Aromaticity, 1 one of the most important concepts in chemistry, is confined not only to planar
twodimensional (2D) molecules but also can be extended to diverse structures of other …

Large-scale synthesis of carbon nitride nanotubes was carried out by a catalytic-assembly
solvothermal route involving the reaction of cyanuric chloride (C3N3Cl3) with sodium using …

We present a systematic study on structural, electronic, optical properties of C30 fullerene
and its six doped counterparts, C10X10Y10 (where, X= B, Al and Y= N, P, As) based on …

Carbon nanotubes with different nitrogen contents were produced by the arc-discharge
technique. The samples were first submitted to a concentration process (purification) and …

First-principles calculations were utilized to study the formation mechanisms of the fullerene-
like structure in carbon nitride compounds in the context of aligned incorporation of CN …

Nitrogen-doped single-walled carbon nanohorns (N-SWCNHs) have been synthesized by a
flowing nitrogen assisted arc discharge method at atmospheric pressure in a tubular reactor …

Our first-principles calculations demonstrate that C 60-n B n and C 60-m N m can be
engineered as the acceptors and donors, respectively, needed for molecular electronics by …

A systematic survey of the complete set of isomers of fullerenes C38, C40, C42, C44, C46,
C48, C50 and azafullerene C44N6 is reported. All isomeric structures were optimized using …

First-principles calculations were utilized to study the formation mechanisms and structural
features of fullerene-like carbon nitride (FL CNx). Cohesive energy comparisons reveal the …

To reveal new structure–property relationships in the nonlinear optical (NLO) properties of
fullerenes that are associated with their open‐shell character, we investigated the interplay …