Oxide ion-conducting materials containing tetrahedral moieties: structures and conduction mechanisms

X Yang, AJ Fernández-Carrión, X Kuang - Chemical Reviews, 2023 - ACS Publications
This Review presents an overview from the perspective of tetrahedral chemistry on various
oxide ion-conducting materials containing tetrahedral moieties which have received …

Statistical variances of diffusional properties from ab initio molecular dynamics simulations

X He, Y Zhu, A Epstein, Y Mo - npj Computational Materials, 2018 - nature.com
Ab initio molecular dynamics (AIMD) simulation is widely employed in studying diffusion
mechanisms and in quantifying diffusional properties of materials. However, AIMD …

Solid oxide proton conductors beyond perovskites

S Fop - Journal of Materials Chemistry A, 2021 - pubs.rsc.org
Solid oxide proton conductors are crucially emerging as key materials for enabling hydrogen-
based energy conversion, storage, and electrochemical technologies. Oxides crystallising in …

Cooperative mechanisms of oxygen vacancy stabilization and migration in the isolated tetrahedral anion Scheelite structure

X Yang, AJ Fernández-Carrión, J Wang… - Nature …, 2018 - nature.com
Tetrahedral units can transport oxide anions via interstitial or vacancy defects owing to their
great deformation and rotation flexibility. Compared with interstitial defects, vacancy …

High oxygen vacancy concentration and improved electrical conductivity in tetragonal LaNbO4 stabilized by Ga and Mo Co-do** on the Nb site

X Duan, S Wu, J Hao, L He, C Lou, M Tang, X Deng… - Acta Materialia, 2024 - Elsevier
The LaNbO 4-based materials were well documented to be good ionic conductors with the
charge carriers of protons or interstitial oxygen ions. Herein, for the first time, we reported …

Sodium Ion Diffusion and Voltage Trends in Phosphates Na4M3(PO4)2P2O7 (M = Fe, Mn, Co, Ni) for Possible High-Rate Cathodes

SM Wood, C Eames, E Kendrick… - The Journal of Physical …, 2015 - ACS Publications
Polyanionic phosphates have the potential to act as low-cost cathodes and stable framework
materials for Na ion batteries. The mixed phosphates Na4M3 (PO4) 2P2O7 (M= Fe, Mn, Co …

Disorder and Oxide Ion Diffusion Mechanism in La1.54Sr0.46Ga3O7.27 Melilite from Nuclear Magnetic Resonance

L Corti, D Iuga, JB Claridge… - Journal of the …, 2023 - ACS Publications
Layered tetrahedral network melilite is a promising structural family of fast ion conductors
that exhibits the flexibility required to accommodate interstitial oxide anions, leading to …

Hexagonal perovskite derivatives: a new direction in the design of oxide ion conducting materials

S Fop, KS McCombie, EJ Wildman… - Chemical …, 2019 - pubs.rsc.org
Various structural families have been reported to support oxide ion conductivity; among
these, perovskite conductors have received particular attention. The perovskite structure is …

Na 2 CoSiO 4 as a cathode material for sodium-ion batteries: structure, electrochemistry and diffusion pathways

JC Treacher, SM Wood, MS Islam… - Physical Chemistry …, 2016 - pubs.rsc.org
The importance of develo** new low-cost and safe cathodes for large-scale sodium
batteries has led to recent interest in silicate compounds. A novel cobalt orthosilicate …

[PDF][PDF] High‐Voltage Pyrophosphate Cathode: Insights into Local Structure and Lithium‐Diffusion Pathways

JM Clark, S Nishimura, A Yamada… - Angewandte Chemie …, 2012 - people.bath.ac.uk
Rechargeable lithium batteries have helped power the consumer revolution in portable
electronic devices. The search for alternative cathode materials to replace layered LiCoO2 …