University of Cambridge > Talks.cam > Electronic Structure Discussion Group > Combined first principles and experimental NMR of paramagnetic materials - application to LiTi(x)Mn(2-x)O4 cathode material

Combined first principles and experimental NMR of paramagnetic materials - application to LiTi(x)Mn(2-x)O4 cathode material

Add to your list(s) Download to your calendar using vCal

If you have a question about this talk, please contact Joseph Nelson.

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for studying properties of paramagnetic solids at the molecular level. However, the interpretation of paramagnetic NMR spectra is often very challenging as a result of the interactions of unpaired electrons with the nuclear spins of interest. In this study we present a comprehensive computational method to rationalise the NMR spectra of the LiTi(x)Mn(2-x)O4 series from first principles, enabling a detailed understanding of the electronic and structural properties of the system.

This talk is part of the Electronic Structure Discussion Group series.

Tell a friend about this talk:

This talk is included in these lists:

Note that ex-directory lists are not shown.

 

© 2006-2024 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity