Calculation of excited states of monolayer TPPA-COF based on first principles
Xudong Tang, Yani Liu, Mingyang Li, Wangyang Ding, Haihua Chen, Wen‐Juan Wei, Jiayu Li
Abstract
The electron and hole distribution in the excited states of monolayer TPPA-COF are obtained by first principles calculation, and the ultraviolet-visible spectra were simulated to confirm the excellent light absorption characteristics of the COF.
Topics & Concepts
MonolayerExcited stateUltravioletAbsorption spectroscopySpectral lineAbsorption (acoustics)ChemistryMolecular physicsAtomic physicsMaterials scienceNanotechnologyPhysicsOpticsOptoelectronicsQuantum mechanicsComposite materialGas Sensing Nanomaterials and SensorsPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials