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May 13, 2026Materials Advances0 citationsOpen Access

Density functional theory prediction of a novel hybrid organic–inorganic bidentate perovskite with charge transport perpendicular to the inorganic layer

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SRSergio Romero-GarcíaSRSusana Ramos-TerrónGMGustavo de Miguel

Key Points

  • To predict a new hybrid bidentate perovskite with enhanced charge transport properties.
  • Utilized density functional theory for predictions of the perovskite's characteristics.
  • Analyzed charge transport mechanisms involving both inorganic and organic components.
  • Identified a novel bidentate perovskite structure.
  • Found that charge transport occurs perpendicularly to the inorganic layer.

Abstract

We present a new bidentate perovskite in which charge transport involves both inorganic layers and organic spacers. Graphical abstract image modified using AI.

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Cite This Study

Romero-García et al. (2026) studied this question.

synapsesocial.com/papers/6a03cc1b1c527af8f1ecfeffhttps://doi.org/10.1039/d6ma00307a
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