Atomic layer deposition on carbon nano tubes

Chemical functionalization of carbon nano tubes is a very hot topic as it is considered now as one of the key step for the fabrication of tube based electronic devices. By nature, carbon nanotubes are chemically quite inert and thus defects are required as seed for the growth of functional layers. In a recent simulation study Anja shows now, how the first steps of aluminum oxide atomic layer deposition can be performed on typical CNT defects . Continue reading

Surface chemistry of copper metal and copper oxide atomic layer deposition

Cu_acac_2

In a recent paper in Physical chemistry chemical Physis we study the mechanisms for atomic layer deposition using the Cu(acac)2 precursor . By first-principles calculations and reactive molecular dynamics simulations we show that Cu(acac)2 chemisorbs on the hollow site of the Cu(110) surface and decomposes easily into a Cu atom and the acac-ligands. Continue reading

Modeling the in situ repair of ULK dielectrics

repair

Ultra low-k dielectrics are one of the key components  which allow for further shrinking of the the interconnect system used in todays semiconductor technology. During manufacturing steps such as trench etching the ULK material is degraded and some repair chemistry is required to restore its k-value. In a recent paper which appeared in Journal of Vacuum Science and technology   Anja now modeled elementary steps of such an in-situ repair approach by using DFT calculations.   Continue reading