Searching for novel photocatalysts is one of the most important topic in photocatalytic fields. In the present work, we propose a feasible approach to improve the photocatalytic activities of 2D bilayers through surface decoration, i.e. hydrogenation, halogenation, and hydroxylation. Our investigations demonstrate that after surface modification, the optical adsorption expands into the visible ...

The Bernal (ABA)-stacked graphene trilayer is presumed to be thermodynamically more stable than the rhombohedral (ABC) counterpart. However, the thermal transformation from ABC to ABA domains does not occur at a temperature lower than 1,000 °C. Here we report that ABC-stacked trilayers are transformed to ABA-stacked layers after an organic molecule triazine is evaporated onto graphene surfaces ...

In many problems in molecular and solid state structures one seeks to determine the energy-minimizing decoration of sites with different atom types. In other problems, one is interested in finding a decoration with a target physical property (e.g. alloy band gap) within a certain range. In both cases, the sheer size of the configurational space can be horrendous. We present two approaches which...

Large subsets of natural languages can be described using context-free grammars extended with some kind of parameter mechanism, e.g. aax grammars, attribute grammars, and deenite clause grammars. This paper deals with aax grammars over a nite lattice (AGFLs). The parameters in AGFLs are called aaxes. AGFLs are a simple formalism but have still been proved powerful enough for the description of ...

Vapor phase growth of gold, nickel and titanium metal nanoparticles on multiwall carbon nanotube (MWCNT) buckypaper by sputtering was investigated. The size and distribution of nanoparticles was dependent on the intrinsic binding energy of the metal elements, but could be altered to mimic that of metals with different binding energies by in situ modification of the MWCNT surfaces by energetic m...