Simulated transient absorption reveals torsion-dependent nonradiative relaxation in a near-infrared nanographene emitter
Functionalized nanographenes are emerging near-infrared emitters, yet the microscopic pathways underlying their ultrafast excited-state dynamics remain elusive. Here, we combine atomistic nonadiabatic simulations with transient absorption (TA) modeling to analyze the relaxation mechanisms in a donor–acceptor nanographe...