In the second funding period we plan to contribute with first-principles calculations of CuI surfaces and heterostructures involving CuI. Our investigations will be based on previous and new results of the involved experimental projects, as well as the theoretical project P04 which mainly focused on bulk CuI so far. In particular, we will study the structural, electronic, and transport properties of clean and contaminated CuI surfaces, as well as of various heterostructures between differently oriented CuI grains, CuI/metal and CuI/semiconductor interfaces. We will accompany the experimental groups in their search for working devices based on CuI.
DFG Programme
Research Units
