<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Keshri, Shweta R.</style></author><author><style face="normal" font="default" size="100%">Ganisetti, Sudheer</style></author><author><style face="normal" font="default" size="100%">Kumar, Rajesh</style></author><author><style face="normal" font="default" size="100%">Gaddam, Anuraag</style></author><author><style face="normal" font="default" size="100%">Illath, Kavya</style></author><author><style face="normal" font="default" size="100%">Ajithkumar, Thalasseril G.</style></author><author><style face="normal" font="default" size="100%">Balaji, Sathravada</style></author><author><style face="normal" font="default" size="100%">Annapurna, K.</style></author><author><style face="normal" font="default" size="100%">Nasani, Narendar</style></author><author><style face="normal" font="default" size="100%">Krishnan, N. M. Anoop</style></author><author><style face="normal" font="default" size="100%">Allu, Amarnath R.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Ionic conductivity of Na3Al2P3O12 glass electrolytes role of charge compensators</style></title><secondary-title><style face="normal" font="default" size="100%">Inorganic Chemistry</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">60</style></volume><pages><style face="normal" font="default" size="100%">12893-12905</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">In glasses, a sodium ion (Na+) is a significant mobile cation that takes up a dual role, that is, as a charge compensator and also as a network modifier. As a network modifier, Na+ cations modify the structural distributions and create nonbridging oxygens. As a charge compensator, Na+ cations provide imbalanced charge for oxygen that is linked between two network-forming tetrahedra. However, the factors controlling the mobility of Na+ ions in glasses, which in turn affects the ionic conductivity, remain unclear. In the current work, using high-fidelity experiments and atomistic simulations, we demonstrate that the ionic conductivity of the Na3Al2P3O12 (Si0) glass material is dependent not only on the concentration of Na+ charge carriers but also on the number of charge-compensated oxygens within its first coordination sphere. To investigate, we chose a series of glasses formulated by the substitution of Si for P in Si0 glass based on the hypothesis that Si substitution in the presence of Na+ cations increases the number of SiOAl bonds, which enhances the role of Na as a charge compensator. The structural and conductivity properties of bulk glass materials are evaluated by molecular dynamics (MD) simulations, magic angle spinning-nuclear magnetic resonance, Raman spectroscopy, and impedance spectroscopy. We observe that the increasing number of charge-imbalanced bridging oxygens (BOs) with the substitution of Si for P in Si0 glass enhances the ionic conductivity by an order of magnitudefrom 3.7 x 10(-8) S.cm(-1) to 3.3 x 10(7) S.cm(-1) at 100 degrees C. By rigorously quantifying the channel regions in the glass structure, using MD simulations, we demonstrate that the enhanced ionic conductivity can be attributed to the increased connectivity of Na-rich channels because of the increased charge-compensated BOs around the Na atoms. Overall, this study provides new insights for designing next-generation glass-based electrolytes with superior ionic conductivity for Na-ion batteries</style></abstract><issue><style face="normal" font="default" size="100%">17</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">5.165</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Keshri, Shweta R.</style></author><author><style face="normal" font="default" size="100%">Mandal, Indrajeet</style></author><author><style face="normal" font="default" size="100%">Ganisetti, Sudheer</style></author><author><style face="normal" font="default" size="100%">Kasimuthumaniyan, S.</style></author><author><style face="normal" font="default" size="100%">Kumar, Rajesh</style></author><author><style face="normal" font="default" size="100%">Gaddam, Anuraag</style></author><author><style face="normal" font="default" size="100%">Shelke, Ankita</style></author><author><style face="normal" font="default" size="100%">Ajithkumar, Thalasseril G.</style></author><author><style face="normal" font="default" size="100%">Gosvami, Nitya Nand</style></author><author><style face="normal" font="default" size="100%">Krishnan, N. M. Anoop</style></author><author><style face="normal" font="default" size="100%">Allu, Amarnath R.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Elucidating the influence of structure and Ag+ -Na+ ion-exchange on crack-resistance and ionic conductivity of Na3Al1.8Si1.65 P-1.8 O-12 glass electrolyte</style></title><secondary-title><style face="normal" font="default" size="100%">Acta Materialia</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">amorphous</style></keyword><keyword><style  face="normal" font="default" size="100%">Ion-exchange</style></keyword><keyword><style  face="normal" font="default" size="100%">Ionic-conductivity</style></keyword><keyword><style  face="normal" font="default" size="100%">MD simulations</style></keyword><keyword><style  face="normal" font="default" size="100%">Mechanical property</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">APR </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">227</style></volume><pages><style face="normal" font="default" size="100%">117745</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	Glasses are emerging as promising and efficient solid electrolytes for all-solid-state sodium-ion batteries. However, they still suffer from poor ionic conductivity and crack-resistance, which need to be improved for better battery performance, reliability, and service life. The current study shows a significant enhancement in crack resistance (from 11.3 N to 32.9 N) for Na3Al (1.8) Si-1.65 P1.8O12 glass (Ag-0 glass) upon Na+ -Ag+ ion-exchange (IE) due to compressive stresses generated in the glass surface while the ionic conductivity values (similar to 10(-5) S/cm at 473 K) were retained. In this study, magic angle spinning-nuclear magnetic resonance (MAS-NMR), molecular dynamics (MD) simulations, Vickers micro hardness, and impedance spectroscopic techniques were used to evaluate the intermediate-range structure, atomic structure, crack resistance and conductivity of the glass. MAS-NMR and MD simulations confirm the presence of Si-OAl-O-P groups in the glass, thus enabling formation of Na percolated channel regions. AC-conductivity analysis for Ag-0 and ion-exchanged Ag-0 glass suggests that the mobility of Na+ ion increases with increasing temperature. It is observed that the measured mean square displacement (root &amp;lt; R-2(t(p))&amp;gt;) for sodium cations using AC-conductivity isotherms is nearly constant up to 448 K and then increases with increasing temperature up to 523 K. From the impedance spectra for ion-exchanged Ag-0 glass, it is identified that the increase in root &amp;lt; R-2 (t(nu))&amp;gt; and thereby, the mobility of sodium-ions for Ag-0 glass is due to the structural variations in the Ag-0 glass with increasing the temperature. Overall, the mechanisms presented in this article helps in formulating better glass based electrolyte materials for room temperature or high temperature sodium-ion batteries. (C) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.&lt;/p&gt;
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