Microscale mechanical property variations of Al-substituted LLZO: insights from compression testing and molecular dynamics simulations
- 9 August 2024
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry A
- Vol. 12 (37) , 24886-24895
Abstract
An organophosphine-controlled diversity-oriented synthesis of chromone inden-1-one-fused cyclopentadienylides and C-acylated 2-((chromone-3-yl)methylene)-indandiones is reported. Key attributes of the methodology are the in situ generation of an allylic P-ylide and subsequent regio- and chemoselective intramolecular cyclization reactions that preferentially result in the aforementioned chromone adducts.Keywords
Funding Information
- National Science Foundation (2152561)
- National Science Foundation (2152562)
- U.S. Department of Energy (DE-AC02-05CH11231)
This publication has 47 references indexed in Scilit:
- LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scalesComputer Physics Communications, 2022
- Solid‐State Li–Metal Batteries: Challenges and Horizons of Oxide and Sulfide Solid Electrolytes and Their InterfacesAdvanced Energy Materials, 2020
- Micropillar compression investigation of size effect on microscale strength and failure mechanism of Calcium-Silicate-Hydrates (C-S-H) in cement pasteCement and Concrete Research, 2019
- Intergranular Li metal propagation through polycrystalline Li6.25Al0.25La3Zr2O12 ceramic electrolyteElectrochimica Acta, 2017
- Size and plasticity effects in zirconia micropillars compressionActa Materialia, 2016
- The effects of defects on the uniaxial compressive strength and failure of an advanced ceramicActa Materialia, 2016
- Room temperature elastic moduli and Vickers hardness of hot-pressed LLZO cubic garnetJournal of Materials Science, 2012
- Effects of specimen geometry and base material on the mechanical behavior of focused-ion-beam-fabricated metallic-glass micropillarsActa Materialia, 2009
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setComputational Materials Science, 1996
- Failure modes of Na-beta aluminaSolid State Ionics, 1981