Application of small semimetal clusters towards electronic hybrid materials

IRTG 2022 "ATUMS" - Project 4.

Project 4. Application of small semimetal clusters towards electronic hybrid materials

TUM: Fässler
UofA: Veinot, Buriak
Students: Christoph Wallach, Anton Fischbacher, Dominik Dankert

Abstract:

Nanoparticle surface functionalization with electronically active species has a deep impact on their physical and chemical properties. However, clusters that are attached to silicon nanocrystals have been little studied so far. We aim to develop synthesis routes for the attachment of silicon and germanium clusters on silicon surfaces and nanoparticles. Secondary functionalization using main group metallocene cations and similar organometallic compounds will also be evaluated. A further point of interest, besides silicon nanocrystals, is the functionalization of 2D materials like gemanene, silicene and their derivatives. The resulting composite materials will allow for the investigation of the interaction of small homoatomic clusters of semimetals with SiNCs as well as with silicon surfaces and other semiconductors in the view of possible charge transfer properties between the entities.

Fig. 1. Cluster molecules 1 and 2 with functional groups. Synthesis protocol for the attachment of clusters to a silicon nano-particle.

Fig. 2. Synthetic protocol for the attachment of clusters to a silicon surface.

In another part of this project, we aim to combine tetrel clusters with metal-oxide tetrahedras in the same crystal structure. By solid state reactions of Zintl-phases and metal oxides we synthesize a new class of inorganic hybrid compounds (double salts) which show structurally intact 9-atomic tetrel clusters next to metal-oxide tetrahedras. According to DFT calculations, those compounds exhibit band gaps in the visible light region. The broad variability of the two building blocks together with the chosen synthetic approach allows for an easy exchange of the starting compounds resulting in tunable properties.