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Interface energetics and level alignment at covalent metal-molecule junctions: pi-conjugated thiols on gold
(Georgia Institute of Technology, 2006-05)
The energetics at the interfaces between metal and monolayers of covalently bound organic molecules is studied theoretically. Despite the molecules under consideration displaying very different frontier orbital energies, ...
A theoretical view on self-assembled monolayers in organic electronic devices
(Georgia Institute of Technology, 2008-04)
Self-assembled monolayers (SAMs) of covalently bound organic molecules are rapidly becoming an integral part of organic electronic devices. There, SAMs are employed to tune the work function of the inorganic electrodes in ...