Counterion Effects on Ion Mobility and Mobile Ion Concentration of Doped Polyphosphazene and Polyphosphazene Ionomers

2007 ◽  
Vol 40 (11) ◽  
pp. 3990-3995 ◽  
Author(s):  
Robert J. Klein ◽  
Daniel T. Welna ◽  
Arlin L. Weikel ◽  
Harry R. Allcock ◽  
James Runt
Keyword(s):  
Ion Mobility ◽  
Ion Concentration ◽  
Mobile Ion Concentration

scholarly journals Mobile Ion Concentration Measurement and Open-Access Band Diagram Simulation Platform for Halide Perovskite Solar Cells

Joule ◽  
2020 ◽  
Vol 4 (1) ◽  
pp. 109-127 ◽  
Author(s):  
Luca Bertoluzzi ◽  
Caleb C. Boyd ◽  
Nicholas Rolston ◽  
Jixian Xu ◽  
Rohit Prasanna ◽  
...  
Keyword(s):  
Solar Cells ◽  
Open Access ◽  
Perovskite Solar Cells ◽  
Concentration Measurement ◽  
Ion Concentration ◽  
Simulation Platform ◽  
Band Diagram ◽  
Halide Perovskite ◽  
Mobile Ion Concentration

scholarly journals Mechanism of magnesium transport in spinel chalcogenides

2021 ◽  
Author(s):  
Mohsen Sotoudeh ◽  
Manuel Dillenz ◽  
Axel Groß
Keyword(s):  
Ionic Conductivity ◽  
Ion Mobility ◽  
Density Functional ◽  
Electrode Materials ◽  
Critical Role ◽  
High Energy ◽  
Ion Concentration ◽  
Critical Parameters ◽  
Site Preference ◽  
The Impact

Abstract In the area of sustainable energy storage, batteries based on multivalent ions such as magnesium have been attracting considerable attention due to their potential for high energy densities. Furthermore, they are typically also more abundant than, e.g., lithium. However, as a challenge their low ion mobility in electrode materials remains. This study addresses the ionic conductivity of magnesium in spinel host materials based on periodic density functional theory calculations in order to identify the critical parameters which determine the mobility and insertion of ions. We will in particular highlight the critical role that trigonal distortions of the spinel structure play for the ion mobility. In detail, we will show that it is the competition between coordination and bond length that governs the Mg site preference in ternary spinel compounds upon trigonal distortions which can only be understood by also taking covalent interactions into account. Based on our theoretical study, we rationalize the impact of the metal distribution in the host material and the ion concentration on the diffusion process. Furthermore, cathode-related challenges for practical devices will be addressed. Our findings shed light on the fundamentional mechanisms underlying ionic conductivity in solid hosts and thus may contribute to improve ion transport in battery electrodes.

scholarly journals Mechanism of magnesium transport in spinel chalcogenides

2021 ◽  
Author(s):  
Mohsen Sotoudeh ◽  
Manuel Dillenz ◽  
Axel Groß
Keyword(s):  
Ionic Conductivity ◽  
Ion Mobility ◽  
Density Functional ◽  
Electrode Materials ◽  
Critical Role ◽  
High Energy ◽  
Ion Concentration ◽  
Critical Parameters ◽  
Site Preference ◽  
The Impact

Abstract In the area of sustainable energy storage, batteries based on multivalent ions such as magnesium have been attracting considerable attention due to their potential for high energy densities. Furthermore, they are typically also more abundant than, e.g., lithium. However, as a challenge their low ion mobility in electrode materials remains. This study addresses the ionic conductivity in spinel host materials which represent a promising class of cathode and solid-electrolyte materials in Mg-ion batteries. Based on periodic density functional theory calculations, we identify the critical parameters which determine the mobility and insertion of ions. We will in particular highlight the critical role that trigonal distortions of the spinel structure play for the ion mobility. In detail, we will show that it is the competition between coordination and bond length that governs the Mg site preference in ternary spinel compounds upon trigonal distortions. This can only be understood by also taking covalent interactions into account. Furthermore, our calculations suggest that anionic redox plays a much more important role in sulfide and selenide spinels than in oxide spinels. Based on our theoretical study, we rationalize the impact of the metal distribution in the host material and the ion concentration on the diffusion process. Furthermore, cathode-related challenges for practical devices will be addressed. Our findings shed light on the fundamentional mechanisms underlying ionic conductivity in solid hosts and thus may contribute to improve ion transport in battery electrodes.

New approach to measuring oxide charge and mobile ion concentration

1994 ◽  
Author(s):  
Piotr Edelman ◽  
Andrew M. Hoff ◽  
Lubek Jastrzebski ◽  
Jacek J. Lagowski
Keyword(s):  
Ion Concentration ◽  
New Approach ◽  
Oxide Charge ◽  
Mobile Ion Concentration
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