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A series of carbon allotropes with novel optoelectronic and rich topological properties is predicted by systematic first-principles calculations. These fascinating carbon allotropes can be derived by inserting acetylenic linkages…
We experimentally investigated the properties of graphite layers produced by an easy and non-conventional method of repeatedly rubbing conventional random stacked graphite bulk against insulating and semiconductor substrates. The patterned…
Micrometer width and nanometer thick wires with different shapes were produced $\approx 3~\upmu$m below the surface of a diamond crystal using a microbeam of He$^+$ ions with 1.8~MeV energy. Initial samples are amorphous and after annealing…
Graphene, a flat monolayer of carbon atoms tightly packed into a two-dimensional honeycomb lattice (a one atom thick graphite sheet), is presently the hottest material in nanoscience and nanotechnology. Its challenging hypothetical…
Silicene, a monolayer of silicon atoms tightly packed into a two-dimensional honeycomb lattice, is the challenging hypothetical reflection in the silicon realm of graphene, a one-atom thick graphite sheet, presently the hottest material in…
Studies aimed at designing new allotropic forms of carbon have received much attention. Recently, a new 2D graphene-like allotrope named Pentahexoctite was theoretically proposed. Pentahexoctite has a metallic signature, and its structure…
The discovery of flat-bands in magic-angle twisted bilayer graphene has underscored the potential of moire engineering for correlated states, but such phases are notoriously difficult to realize and highly fragile against perturbations.…
Engineering nanostructures from the bottom up enables the creation of carefully engineered complex structures that are not accessible via top down fabrication techniques, in particular, complex periodic structures for applications in…
This Chapter deals with single layers of carbon (graphene) and hexagonal boron nitride on transition metal surfaces. The transition metal substrates take the role of the support and allow due to their catalytic activity the growth of…
Based on first-principles calculation we predict two new thermodynamically stable layered-phases of silicon, named as silicites, which exhibit strong directionality in the electronic and structural properties. As compared to silicon…
Graph neural networks (GNNs) have emerged as a powerful tool for modeling graph-structured data. However, existing GNNs often struggle with heterophilic graphs, where connected nodes tend to have dissimilar features or labels. While…
Atomically thin crystals have recently been the focus of attention in particular after the synthesis of graphene, a monolayer hexagonal crystal structure of carbon. In this novel material class the chemically derived graphenes have…
We present numerical studies of quantum walks on \C60 and related graphene structures, to investigate their transport properties. Also known as a \emph{honeycomb lattice}, the lattice formed by carbon atoms in the graphene phase can be…
Single layers of carbon dubbed "graphenes", from which graphite is built, have attracted broad interest in the scientific community because of recent exciting experimental results. Graphene is interesting from a fundamental research…
The assembly of colloidal cubic diamond is a challenging process since the shape and interaction parameters and the thermodynamic conditions where this structure is stable are elusive. The simultaneous use of shape-anisotropic particles and…
The hybrid nanostructures of nitrogen doped carbon materials and nonprecious transition metals are among the most promising electrocatalysts to replace noble metal catalysts for renewable energy applications. However, the fundamental…
This chapter introduces the thermal conductivity of a novel one-dimensional carbon nanostructure - diamond nanothread. It starts by introducing the family of the diamond nanothread as acquired from density functional theory calculations and…
Graphene is a one-atom-thick sheet of carbon atoms arranged in a honeycomb lattice. It was first obtained by exfoliation of graphite in 2004 and has since evolved into a thriving research topic because of its attractive mechanical, thermal,…
As a two-dimensional material, graphene can be naturally obtained via epitaxial growth on a suitable substrate. Growth condition optimization usually requires an atomistic level understanding of the growth mechanism. In this article, we…
Here we present an overview of recent fundamental studies on the nature of the interaction between individual metal atoms and metal clusters and the conjugated surfaces of graphene and carbon nanotube with a particular focus on the…