A Study of Two Ferrocene-Based Molecular Electronic Devices

Acomputational-simulation study of two ferrocene-based molecular electronic devices was performed as part of a continuing effort to develop a capability for ab initio design of metallocene-based electronic devices in general. In addition to the obvious technological advantage for realization of the potential of molecular electronic devices, such a capability would afford an economic advantage by enabling avoidance of the cost of synthesis of many organic molecules that subsequent testing would show to be unpromising for electronic-device applications.