The adsorption attributes of methyl naphthalene and naphthalene molecules on P-
Germanane sheets are explored based on the density functional theory method. The novel P …

Thermoelectric (TE) materials have the exceptional ability to directly convert waste heat into
electricity and theoretical studies-based guidance is an effective way to investigate high …

Investigation of the interactions between nanomaterials and molecules at the molecular
level is a crucial factor in the design of novel materials for nanosensor applications. In this …

Quantum dots are interesting systems because they can be tuned electronically. We used
graphene quantum dots (GQDs) known as the formula C 24 H 12 as a model for studying the …

This research underscored the comprehension of the electronic properties of the various
diameters for zigzag and armchair single-wall boron nitride (ZSWBNNTs and ASWBNNTs) …

Using density functional theory (DFT), we investigate the structural, stability, and electronic
properties of boron nitride (BN) dimers cooped graphene quantum dots (GQDs). A molecule …

Among the low-dimensional carbon-based systems, bilayer graphene garners great interest.
In contrast to monolayer graphene, infinite bilayer graphene displays a gap in the electronic …

Tuning the electronic properties of engineered graphene quantum dots (GQDs) is used to
produce nanoelectronic devices, which are important in many applications. Chemical …

The electronic properties of the T-Greaphene nanosheet (T-GNS) are developed by using
different concentrations of the Al and Si impurities. The results demonstrated the electronic …

This investigation outlines a comprehensive analysis of the electronic and optical
characteristics of difluoro and trifluoro bi-cyclohexane-based dimers in different …