Refined standards for simulating UV–vis absorption spectra of acceptors in organic solar cells by TD-DFT
Yue Ren, Mingyang Li, Yuxuan Song, Ming‐Yue Sui, Guang‐Yan Sun, Xiaochun Qu, Peng Xie, Jing-Lan Lu
Topics & Concepts
PhotoexcitationChemistryOrganic solar cellAcceptorDensity functional theoryTime-dependent density functional theoryAbsorption (acoustics)Absorption spectroscopyComputational physicsChemical physicsExcitationComputational chemistryQuantum mechanicsPhysicsOpticsOrganic chemistryPolymerOrganic Electronics and PhotovoltaicsPhotochemistry and Electron Transfer StudiesFullerene Chemistry and Applications