Discovery Projects - Grant ID: DP210103208

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP210103208

Funding Status
Active

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Funded Activity Summary

Extracting the 4f-wavefunction of rare earth magnets from X-ray diffraction. The project aims to develop a new combined computational quantum chemistry and experimental X-ray diffraction protocol to extract the 4f electron wavefunction in lanthanide magnetic materials. Results will be significant for the design and screening of efficient molecule-based magnets. Expected outcomes include detailed understanding of the influence of the chemical and crystal environment on single-molecule magnet properties, and benchmarking and development of new computational methods. Significant benefits include focused strategies to design and identify commercially viable lanthanide-based molecular memories, and advance our understanding of the quantum mechanics of strongly correlated 4f electron systems.

Funded Activity Details

Start Date: 09-03-2021

End Date: 31-10-2022

Funding Scheme: Discovery Projects

Funding Amount: $330,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Quantum Chemistry | Theoretical and Computational Chemistry | F-Block Chemistry

ANZSRC Socio-Economic Objective (SEO)

Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Physical Sciences |

Other Keywords

Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Physical Sciences | F-Block Chemistry | Quantum Chemistry | Theoretical and Computational Chemistry

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