Two-dimensional graphene, carbon nanotubes, and graphene nanoribbons represent a
novel class of low dimensional materials that could serve as building blocks for future …

Linear-scaling methods, or methods, have computational and memory requirements which
scale linearly with the number of atoms in the system, N, in contrast to standard approaches …

Various sizes and shapes of Mn 3 O 4 nanocrystals have been prepared in a one-pot
synthesis in extremely dilute solution by soft template self-assembly. To better control size …

We present first-principles calculations of quantum transport in chemically functionalized
metallic carbon nanotubes with lengths reaching the micrometer scale and random …

Single-walled carbon nanotube field-effect transistors (CNFETs) are promising functional
structures in future micro-or nanoelectronic systems and sensor applications. Research on …

We report first-principles transport calculations in chemically functionalized graphene
nanoribbons. The effect of the joint attachment of hydroxyl and hydrogen groups on the …

By means of a multiscale first-principles approach, a description of the local electronic
structure of two-dimensional and narrow phosphorene sheets with various types of …

We study the electron transport in metallic carbon nanotubes (CNTs) with realistic defects of
different types. We focus on large CNTs with many defects in the mesoscopic range. In a …

We study the transport properties of defective single-walled armchair carbon nanotubes
(CNTs) on a mesoscopic length scale. Monovacancies and divancancies are positioned …

We present a first-principles study of the electronic transport properties of micrometer long
semiconducting carbon nanotubes randomly covered with carbene functional groups …