1The atomic structure and physical properties of few-layered 111 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides are studied using electronic band structure calculations. It was shown that energy stability linear increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 111 layers. All theoretical results were compared with available experimental data.

The reaction paths for formation and isomerization of a set of silica SimOn (m = 2,3, n = 1−5) nanoclusters have been investigated using second-order pertubation theory (MP2) with the 6-31G(d) basis set. The MP2/ 6-31G(d) calculations have predicted singlet ground states for all clusters excluding Si3O2. The total energies of the most important points on the potential energy surfaces (PES) have been determined using the completely renormalized (CR) singles and doubles coupled cluster method including perturbative triples, CR-CCSD(T) with the cc-pVTZ basis set. Although transition states have been located for many isomerization reactions, only for Si3O3 and Si3O4 have some transition states been found for the formation of a cluster from the separated reactants. In all other cases, the process of formation of SimOnclusters appears to proceed without potential energy barriers. Disciplines Chemistry CommentsReprinted (adapted) The reaction paths for formation and isomerization of a set of silica Si m O n (m ) 2,3, n ) 1-5) nanoclusters have been investigated using second-order pertubation theory (MP2) with the 6-31G(d) basis set. The MP2/ 6-31G(d) calculations have predicted singlet ground states for all clusters excluding Si 3 O 2 . The total energies of the most important points on the potential energy surfaces (PES) have been determined using the completely renormalized (CR) singles and doubles coupled cluster method including perturbative triples, CR-CCSD(T) with the cc-pVTZ basis set. Although transition states have been located for many isomerization reactions, only for Si 3 O 3 and Si 3 O 4 have some transition states been found for the formation of a cluster from the separated reactants. In all other cases, the process of formation of Si m O n clusters appears to proceed without potential energy barriers.

Co-ITO granular magnetoresistance films fabricated by precipitation of magnetic nanoparticles from amorphous oxide J.A nanometer-scale hybrid film of Co particle/Co-C 60 compound was prepared by alternate deposition of Co and C 60 under UHV condition. All of Raman spectra, magnetization curves, and tunnel conductivity concluded that the hybrid system has a granular structure consisting of Co nanoparticles embedded in a Co-C 60 compound matrix. The magnetoresistance ratio of 26% was obtained at 2 K and 10 kOe for the electron tunneling across the Co-C 60 compound barrier. In addition, anomalously large bias voltage dependence was found in the magnetotransport properties.