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Humboldt-Universität zu Berlin - Mathematisch-Naturwissen­schaft­liche Fakultät - SFB 951 - HIOS

A1
Exploring molecular-scale structure formation of HIOS by all-atom molecular dynamics computer simulations
Completed Project

Objectives

This project explores the molecular scale (0.1-10 nm; 0.001-100 ns) structure formation of HIOS by applying (classical) atomistically-resolved molecular dynamics computer simulations of conjugated organic molecules (COMs) on inorganic semiconductor surfaces. The influence of coverage, type, and local polarity of COMs, as well as various surface terminations/defects of the semiconductor surface will be systematically investigated. The results will serve as a guide for structural experiments and ab-initio and mesoscale theories.
 

Principal Investigators


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Joachim Dzubiella

030 / 8062 42902

joachim.dzubiellahelmholtz-berlin.de

 

Doctoral Students


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Karol Palczynski

030 / 8062 42924

karol.palczynskihelmholtz-berlin.de


Institutions:        FHI-Logo        HZB-Logo          Uni Potsdam-Logo          TU Berlin-Logo         HU Berlin-Logo

            IRIS Logo              Funded by:       DFG Logo