Towards Polyoxometalate-Cluster-Based Nano-Electronics

We explore the concept that the incorporation of polyoxometalates (POMs) into complementary metal oxide semiconductor (CMOS) technologies could offer a fundamentally better way to design and engineer new types of data storage devices, due to the enhanced electronic complementarity with SiO2, high redox potentials, and multiple redox states accessible to polyoxometalate clusters. To explore this we constructed a custom‐built simulation domain bridge. Connecting DFT, for the quantum mechanical modelling part, and mesoscopic device modelling, confirms the theoretical basis for the proposed advantages of POMs in non‐volatile molecular memories (NVMM) or flash‐RAM. Polyoxometalate‐based flash memory cell: Nanoscale redox‐active polyoxometalate clusters are discussed as possible components for use in non‐volatile molecular memories. By focusing on the redox properties of Dawson‐type clusters with electronically interesting heteroatoms, the electronic structure is explored from a molecular point of view as well as in a device simulator, which suggests such clusters could be credible components for new types of flash‐RAM incorporating “molecular technology”.