycrystalline powder and the powder by microwave method are higher than the ones of LaF3 crystal and the powder by Sol-Gel method, to achieve 10-6 Scm-1, so, they are better ionic conductors at normal temperature and can be used as sensor base materials. The experimental data show that O- participates in ionic conduction.

Characterization of (ENR-50)-Ionic Liquid Based Electrolyte System

2011 ◽  
Vol 287-290 ◽  
pp. 424-427 ◽  
Author(s):  
Norazlin Zainal ◽  
Razali Idris ◽  
Mohamed Nor Sabirin
Keyword(s):  
Ionic Liquid ◽  
Fourier Transform ◽  
Glass Transition ◽  
Ionic Conductivity ◽  
Room Temperature ◽  
Electrolyte System ◽  
Imidazolium Cation ◽  
Increasing Trend

Ionic liquid based on imidazolium cation; 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (EMITFSI) has been incorporated with epoxidized natural rubber-50 (ENR-50) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) to obtain electrolyte material. Fourier transform infrared spectroscopy (FTIR) spectra showed evidence of complexation between ENR-50, EMITFSI and LiTFSI. Glass transition temperature, Tg displayed an increasing trend with increase in salt concentration. The incorporation of EMITFSI resulted in an increase in ionic conductivity. The increase in ionic conductivity was attributed to the role of ionic liquid which reduced Tg, thus, facilitated ion conduction in the system. The highest ionic conductivity at room temperature was 5.72 ´ 10-4 S cm-1 for sample containing 20 wt% of EMITFSI and 50 wt% of LiTFSI.

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