Narrowing band gap chemically and physically: conductive dense hydrocarbon

Abstract Enhancing intermolecular interactions can reduce the band gap energy of organic molecules. Consequently, certain polycyclic aromatic hydrocarbons – typically wide-band-gap insulators – may undergo insulator-to-metal transitions under simple compression. This pressure-induced electronic tran...

Full description

Bibliographic Details
Published in:Communications Materials
Main Authors: Takeshi Nakagawa, Caoshun Zhang, Kejun Bu, Philip Dalladay-Simpson, Martina Vrankić, Sarah Bolton, Dominique Laniel, Dong Wang, Akun Liang, Hirofumi Ishii, Nozomu Hiraoka, Gaston Garbarino, Angelika D. Rosa, Qingyang Hu, Xujie Lü, Ho-kwang Mao, Yang Ding
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Online Access:https://doi.org/10.1038/s43246-025-00814-2
Description
Summary:Abstract Enhancing intermolecular interactions can reduce the band gap energy of organic molecules. Consequently, certain polycyclic aromatic hydrocarbons – typically wide-band-gap insulators – may undergo insulator-to-metal transitions under simple compression. This pressure-induced electronic transition could enable the transformation of non-metallic organic materials into states exhibiting intriguing electronic properties, including high-temperature superconductivity. Here we investigate a pressure-induced transition in dicoronylene (C48H20), an insulator at ambient conditions, to a semiconducting state with a resistivity drop of three-orders-of-magnitude at 23.0 GPa. Through the complementary integration of transport property measurements with in situ UV-Visible absorption, Raman spectroscopy and synchrotron X-ray diffraction experiments, as well as first-principles studies, we propose a possible mechanism for the pressure-driven electronic structure evolution of C48H20. The discovery of an intriguing electronic transition at pressures well below the megabar observed marks a promising step towards realizing a single-component purely hydrocarbon molecular metal.
ISSN:2662-4443