Topological dangling bonds with large spin splitting and enhanced spin polarization on the surfaces of Bi2Se3.

We investigate the topological surface state properties at various surface cleaves in the topological insulator Bi2Se3, via first principles calculations and scanning tunneling microscopy/spectroscopy (STM/STS). While the typical surface termination occurs between two quintuple layers, we report the existence of a surface termination within a single quintuple layer where dangling bonds form with giant spin splitting owing to strong spin-orbit coupling. Unlike Rashba split states in a 2D electron gas, these states are constrained by the band topology of the host insulator with topological properties similar to the typical topological surface state, and thereby offer an alternative candidate for spintronics usage.

Ozone oxidation of surface-adsorbed polycyclic aromatic hydrocarbons: role of PAH-surface interaction.

The heterogeneous chemistry of surface-adsorbed polycyclic aromatic hydrocarbons (PAHs) plays key roles in nanoscience, environmental science, and public health. Experimental evidence shows that the substrate can influence the heterogeneous oxidation of surface-bound PAHs, however, a mechanistic understanding of the role of the surface is still lacking. We examine the effects of the PAH-substrate interaction on the oxidation of surface-adsorbed anthracene, pyrene, and benzo[a]pyrene by ozone (O(3)) using density functional theory.

Aggregation behavior and chromonic liquid crystal phase of a dye derived from naphthalenecarboxylic acid.

Polarizing microscopy, X-ray scattering, and absorption spectroscopy are used to investigate the aggregation process and chromonic liquid crystal of the anionic compound Bordeaux dye, a product of the sulfonation of the dibenzimidazole derivative of naphthalenetetracarboxylic acid. Polarizing microscopy reveals that the liquid crystal phase forms at room temperature when the concentration is only about 6 wt%, a value lower than what is found in many aggregating systems. The X-ray results indicate that the aggregation is via columns, with a cross-sectional area about 2.

Graphene oxidation: thickness-dependent etching and strong chemical doping.

Patterned graphene shows substantial potential for applications in future molecular-scale integrated electronics. Environmental effects are a critical issue in a single-layer material where every atom is on the surface. Especially intriguing is the variety of rich chemical interactions shown by molecular oxygen with aromatic molecules.