01. 03. 2024

Congratulations to Dr. Štěpán Marek!

Congratulations to Dr. Štěpán Marek!

Dr. Štěpán Marek

Congratulations to Štěpán Marek, Ph.D. on a successful doctoral defense! We wish him much success in his postdoctoral position at the University of Regensburg!

Stepan Marek's Ph.D. research focused on the intricate dynamics of charged excitations in molecular junctions, revealing the limitations of the GW approximation when simulating molecule-metal interfaces with finite clusters. Considering the molecular junctions of ferrocene molecules to gold electrodes, he demonstrated the importance of hybridization at the metal/organometallic interface for resonant transport.

Additionally, Š. Marek explored the mechanical effects within molecular junctions, such as molecule rotation in response to electric currents, emphasizing the impact of electronic structure peculiarities on observable properties. His work highlights the critical aspects of achieving high-efficiency, low-power molecular electronic devices and the nuanced interplay between mechanical and electronic behaviors in molecular junctions.



Resonant transport in a highly conducting single molecular junction via metal-metal covalent bond,
Biswajit Pabi, Štepán Marek, Adwitiya Pal, Puja Kumari, Soumya Jyoti Ray, Arunabha Thakur, Richard Korytár and Atindra Nath Pal

Nanoscale15, 12995-13008 (2023)


Widening of the fundamental gap in cluster GW for metal–molecular interfaces,
Štěpán Marek and Richard Korytár

Phys. Chem. Chem. Phys. 26, 2127-2133 (2024)