Superionic lithium transport via multiple coordination environments defined by two anion packing

Han, Guopeng, Vasylenko, Andrij, Daniels, Luke, Collins, Chris, Corti, Lucia, Chen, Ruiyong, Niu, Hongjun, Manning, Troy, Antypov, Dmytro, Dyer, Matthew, Lim, Jungwoo, Zanella, Marco, Sonni, Manel, Bahri, Mounib, Jo, Hongil, Dang, Yun, Robertson, Craig, Blanc, Frederic, Hardwick, Laurence, Browning, Nigel, Claridge, John and Rosseinsky, Matthew (2023) Superionic lithium transport via multiple coordination environments defined by two anion packing. [Data Collection]

Data Catalogue DOI: 10.17638/datacat.liverpool.ac.uk/1989

Description

Fast cation transport in solids underpins energy storage. Materials design has focused on structures that can define transport pathways with minimal cation coordination change, restricting attention to a small part of chemical space. Motivated by the greater structural diversity of binary intermetallics than that of the metallic elements, we use two anions to build a pathway for three-dimensional superionic lithium ion conductivity that exploits multiple cation coordination environments. Li7Si2S7I is a pure lithium ion conductor created by an ordering of sulphide and iodide that combines elements of hexagonal and cubic close-packing analogously to the structure of NiZr. The resulting diverse network of lithium positions with distinct geometries and anion coordination chemistries affords low barriers to transport, opening a large structural space for high cation conductivity.

Keywords:

Li ion battery, Li ion conductor, Li electrolyte, Solid-state chemistry

Divisions:

Faculty of Science and Engineering > School of Physical Sciences > Chemistry

Depositing User:

Luke Daniels

Date Deposited:

22 Jan 2024 15:22

Last Modified:

22 Jan 2024 15:22

DOI:

10.17638/datacat.liverpool.ac.uk/1989

URI:

https://datacat.liverpool.ac.uk/id/eprint/1989

Additional details

Creators:	Han, Guopeng Vasylenko, Andrij Daniels, Luke Collins, Chris Corti, Lucia Chen, Ruiyong Niu, Hongjun Manning, Troy Antypov, Dmytro Dyer, Matthew Lim, Jungwoo Zanella, Marco Sonni, Manel Bahri, Mounib Jo, Hongil Dang, Yun Robertson, Craig Blanc, Frederic Hardwick, Laurence Browning, Nigel Claridge, John Rosseinsky, Matthew
Research funder:	Grant Number Name of the Funder The Funder's ID EP/N004884/1 EPSRC 172 EP/V026887/1 EPSRC 172 FIRG026 Faraday Institution SOLBAT 172 EP/T022213 A*STAR Computational Resource Centre 845 EP/W032260 EP/P020194/1 16 EP/S003053/1 THE FARADAY INSTITUTION (UK) 5
Date:	4 January 2023
Statement on legal, ethical and access issues :	No access restrictions, data can be made immediately available.
Data processing and preparation activities :	README files are provided within separate data folders.
Resource language:	English
Publisher:	University of Liverpool
Contact email address:	l.m.daniels@liverpool.ac.uk
Last Modified:	22 Jan 2024 15:22