L. T. C. Edward Teague

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We present a conceptually simple frontier orbital description of an ideal Si(100) surface by extending the standard orbital description for a single Si dimer unit across the surface Brillouin zone. Density functional theory calculations are used to order the predicted frontier wave functions in terms of energy. When applied to the p(2 x 1) and c(4 x 2)(More)
A war game can be defined as a realistic representation of inputs and outcomes in line with real world situations in a military environment. The Center for Army Analysis runs a war game simulation in order to gain insights and analyze counterinsurgency operations for higher level military commanders. The war gaming process is designed to develop a(More)
The efficient self-assembly and functional characterization of arrays containing multiple types of chromophores will provide a basis for the design and applications of functional photonic materials that are unobtainable using only one type of molecule. The design, synthesis, and characterization of supramolecular systems bearing two different types of(More)
We present a study that maps out chemical bond formation between a Pt-inked probe and a single 1,3-cyclohexadiene (1,3-CHD) molecule on Si(100). By separating the mechanical and electronic contributions to the current during the approach to contact, we show that there are significant forces between the probe and the C=C of the molecule and we track the(More)
Contact formation dynamics and electronic perturbations arising from the interaction of a metallic probe and a single molecule (1,3 cyclohexadiene) bound on the Si (100) surface are examined using a series of plane wave, density functional theory calculations. The approach of the probe induces a relaxation of the molecule that ultimately leads to the(More)
We consider the reaction of 1,3-cyclohexadiene (1,3-CHD) on Si(100) and show that the observed reactivity and stereoselectivity cannot be explained on the basis of thermodynamics. We postulate the existence of secondary orbital interactions (SOIs) and introduce a simple algorithm that examines all possible secondary interactions between the frontier(More)
A significant challenge exists in probing the transport behavior of chemically modified single-walled carbon nanotubes (SWNTs). Thin films of SWNTs offer one facile approach to integration of these materials into electronics and sensing applications. Data on bulk resistivities of ‘bucky paper’ films created from HiPco SWNTs that were initially ozonized and(More)
The use of organic materials presents a tremendous opportunity to significantly impact the functionality and pervasiveness of large-area electronics. Commercialization of this technology requires reduction in manufacturing costs by exploiting inexpensive low-temperature deposition and patterning techniques, which typically lead to lower device performance.(More)
Precision current measurements are recorded at 5 K during the approach and contact between a Pt-inked probe and the carbon-carbon double-bond region of an isolated 1,3-cyclohexadiene molecule chemisorbed on a Si(100) surface. Scanning tunneling spectroscopic data reveal systematic features in the current at specific probe-molecule separations. Aided by(More)
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