Experimental-quantum chemical characterization methods for ionic metal hydrides

Project Details


Currently, metal hydrides and especially mixed anionic hydride compounds are attracting a lot of attention. They are being considered as hydrogen storage materials and host lattices for luminescent centers and subsequent laser applications.

In our collaborative work we are aiming at identifying new mixed anionic compounds and using computational methods in order to support our experimental search and to predict stabilities of possible candidates.

The project builds upon the complementary cooperative research work of the Kunkel and Karttunen groups. Kunkel group possesses extensive experience in the synthesis and structural and spectroscopic characterization of hydrides and mixed anionic hydrides and the Karttunen group vast experience in materials modelling and computational spectroscopy using high-level computational approaches
Short titleExperimental-quantum chemical
Effective start/end date01/02/201931/12/2021