We investigate the electronic response of single-walled carbon nanotubes (SWCNTs) and a
carbon nanobelt (CNB) to N-linked and O-linked SARS-CoV-2 spike glycoproteins, using ab …

Tripentaphenes are 2D nanocarbon lattices conceptually obtained from the assembly of
acepentalene units. In this work, density functional theory is used to investigate their …

Using density functional theory-based calculations, we study the stability, geometric, and
electronic properties of ternary C2As6 (1–x) P6 x monolayers in a buckled honeycomb …

Motivated by the recent synthesis of super-heptazethrene (S7ZTH) quantum dots, we use
theoretical calculations to propose a set of nanoribbons with nontrivial edge structures …

Structural and selected Raman features of pristine single-walled carbon nanotubes
(SWCTNs) with diameters from 0.4 to 1.2 nm and total lengths up to 2.15 nm were studied …

The objective of this article is to introduce a new means of hauling the anticancer drug, 5-
Fluorouracil (5-FU). To this end, we investigate the electronic properties of the combination …

We present a first principles calculation on the electronic structure and optical properties of
ultrasmall‐diameter (2, 2) boron nitride, silicon carbide, and carbon nanotubes (BNNT …

We report on a universal band gap modulation by radial deformation found for
semiconductor single-walled carbon nanotubes (SWNTs). The plausible radial deformation …

Recently, Lagos et al [Nat. Nanotechnol. 4, 149 (2009)] reported the discovery of the
smallest possible silver square cross-section nanotube. A natural question is whether similar …

We study and compare the geometric and electronic structures of sub-nanometer sized
single walled nanotubes (NT) made of carbon (SWCNT) and gallium phosphide …