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An applied magnetic field causes the electrons present in the molecule to circulate, setting up a local diamagnetic current within the molecule. The local diamagnetic current arising from circulating sigma-bonding electrons induces a magnetic field, Blocal that opposes the applied magnetic field, B0. The effective magnetic field experienced by these nuclei is given by the difference between the applied and local magnetic fields in a phenomenon called local diamagnetic shielding. Essentially,...
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Protons and neutrons, collectively called nucleons, are packed together tightly in a nucleus. With a radius of about 10−15 meters, a nucleus is quite small compared to the radius of the entire atom, which is about 10−10 meters. Nuclei are extremely dense compared to bulk matter, averaging 1.8 × 1014 grams per cubic centimeter. If the earth’s density were equal to the average nuclear density, the earth’s radius would be only about 200 meters.
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Nuclear transmutation is the conversion of one nuclide into another. It can occur by the radioactive decay of a nucleus, or the reaction of a nucleus with another particle. The first manmade nucleus was produced in Ernest Rutherford’s laboratory in 1919 by a transmutation reaction, the bombardment of one type of nuclei with other nuclei or with neutrons. Rutherford bombarded nitrogen-14 atoms with high-speed α particles from a natural radioactive isotope of radium and observed...
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NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of one, the...
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All atomic particles possess an intrinsic angular momentum, or 'spin'. Electrons, protons, and neutrons each have a spin value of ½, although protons and neutrons in nuclei may have higher half-integer spins owing to energetic factors.
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An atom comprises protons and neutrons, which are contained inside the dense, central core called the nucleus, with electrons present around the nucleus. Taking into account the wave–particle duality of electrons and the uncertainty in position around the nucleus, quantum mechanics provides a more accurate model for the atomic structure. It describes atomic orbitals as the regions around the nucleus where electrons of discrete energy exist, characterized by four quantum...
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BNC nanoshells: a novel structure for atomic storage.

F W N Silva1, E Cruz-Silva2, M Terrones2,3

  • 1Departamento de Física, Universidade Federal do Ceará, Fortaleza, Ceará, 60455-900, Brazil.

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Quantum molecular dynamics simulations reveal that carbon, boron nitride, and hybrid BNC nanoribbons spontaneously form stable nanoshells. These structures exhibit tunable electronic properties and potential for molecular storage applications.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Nanomaterials, including graphene and boron nitride nanoribbons, are of significant interest due to their unique electronic and structural properties.
  • The formation and stability of complex nanostructures from simpler precursors are crucial for developing novel materials.

Purpose of the Study:

  • To investigate the structural and electronic properties of carbon, boron nitride (BN), and hybrid BNC nanoshells.
  • To explore the potential of these nanoshells for applications such as molecular storage.

Main Methods:

  • Utilizing Quantum Molecular Dynamics (QMD) and Density Functional Theory (DFT) for simulations.
  • Analyzing the structural evolution and electronic band structures of the nanoshells.
  • Investigating the effect of an applied transverse electric field on the nanoshell structure.

Main Results:

  • Nanoribbons spontaneously collapse into stable nanoshell structures within femtoseconds.
  • The resulting nanoshells can be metallic or semiconducting, depending on their stoichiometry.
  • Spin splitting near the Fermi level is observed in pure carbon and hybrid BNC nanoshells.
  • An applied electric field causes the nanoshells to open, indicating potential for molecular storage.

Conclusions:

  • The study demonstrates the spontaneous formation of stable BNC, BN, and carbon nanoshells with tunable electronic properties.
  • The observed response to electric fields suggests promising applications in molecular storage, exemplified by H2 molecule adsorption.