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Nanoporous graphene quantum dots constructed from nanoribbon superlattices with controllable pore morphology and size for wastewater treatment
The pollution of water bodies with toxic components possesses a dangerous impact on
human health and the environment. Therefore, it is vital to find efficient materials for water …
human health and the environment. Therefore, it is vital to find efficient materials for water …
[HTML][HTML] Electronic and magnetic properties of graphene quantum dots doped with alkali metals
The electronic and magnetic properties of armchair-hexagonal (AHEX) and zigzag-
triangular (ZTRI) graphene quantum dots doped with alkali metals are investigated using …
triangular (ZTRI) graphene quantum dots doped with alkali metals are investigated using …
Anomalous magnetic and transport properties of laterally connected graphene quantum dots
We investigate the magnetic, electronic, and transport properties of chemically modified
Clar's goblets and laterally connected graphene quantum dots (GQDs) using density …
Clar's goblets and laterally connected graphene quantum dots (GQDs) using density …
Two-dimensional Si2BN nanoflakes for efficient removal of heavy metals
First principles investigations are employed to unveil the superior adsorption properties of
Si2BN. The interactive Si atoms provide strong interactions with heavy metals that enhance …
Si2BN. The interactive Si atoms provide strong interactions with heavy metals that enhance …
Tunable electro-optical properties of doped chiral graphene nanoribbons
The electro-optical properties of doped chiral graphene nanoribbons are investigated using
first principles calculations. O-atoms on edges enhance edge reconstruction with strong C …
first principles calculations. O-atoms on edges enhance edge reconstruction with strong C …
Exploring the potential of chemically modified graphyne nanodots as an efficient adsorbent and sensitive detector of environmental contaminants: a first principles …
In this study, we investigated the reactivity of γ-graphyne (Gp) and its derivatives, Gp-CH3,
Gp-COOH, Gp-CN, Gp-NO2, and Gp-SOH, for the removal of toxic heavy metal ions (Hg+ 2 …
Gp-COOH, Gp-CN, Gp-NO2, and Gp-SOH, for the removal of toxic heavy metal ions (Hg+ 2 …
[HTML][HTML] Electronic and optical properties of finite gallium sulfide nano ribbons: A first-principles study
The electronic and optical properties of finite GaS nanoribbons are investigated using
density functional theory calculations. The effect of size, edge termination, and chemical …
density functional theory calculations. The effect of size, edge termination, and chemical …
Edge functionalization of finite graphene nanoribbon superlattices
The effect of chemical functionalization on the electronic properties of graphene nanoribbon
superlattices with zigzag and armchair terminations is investigated using the density …
superlattices with zigzag and armchair terminations is investigated using the density …
Electronic, optical, and catalytic properties of finite antimonene nanoribbons: First principles study
Finite antimonene nanoribbons are investigated using density functional theory calculations.
Attaching chemical groups, like COOH and OH, to the edges has been successfully attained …
Attaching chemical groups, like COOH and OH, to the edges has been successfully attained …
2N+ 4-rule and an atlas of bulk optical resonances of zigzag graphene nanoribbons
Abstract Development of on-chip integrated carbon-based optoelectronic nanocircuits
requires fast and non-invasive structural characterization of their building blocks. Recent …
requires fast and non-invasive structural characterization of their building blocks. Recent …