Carbon nanotubes continue to surprise scientists with their novel properties. Recently we have discovered many intimate relationships between structural deformation and the properties of single-walled nanotubes (SWNT), ...

Attractive interaction between two clean diamond(001) slabs turns repulsive upon the hydrogenation of surfaces. Even under high loading forces, this repulsive interaction prevents the sliding surfaces from being closer to ...

Carbon nanotubes, in which the two-dimensional hexagonal lattice of graphene is transformed into a quasi-one-dimensional lattice by conserving the local bond arrangement, provide several structural parameters for engineering ...

Quantum conductance in narrow channels has been well understood by using the two-dimensional electron gas, a model system which has been realized in semiconductor heterojunctions. An essential property of this electron ...

Group-VA elements P, As, Sb, and Bi can construct free-standing, stable zigzag monatomic chain structures, which show unusual properties. They are normally semimetals with bands crossing at the Fermi level, but a very ...

We investigated the rotational and translational dynamics of hydrogen-passivated, black phosphorene and blue phosphorene nanoflakes of diverse size and geometry anchored to graphene, black phosphorene, blue phosphorene, ...

Despite its high solar absorbance and surface coating abilities, pristine graphene as a semimetal is not promising for photovoltaic applications. In this study, we predict that Glycine (Gly), an amino acid, which is ...

Further, to recently introduced metallic NaSi6 and Si6 clathrate structures, we show that not only Si but also other group-IV elements, such as C, Ge, and Sn, can form stable and metallic clathrate structures with open ...

We report the prediction of a two-dimensional (2D) allotrope common to group-IV and group-V elements and III-V compounds, which consist of two nonplanar atomic layers connected by vertical bonds and form deformed octagon, ...

Soon after the synthesis of two-dimensional (2D) ultrathin black phosphorus and fabrication of field effect transistors thereof, theoretical studies have predicted that other group-VA elements (or pnictogens), N, As, Sb, ...