Wang, H. et al.
Molecular Single-Photon Emitters across Chemical Space: Substrate Effects and Design Principles
ACS Nano (2026).
PAH (MolexDB)¶
Description¶
MolExDB is an open-access database of molecular excited-state and optical properties calculated using high-throughput density functional theory (DFT). It includes zero-phonon-line energies, Huang–Rhys factors, radiative rates, singlet–triplet energy gaps, and photoluminescence spectra, enabling efficient screening and design of molecular single-photon emitters for quantum photonic applications.