Molecular Model for Semiconductor Surfaces Developed
Gaining new insights into the properties and targeted modification of semiconductor surfaces more easily and quickly than before

Semiconductor surfaces can generally be studied only with considerable experimental effort, in an ultra-high vacuum for example. To more easily gain new insights into their properties and the possibilities for targeted modification, scientists at Heidelberg University have developed a molecular model for the so-called “buckled dimer” using synthetic chemistry and computational chemistry methods. This key structural feature of semiconductor surfaces can be studied using established analytical methods in molecular chemistry. The research was led by Prof. Dr. Lutz Greb at the Institute of Inorganic Chemistry.

Semiconductors – materials with unique electrical conductivity – form the basis of modern electronics and can be found, among other places, as chips in every computer or smartphone. While the first semiconductor materials were based on the element germanium, silicon – which is chemically very similar – is primarily used today. Further developing these materials in a targeted manner requires functionalizing their surfaces. The key structural feature that determines the properties and functionalization possibilities of silicon and germanium surfaces is the “buckled dimer”.

With their synthesized model of the “buckled dimer”, the Heidelberg researchers combine surface and solid-state chemistry with molecular chemistry. This now makes it possible to gain new insights into the chemical properties and functionalization of semiconductor surfaces with less experimental effort and more quickly than before. To that end, methods such as NMR spectroscopy and single crystal X-ray diffraction can be used. “The findings resulting from our model can help optimize functionalization strategies for semiconductors. They are therefore significant for the semiconductor technology of the future,” emphasizes Prof. Greb, who heads a research group at the Institute of Inorganic Chemistry.

The German Research Foundation and the European Research Council have funded the research. The research findings were published in the journal “Nature Chemistry”.