Vacuum-Level Shift at Al/LiF/Alq Interfaces: A First-Principles Study.

Work function changes, or vacuum-level shifts (Δ), in Al(001) surfaces by the adsorption of thin layers composed of tris(8-hydroxyquinolinato)aluminum (Alq) and/or LiF are theoretically investigated. First-principles calculations reasonably reproduce experimentally obtained Δ values, enabling us to discuss the underlying mechanism. Dipole moment of Alq and interfacial charge rearrangement (Pauli push-back effect) are the main reasons for Δ at Al(001)-Alq and Al(001)-LiF interfaces, respectively.

Study of Gases Permeation in Necklace-Shaped Dimethylsiloxane Polymers Bearing POSS Cages.

The transport of small gases (H, CO, N, O) through a series of novel membranes based on necklace-shaped inorganic polymers (DMS@POSS), in which a polyhedral oligomeric silsesquioxane (POSS) cage unit and soft chains of oligo-dimethyl siloxane (DMS) were alternately connected, was investigated. The influence of the DMS chain length and crosslinking density of the DMS@POSS on membrane properties were studied. The membranes revealed characteristic structure-property relation towards both glass transition and gases transport.