Mechanisms and properties of ion-transport in inorganic solid electrolytes

B Zhang, R Tan, L Yang, J Zheng, K Zhang, S Mo… - Energy Storage …, 2018 - Elsevier
Compared with conventional lithium-ion batteries, all-solid-state lithium batteries (ASSLBs)
based on inorganic solid electrolytes (ISEs) are relatively new research hotspots, which can …

Fundamental questions relating to ion conduction in disordered solids

JC Dyre, P Maass, B Roling… - Reports on Progress in …, 2009 - iopscience.iop.org
A number of basic scientific questions relating to ion conduction in homogeneously
disordered solids are discussed. The questions deal with how to define the mobile ion …

Understanding ionic conduction and energy storage materials with bond-valence-based methods

S Adams, RP Rao - Bond Valences, 2014 - Springer
The analysis and prediction of ion transport in solids from static and dynamic structure
models has become an interesting application for the bond valence approach. Specific …

High power lithium ion battery materials by computational design

S Adams, RP Rao - physica status solidi (a), 2011 - Wiley Online Library
Empirical bond length–bond valence (BV) relations provide insight into the link between
structure of and ion transport in solid electrolytes and mixed conductors. Building on our …

High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory

R Xiao, H Li, L Chen - Scientific reports, 2015 - nature.com
Looking for solid state electrolytes with fast lithium ion conduction is an important
prerequisite for developing all-solid-state lithium secondary batteries. By combining the …

Transport pathways for mobile ions in disordered solids from the analysis of energy-scaled bond-valence mismatch landscapes

S Adams, RP Rao - Physical Chemistry Chemical Physics, 2009 - pubs.rsc.org
Structure–property relationships provide valuable guidelines for a systematic development
of functional materials. Here an augmented bond-valence approach is worked out that is …

Improved empirical force field for multicomponent oxide glasses and crystals

M Bertani, MC Menziani, A Pedone - Physical Review Materials, 2021 - APS
In this paper, the self-consistent PMMCS force fields (FFs)[Pedone et al., J. Phys. Chem. B
110, 11780 (2006) 10.1021/jp0611018] widely used for the simulation of a large variety of …

[HTML][HTML] Revisiting the ionic diffusion mechanism in Li3PS4 via the joint usage of geometrical analysis and bond valence method

L Pan, L Zhang, A Ye, S Chi, Z Zou, B He, L Chen… - Journal of …, 2019 - Elsevier
Inorganic solid electrolytes have obvious advantages on safety and electrochemical stability
compared to organic liquid electrolytes, but the advance on high ionic conductivity of typical …

[HTML][HTML] Fluoride ion dynamics in nanocrystalline α-PbF2: On the tremendous impact of structural disorder on F− anion hopping in poor ion conductors

T Scheiber, M Gombotz, K Hogrefe, HMR Wilkening - Solid State Ionics, 2022 - Elsevier
PbF 2 has already been the subject of one of Michael Faraday's experiments that played the
crucial part in the discovery of fast F− anion transport in solids. In contrast to the cubic form of …

Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3

Y Zhou, S Adams, RP Rao, DD Edwards… - Chemistry of …, 2008 - ACS Publications
Discussions about the nature of the charge carriers in the scandium tungstate and other
isostructural tungstates and molybdates have persisted in the literature since a variety of …