The nanostructure and spectroscopic properties of Upsalite, a mesoporous magnesium carbonate
Abstract
In this small SNIC project we aim to (1) Finalize calculations on Magnesite (crystalline MgCO3) and melted Magnesite (used as model for amorphous mesoporous magnesium carbonate(MMC). In addition we would like to complement data on Magnesite and MMC with data on MgO, used as a simple model system.
We will compile these results into a first publication on the theoretical structure of Upsalite as well as into at least one combined study including measured and calculated Resonant Inelastic X-ray Scattering (RIXS) spectra of Magnesite and MgO and Density Of States of both solids in order to dissolve the orbital interaction probed by the XAS, XES and RIXS measurements.