Graphene derivatives containing covalently bound halogens (graphene halides) represent
promising two-dimensional systems having interesting physical and chemical properties …

Structural symmetry breaking in two-dimensional materials can lead to superior physical
properties and introduce an additional degree of piezoelectricity. In the present paper, we …

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 …

The conversion of multilayer graphenes into sp3-bonded carbon films on metal surfaces
(through hydrogenation or fluorination of the outer surface of the top graphene layer) is …

Chemical functionalization is one of the most promising routes to manipulate the electronic
properties of graphene. Through single-sided hydrogenation on graphene, quantized …

Functionalized two-dimensional materials have been widely explored as possible
candidates to adsorb radioactive nuclide due to their large specific surface and tunable …

Thermal desorption dynamics of fluorine adatoms from graphene surface were studied using
the molecular dynamics method. Results show that melting process is a function of the …

We carry out density functional theory calculations to study the adsorption of hydrogen
molecules on Eu‐decorated single‐and double‐sided graphene sheets. It is found that Eu …

The quantum-chemical simulation of the interaction of F− and FHF− ions with the single-
crystal graphene and grain-boundary-containing graphene surface are represented. We …

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 …