KSEF R&D Excellence: Device Applications of Transition Metal-Semiconductor Wires

\,Vepropose a novel approach to the fabrication of molecular electronic devices which, if realized, will have important industrial applications.. The theory driven approach involve two main steps: (1) Fully" quantum mechanical molecular dynamics simulations to detennine stable low energy strcuctures of metal-semiconductor nanowires. (2) Quantum conductivity calculations to obtain current-versus voltage (I-V) characteristics. Simulation results can be used as a guide in the experimental investigations to realize these structures. Predicted I-V characteristics can be compared with experimental results once the structures have been made in the laboratory. The main goal to shrink micro-electronics and hence boost computer power - by orders of magnitudes.