TD-DFT-guided development of a robust hole-transporting layer for optimized triple-cation perovskite solar cell performance
Sign Up to like & getrecommendations! Published in 2024 at "New Journal of Chemistry"
DOI: 10.1039/d4nj03550j
Abstract: Perovskite solar cells (PSCs) have earned considerable attention as a promising photovoltaic technology for future power generation. Spiro derivatives are often used as a hole-transporting layer (HTL) in highly efficient... read more here.
Keywords: hole transporting; guided development; transporting layer; dft guided ... See more keywords
Suzuki-Coupled Pyrene-Heterocycles with Host-Guest-Enhanced NIR Phosphorescence: DFT-Guided Design Toward Breast Cancer Imaging Probes
Sign Up to like & getrecommendations! Published in 2025 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d5cp03599f
Abstract: Organic near-infrared room-temperature phosphorescent (NIR-RTP) materials face fundamental challenges from the energy gap law, limiting emission efficiency of wavelengths >600 nm and long-lived triplet states. We report the rational design of Buchwald-Hartwig aminated pyrene-heterocycles embedded… read more here.
Keywords: imaging probes; pyrene heterocycles; host guest; nir phosphorescence ... See more keywords