To improve the efficiency of a machinery component, it is necessary to enhance the quality
of lubricants. Lubricants help to reduce the friction and wear between the two surfaces which …

The search for conductive soft matter materials with significant charge mobility under
ambient conditions has been a major priority in organic electronics (OE) research. Alkylated …

The interaction energetics, molecular packing, entanglement network properties, segmental
dynamics, and elastic constants of atactic polystyrene–amorphous silica nanocomposites in …

In this study, the influence of alkyl functional groups on thermal conductivity of graphene
oxide (GO) nanosheets is studied using a reverse non-equilibrium molecular dynamics …

Coarse-grained models of polyaromatic hydrocarbons parametrized by employing the SAFT-
γ Mie approach are presented and assessed by comparison with experimental data and all …

Finite nanographene molecules in the form of discotic mesogens constitute a promising
family of materials for a plethora of applications, primarily focused on organic electronics …

Conformational transitions of graphene can have a strong impact on the overall properties of
graphene-based nanocomposites. Here we present a detailed analysis of the behavior of …

This study concerns atomistic and coarse-grained Molecular Dynamics simulations of
pristine hexabenzocoronene (HBC) molecular crystals. HBC is a symmetric graphene flake …

Περίληψη Σε αυτή την διπλω ατική εργασία ελετάται η κρυσταλλική ορφή του χη ικού είδους
Εξαβενζοκορονένιο (HBC). Εξετάζεται στο πλαίσιο αδροποιη ένης οριακής οντελοποίησης …

In this chapter, a concise introduction to discotic materials is presented, covering a series of
pivotal topics deemed essential for the understanding of the key subjects addressed by this …