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Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
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Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the...
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In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
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An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
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Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
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Nonvolatile electro-mechanical coupling in two-dimensional lattices.

Xilong Xu1, Ting Zhang1, Ying Dai1

  • 1School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Shandanan Street 27, Jinan 250100, China. daiy60@sina.com.

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Researchers demonstrate a novel electro-mechanical coupling mechanism for controlling two-dimensional (2D) lattice dimensions using electric fields. This nonvolatile method utilizes ferroelectric bilayers, offering new possibilities for electronic devices.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Nanotechnology

Background:

  • Electro-mechanical coupling is crucial for sensors, actuators, and energy harvesters.
  • While mechanical control of electrical charge is well-studied, the reverse (electric field control of mechanical properties) is less explored, particularly in 2D materials.

Purpose of the Study:

  • To propose and validate a novel mechanism for electro-mechanical coupling in 2D lattices.
  • To achieve reversible and nonvolatile electric field switching of lattice dimensions.
  • To explore the role of ferroelectric bilayers and interface polarization in this coupling.

Main Methods:

  • First-principles calculations were employed to investigate the proposed mechanism.
  • The mechanism was validated using realistic 2D bilayer material systems.
  • Analysis focused on the influence of interface polarization on interlayer interactions.

Main Results:

  • A novel mechanism for electric field-induced switching of 2D lattice dimensions was proposed.
  • The mechanism was demonstrated in MoS2/ReIrGe2S6, Sb/In2Se3, and bilayer In2Se3 systems.
  • Interface polarization was identified as a key factor enabling nonvolatile electro-mechanical coupling.

Conclusions:

  • The study presents a new pathway for nonvolatile electric field control of mechanical strain in 2D materials.
  • The findings offer insights into utilizing ferroelectric bilayers for advanced electronic and mechanical applications.
  • This work opens avenues for designing next-generation sensors and actuators with electric field tunability.