Overview

With the miniaturization of electronic components nearing its limits, single-molecule components hold great potential as a solution. Our proposal aims to address a gap in molecular electronics by developing switchable spin-filters. We will begin with an in-depth in silico survey to identify experimentally viable molecules, with a focus on introducing spin-filtering via open-shell metal atoms, chirality, or both. Our initial targets include metalloporphyrins, helicenes, short peptides, and endohedral fullerenes. By combining spin-filtering with field-induced spin crossover and isomerization, we can control the transmission properties of these molecules. We will construct a library of in silico characterized systems and use electronic structure to gain a fundamental understanding of their function. The best compounds will be synthesized and characterized experimentally to guide further experiments and provide feedback for our rational design. Ultimately, we envision applications in data storage and in-memory computing.

University:

Faculty of Chemical Engineering, UCT Prague; Faculty of Science, Charles University

Group:

Lubomír Rulíšek Group, Theoretical Bioinorganic Chemistry

Tutor:

Doc. Mgr. Michal Straka, Ph.D.

Field of study:

Physical Chemistry, Organic & Inorganic chemistry

How to apply:

At the Institute of Organic Chemistry and Biochemistry of the CAS / IOCB Prague, we are looking for talented, independent, and highly motivated PhD students with an MSc. degree or equivalent in life sciences or related fields. We offer exciting new projects in organic and medicinal chemistry, biochemistry, cell biology, molecular and structural biology, and analytical and physical chemistry.

• Online registration deadline: 3 March 2025
• Interview Day: 20 March 2025

Learn more and apply at www.uochb.cz/en/call-for-phd-applications.