Nanodiamonds in water can generate solvated electrons under ultraviolet (UV) excitation, but UV light constitutes only a small portion of solar energy. To harvest solar energy in the visible range, we investigate band gap reduction via surface amino...
Near-infrared (NIR) rhodamine dyes are pivotal for bioimaging due to the minimal tissue interference. Yet, their rational design is hindered by unreliable computational methods for excited-state property prediction. We benchmarked the time-dependent...
Based on first-principles calculations and linear-response time-dependent density functional theory within the random phase approximation (LR-TDDFT-RPA), this work systematically investigates the modulation of Dirac plasmons in germanene via carrier...