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We developed novel fullerene switching diodes (FSDs) using encapsulated polar molecules for data storage. Applied electric fields control molecular orientation, enabling voltage-controlled switching and data read/write operations.

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Area of Science:

  • Molecular electronics
  • Nanotechnology
  • Materials science

Background:

  • Molecular diodes are crucial for advanced data storage and processing.
  • Endohedral fullerenes offer a unique platform for molecular device fabrication.

Purpose of the Study:

  • To propose and investigate fullerene switching diodes (FSDs) based on endohedral fullerenes encapsulating polar molecules (MX@C70).
  • To demonstrate voltage-controlled switching and data storage capabilities of these molecular diodes.

Main Methods:

  • Multiscale in silico modeling.
  • Density functional theory combined with nonequilibrium Green's function (DFT-NEGF) computations.
  • Simulations of MX@C70 systems with two- and four-terminal electrodes under external electric fields.

Main Results:

  • External electric fields can control the orientation of encapsulated MX molecules within C70 cages.
  • The conductivity of MX@C70 systems is dependent on the MX orientation relative to electrodes.
  • Demonstrated voltage-induced switching between conductive states, analogous to a molecular memristor.

Conclusions:

  • MX@C70 systems function as voltage-sensitive switching molecular diodes.
  • The orientation of encapsulated molecules can be written and read using applied voltages.
  • These fullerene switching diodes show promise for molecular data storage and processing applications.