The valence band is principally oxygen in character whereas the conduction band is mainly made up of B-atom orbitals. The bandgap for STO is 3.2 eV, and for LAO is 5.6 eV.

Interaction of molecular oxygen with semiconducting oxide surfaces plays a key role in many technologies. The topic is difficult to approach both by experiment and in theory, mainly due to multiple ...

We report the preparation, crystallization, and solid-state characterization of the first two members of a new family of spiro-bis(1,9-disubstituted phenalenyl)boron neutral radicals based solely on ...

An effective Hamiltonian mixed molecular orbital and valence bond (EH-MOVB) method is described to obtain accurate potential energy surfaces for chemical reactions. Building upon previous results on ...