Endohedrally doped cage clusters
J Zhao, Q Du, S Zhou, V Kumar - Chemical Reviews, 2020 - ACS Publications
The discovery of carbon fullerene cages and their solids opened a new avenue to build
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …
[BUCH][B] Classic and advanced ceramics: from fundamentals to applications
RB Heimann - 2010 - books.google.com
Based on the author's lectures to graduate students of geosciences, physics, chemistry and
materials science, this didactic handbook covers basic aspects of ceramics such as …
materials science, this didactic handbook covers basic aspects of ceramics such as …
A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster
In this work, the interaction of an aspirin (AS) molecule with the external surface of a boron
nitride fullerene-like nanocage (B 12 N 12) is studied by means of density functional theory …
nitride fullerene-like nanocage (B 12 N 12) is studied by means of density functional theory …
Nitric oxide adsorption on non-stoichiometric boron nitride fullerene: structural stability, physicochemistry and drug delivery perspectives
The structural stability and physicochemical properties of the N-rich BN fullerene, B 24 N 36,
have been analyzed by means of the density functional theory at the level of the generalized …
have been analyzed by means of the density functional theory at the level of the generalized …
Do** of the first row transition metals onto B12N12 nanocage: A DFT study
A comparative study of do** of the first row transition metals (from Sc to Zn) onto all
available adsorption sites of the exterior surface of B 12 N 12 nanocage has been performed …
available adsorption sites of the exterior surface of B 12 N 12 nanocage has been performed …
Application of optimization algorithms in clusters
R Srivastava - Frontiers in Chemistry, 2021 - frontiersin.org
The structural characterization of clusters or nanoparticles is essential to rationalize their
size and composition-dependent properties. As experiments alone could not provide …
size and composition-dependent properties. As experiments alone could not provide …
Electronic and magnetic properties of metal-doped BN sheet: A first-principles study
YG Zhou, J ** results unexpectedly in exohedral complexes
R Li, Y Wang - Nature Communications, 2019 - nature.com
Despite their early experimental production and observation, the unambiguous molecular
structures of metal-containing boron nitride (BN) nanocages still remain mysterious. It has …
structures of metal-containing boron nitride (BN) nanocages still remain mysterious. It has …