Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry
The selection of the elements to combine delimits the possible outcomes of synthetic
chemistry because it determines the range of compositions and structures, and thus …
chemistry because it determines the range of compositions and structures, and thus …
New insights into Li-argyrodite solid-state electrolytes based on doping strategies
D Wang, H Shi, S Wang, X Wu, W Jiang, S Liang… - Coordination Chemistry …, 2024 - Elsevier
Sulfide solid-state electrolytes (SSEs), as the most important component of all-solid-state
batteries (ASSBs), have a profound impact on their performance. Among the many sulfide …
batteries (ASSBs), have a profound impact on their performance. Among the many sulfide …
Annealing‐Free Thioantimonate Argyrodites with High Li‐Ion Conductivity and Low Elastic Modulus
WD Jung, JS Kim, YJ Kim, H Jeong… - Advanced Functional …, 2023 - Wiley Online Library
Although Li‐ion superconducting sulfides have been developed as solid electrolytes (SEs)
in all‐solid‐state batteries, their high deformability, which is inherently beneficial for room …
in all‐solid‐state batteries, their high deformability, which is inherently beneficial for room …
How crystal structure and microstructure can influence the sodium-ion conductivity in halide perovskites
The perovskite crystal structure with nominal composition ABX3 offers a very flexible
framework for sodium halide ionic conductors, an aspect not well defined in the current …
framework for sodium halide ionic conductors, an aspect not well defined in the current …
Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li7Zn0.5SiS6
BT Leube, CM Collins, LM Daniels, BB Duff… - Chemistry of …, 2022 - ACS Publications
A tetragonal argyrodite with> 7 mobile cations, Li7Zn0. 5SiS6, is experimentally realized for
the first time through solid state synthesis and exploration of the Li–Zn–Si–S phase diagram …
the first time through solid state synthesis and exploration of the Li–Zn–Si–S phase diagram …
DFT Modelling of Li6SiO4Cl2 Electrolyte Material for Li-Ion Batteries
N Kuganathan - Batteries, 2022 - mdpi.com
There is significant interest in finding a promising lithium-containing oxide that can act as a
solid electrolyte in a rechargeable lithium-ion battery. Li6SiO4Cl2 is a candidate electrolyte …
solid electrolyte in a rechargeable lithium-ion battery. Li6SiO4Cl2 is a candidate electrolyte …
Statistically derived proxy potentials accelerate geometry optimization of crystal structures
The crystal structures of known materials contain the information about the interatomic
interactions that produced these stable compounds. Similar to the use of reported protein …
interactions that produced these stable compounds. Similar to the use of reported protein …
Li diffusion in oxygen–chlorine mixed anion borosilicate glasses using a machine-learning simulation
S Urata, N Kayaba - The Journal of Chemical Physics, 2024 - pubs.aip.org
Lithium-ion conducting borate glasses are suitable for solid-state batteries as an interfacial
material between a crystalline electrolyte and an electrode, thanks to their superior …
material between a crystalline electrolyte and an electrode, thanks to their superior …
Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li6+xP1–xSixO5Cl
Argyrodite is a key structure type for ion-transporting materials. Oxide argyrodites are largely
unexplored despite sulfide argyrodites being a leading family of solid-state lithium-ion …
unexplored despite sulfide argyrodites being a leading family of solid-state lithium-ion …
Aliovalent doping response and impact on ionic conductivity in the antiperovskite solid electrolyte Li3OCl
Aliovalent doping of solid electrolytes with the intention of increase the concentration of
charge carrying mobile defects is a common strategy for enhancing their ionic conductivities …
charge carrying mobile defects is a common strategy for enhancing their ionic conductivities …