scholarly journals Computational investigation of the Mg-ion conductivity and phase stability of MgZr4(PO4)6

RSC Advances ◽  
2019 ◽  
Vol 9 (22) ◽  
pp. 12590-12595 ◽  
Author(s):  
Koki Nakano ◽  
Yusuke Noda ◽  
Naoto Tanibata ◽  
Masanobu Nakayama ◽  
Koichi Kajihara ◽  
...  
Keyword(s):  
Phase Stability ◽  
Ion Conductivity ◽  
Computational Studies ◽  
Computational Investigation ◽  
Ion Conduction ◽  
Nasicon Type

Computational studies on Mg ion conduction in the MgZr2(PO4)6 with both NASICON-type and β sulfate-type structures have been performed.

scholarly journals Ion-conduction mechanisms in NaSICON-type membranes for energy storage and utilization

2015 ◽  
Author(s):  
Anthony H. McDaniel ◽  
Jon F. Ihlefeld ◽  
Norman Charles Bartelt
Keyword(s):  
Energy Storage ◽  
Ion Conduction ◽  
Conduction Mechanisms ◽  
Nasicon Type

scholarly journals Fused Thiazine Tethered Metal-Free Dyes for Dye Sensitized Solar Cells: A Computational Investigation

2021 ◽  
Vol 33 (10) ◽  
pp. 2373-2378
Author(s):  
K. Gokula Krishnan ◽  
V. Saravanan ◽  
C. Udhaya Kumar ◽  
C. Ramalingan
Keyword(s):  
Solar Cells ◽  
Driving Forces ◽  
Dye Sensitized Solar Cells ◽  
Computational Studies ◽  
Computational Investigation ◽  
Dye Sensitized ◽  
B3lyp Method ◽  
Harvesting Efficiency ◽  
Dye Regeneration ◽  
Sensitized Solar Cells

Three novel cyanoacetamide decorated phenothiazines (1a-c) have been designed. Structural and photo-physical properties of the molecules 1a-c have been investigated. To better realize the charge transport process involved in the dye-sensitized solar cells (DSSCs), computational studies have been performed using B3LYP and CAM-B3LYP method for the dyes 1a-c. Theoretical findings for DSSCs include LHE (light-harvesting efficiency) and driving forces such as electron injection (ΔGinject) and dye regeneration have been calculated to envisage the most appropriate dyes for the application of DSSC.

Enhancement of Hf4+Ion Conductivity in a NASICON-Type Solid

2010 ◽  
Vol 83 (4) ◽  
pp. 415-418 ◽  
Author(s):  
Naoyoshi Nunotani ◽  
Masayuki Sawada ◽  
Shinji Tamura ◽  
Nobuhito Imanaka
Keyword(s):  
Ion Conductivity ◽  
Nasicon Type

Investigation on the Single-Ion Conductivity of PAN/Li-MMT Nanocomposite

2014 ◽  
Vol 925 ◽  
pp. 344-348
Author(s):  
Mitch Irene Kate N. Galvan ◽  
Junierose C. Diamante ◽  
Leslie Joy L. Diaz
Keyword(s):  
Electrical Conductivity ◽  
Ion Exchange ◽  
Ion Conductivity ◽  
Conductivity Measurements ◽  
Ion Conduction ◽  
Solution Intercalation

In this study, PCNs were synthesized using Li impregnated montmorillonite (Li-MMT) in PAN matrix to promote single-ion conduction. Ion exchange resulted to 4782.5 ± 112.5 ppm Li+ ions impregnated to MMT. Then, Li-MMT was incorporated to PAN via solution intercalation method. The investigation on the structure of PAN/Li-MMT nanocomposites showed that PAN was partially intercalated with Li-MMT. Moreover, electrical conductivity measurements showed that the conductivity for PCN with 15wt% Li-MMT was 3.58x10-8 S/cm.

Phase Stability Control of Interstitial Oxide Ion Conductivity in the La1+xSr1−xGa3O7+x/2Melilite Family

2010 ◽  
Vol 22 (8) ◽  
pp. 2510-2516 ◽  
Author(s):  
Chris I. Thomas ◽  
Xiaojun Kuang ◽  
Zengqiang Deng ◽  
Hongjun Niu ◽  
John B. Claridge ◽  
...  
Keyword(s):  
Phase Stability ◽  
Stability Control ◽  
Ion Conductivity ◽  
Oxide Ion Conductivity ◽  
Oxide Ion

ChemInform Abstract: Trivalent Sc3+ Ion Conduction in Sc1/3Zr2(PO4)3 Solids with the NASICON-Type Structure.

ChemInform ◽  
2010 ◽  
Vol 31 (10) ◽  
pp. no-no
Author(s):  
Shinji Tamura ◽  
Nobuhito Imanaka ◽  
Gin-ya Adachi
Keyword(s):  
Type Structure ◽  
Ion Conduction ◽  
Nasicon Type

High-Trivalent Rare Earth Ion Conduction in Solids Based on NASICON-Type Phosphate

2008 ◽  
Vol 81 (4) ◽  
pp. 521-524 ◽  
Author(s):  
Yasunori Hasegawa ◽  
Shinji Tamura ◽  
Mineo Sato ◽  
Nobuhito Imanaka
Keyword(s):  
Rare Earth ◽  
Rare Earth Ion ◽  
Ion Conduction ◽  
Nasicon Type ◽  
Trivalent Rare Earth

Phase stability and oxygen ion conduction in Bi2O3−Pr6O11

1993 ◽  
Vol 62 (3-4) ◽  
pp. 179-184 ◽  
Author(s):  
N SAMMES ◽  
G GAINSFORD
Keyword(s):  
Phase Stability ◽  
Ion Conduction ◽  
Oxygen Ion

Superionic conduction in β-eucryptite: inelastic neutron scattering and computational studies

2017 ◽  
Vol 19 (23) ◽  
pp. 15512-15520 ◽  
Author(s):  
Baltej Singh ◽  
Mayanak Kumar Gupta ◽  
Ranjan Mittal ◽  
Mohamed Zbiri ◽  
Stephane Rols ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Minimum Energy ◽  
Inelastic Neutron ◽  
Computational Studies ◽  
Ion Conduction ◽  
Correlated Motion ◽  
Superionic Conduction ◽  
Minimum Energy Pathway

The inter- and intra-channel correlated motion of lithium along the hexagonalc-axis gives the minimum energy pathway for ion conduction.

scholarly journals Sodium Ion Conductivity in Superionic IL-Impregnated Metal-Organic Frameworks: Enhancing Stability Through Structural Disorder

2019 ◽  
Author(s):  
Vahid Nozari ◽  
Courtney Calahoo ◽  
Joshua M. Tuffnell ◽  
Philipp Adelhelm ◽  
Katrin Wondraczek ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Room Temperature ◽  
Metal Organic Frameworks ◽  
Ambient Air ◽  
Ion Conductivity ◽  
Sodium Ion ◽  
Composite Electrolytes ◽  
Ion Conduction ◽  
General Importance ◽  
Metal Organic

<p>Metal—organic frameworks (MOFs) are intriguing host materials in composite electrolytes due to their ability for tailoring host-guest interactions by chemical tuning of the MOF backbone. Here, we introduce particularly high sodium ion conductivity into the zeolitic imidazolate framework ZIF-8 by impregnation with the sodium-salt-containing ionic liquid (IL) (Na0.1¬EMIM0.9)TFSI. We demonstrate an ionic conductivity exceeding 2×10-4 S ⋅cm-1 at room temperature, with an activation energy as low as 0.26 eV, i.e., the highest reported performance for room temperature Na+-related ion conduction in MOF-based composite electrolytes to date. Partial amorphization of the ZIF-backbone by ball-milling results in significant enhancement of the composite stability, reflecting in persistent and stable ionic conductivity during exposure to ambient air over up to 20 days. While the introduction of network disorder decelerates IL exudation and interactions with ambient contaminants, the ion conductivity is only marginally affected, decreasing linearly with decreasing crystallinity but still maintaining superionic behavior. This highlights the general importance of 3D networks of interconnected pores for efficient ion conduction in MOF/IL blends, whereas pore symmetry is a presumably less stringent condition.</p>

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