Electronic memory devices based on the chalcone with negative electrostatic potential regions

•The molecular electrostatic potential (ESP) properties were used.•The chalcone compounds were used for the WORM type device.•The molecular geometries were optimized by the addition of a changeable electric field in the x direction.•The structure–property relationship was discussed.

The molecular electrostatic potential (ESP) properties were used for the explanation of organic electric memory ability. Several chalcone compounds, owning a negative ESP region locates at the oxygen atom, were selected in this paper to validate the selection of compounds for organic memory materials. The synthesis, characterization, fabrication of the organic memory devices and the electrical properties for them were reported, and they were shown as WORM (write once read many times) type memory devices. The molecular geometries were optimized by the addition of a changeable electric field in the x direction inside the molecules using FF-DFT (Finite Field-Density Functionary Theory) method. The relationship between ESP of the molecules under different electric field and the property was discussed, and the mechanisms associated with the memory effect were also elucidated from DFT calculation results.

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