Herein, we report the synthesis of a nitrogen-doped graphene (NGr) interpenetrated 3D Ni-nanocage (Ni-NGr) electrocatalyst by a simple water-in-oil (w/o) emulsion technique for oxidation of water to dioxygen. Correlation of adsorption of NGr and subsequent interpenetration through the specific surface plane of nickel particles as well as the concomitant interaction of N and C with Ni in the nan...

A hollow hybrid Ni-Fe-O nanomaterial (NiFe2O4) is synthesized using a precursor of metal-organic frameworks through a simple and cost-effective method. The unique hollow nanocage structures shorten the length of Li-ion diffusion. The hollow structure offers a sufficient void space, which sufficiently alleviates the mechanical stress caused by volume change. Besides, the hybrid elements allow th...

Standard ab initio and density functional calculations are carried out to determine the structure, stability, and reactivity of B(12)N(12) clusters with hydrogen doping. To lend additional support, conceptual DFT-based reactivity descriptors and the associated electronic structure principles are also used. Related cage aromaticity of this B(12)N(12) and nH(2)@B(12)N(12) are analyzed through the...

In this paper, density functional theory (DFT) study was applied to the absorption of BMSF-BENZ ((4-bromo-7-methoxy-1-(2-methoxyethyl)-5-{[3 (methylsulfonyl)phenyl]methyl)}-2-[4-(propane-2)) yl)phenyl]-1H-1,3-benzothiazole) used for treatment Osteoporosis, on surfaces two types nanocages Zn12O12 and Al12P12. The results showed that interaction with highly exothermic, indicating high chemical ad...

Tumor Reduction In article 2202932 by María Sancho-Albero, Luisa De Cola, and co-workers, a prodrug, based on Pt(IV) complex, encapsulated in nanocage, is activated upon the destruction of carrier exerts antitumoral activity hard-to-treat mesothelioma cancer.

Protein nanocages play crucial roles in sub-cellular compartmentalization and spatial control all domains of life have been used as biomolecular tools for applications biocatalysis, drug delivery, bionanotechnology. The ability to their assembly state under physiological conditions would further expand practical utility. To gain such control, we introduced a peptide capable triggering conformat...

For two important metal oxides (MO, M=Mg, Zn) we predict, via accurate electronic structure calculations, that new low-density nanoporous crystalline phases may be accessible via the coalescence of nanocluster building blocks. Specifically, we consider the assembly of cagelike (MO)_{12} clusters exhibiting particularly high gas phase stability, leading to new polymorphs with energetic stabiliti...

Nonlinear optical materials have gained immense scientific interest in the recent times owing to their vast applications various fields. Continuous strides are made design and synthesize with large nonlinear response high thermodynamic stability. In this regard, we present here bi-alkali metal doping on boron phosphide nanocage as a new strategy thermodynamically stable response. The geometric,...