Explaining the magnetic moment reduction of Fullerene encapsulated Gadolinium through a theoretical model

We propose a Theoretical model accounting for the recently observed reduced magnetic moment of Gadolinium in fullerenes. While this reduction has been observed also for other trivalent rare-hearth atoms (Dy3+, Er3+, Ho3+) in fullerenes and can be ascribed to crystal field effects, the explanation of this phenomena for Gd3+ is not straightforward due to the sphericity of its ground state (S=7/2, L=0). In our model the momentum lowering is the result of a subtle interplay between hybridisation and spin-orbit interaction

Electronic transport, structure, and energetics of endohedral Gd@C82 metallofullerenes

Electronic structure and transport properties of the fullerene C$_{82}$ and the metallofullerene Gd@C$_{82}$ are investigated with density functional theory and the Landauer-Buttiker formalism. The ground state structure of Gd@C$_{82}$ is found to have the Gd atom below the C-C bond on the C$_2$ molecular axis of C$_{82}$. Insertion of Gd into C$_{82}$ deforms the carbon chain in the vicinity of the Gd atoms. Significant overlap of the electron distribution is found between Gd and the C$_{82}$ cage, with the transferred Gd electron density localized mainly on the nearest carbon atoms. This charge localization reduces some of the conducting channels for the transport, causing a reduction in the conductivity of the Gd@C$_{82}$ species relative to the empty C$_{82}$ molecule. The electron transport across the metallofullerene is found to be insensitive to the spin state of the Gd atom.Comment: 13 pages, 7 figures, submitted Nano Let

Factors Associated with Overweight and Obesity in Vietnam: Findings from the WHO STEPS Survey

St. Luke's International University公衆衛生学修士（専門職）2020master thesi

On the Formation of Coal

The previous theories of the formation of coal have never explained satisfactorily that there are two different kinds of bituminous coal, namely one has the caking property and the other not; however, from the above described observations, the following conclusions may be obtained, because it seems that there is the possibility of the formation of the caking component only when cellulose is in the original materials. Namely, caking coal should have been formed under such conditions, that there were still comparatively large amounts of the decomposition products of cellulose during the huminification processes and the degree of coalification was suitable; on the other hand, when cellulose was decomposed and diminished severely beyond a cirtain degree, sintering or non-caking coal should have been formed. In another words, Fischer's lignin theory may be able to explain only the extreme, or rather exceptional case of the coal formation, and as the general view of this subject the cellulose theory, that not only lignin but also cellulose are the important original material of natural coal, seems in any case to be reasonable

Nitrogen and Sulphur in Coal

As it was considered that the origin of nitrogen in coal was protein, cellulose and lignin were coalified with protein (egg albumin) in water medium at 300°C under corresponding pressure. The behaviors of nitrogen in the artificial coalification processes were observed and the properties of thus obtained coals were examined. Nitrogen in protein is chemically combined with cellulose and lignin, and the proper amount of protein accelerates the huminification of cellulose and the bituminization of lignin. When these nitrogen containing artificial coals are oxidized with alkaline KMnO₄, nitrogen is recovered as NH₃ and NO´₃ almost quantitatively, as same as in the case of natural coals. With this fact, it seems probable that nitrogen in artificial coal is in the same condition of that in natural coal. Cellulose and lignin were artificially coalified in aqueous solutions or suspension of sulfides or sulfates to discuss the origin of sulphur in coal. Water soluble sulfides supply sulphur into artificial coal as organic sulphur, but water insoluble sulfides or sulfates (even water sobluble) do not. It can be concluded that the origin of organic sulphur in coal is water soluble sulfides and that the hypothesis, which explaines that iron sulfates are reduced to pyrite in the coal forming process, seems scarecely probable