Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells

•Phosphonates interact strongly with halide perovskites through hydrogen bonds•Deep defect passivation and non-radiative recombination remain unaffected•Shallow point ion immobilization result in high device stability•Nearly 100% of the initial efficiency (21%) is retained after 1,000 h illumination Shallow defects, which are considered benign classical inorganic semiconductors, unfavorably for ionic-electronic conductors such as perovskites, causing migration poor operational stability when applied a solar cell. We report that organic molecule 3-phosphonopropionic acid (H3pp), added to perovskite, passivates shallow defects having minimal effect on deep-defect recombination. This results an unaffected overall optoelectronic performance while tremendous perovskite The binding modes benefits ions leads exceptional stability. Our findings permit decoupling effects advance understanding relation between passivation, recombination, PSC performance. Understanding paramount importance development stable cells (PSCs). However, isolating their distinctive currently challenge. adding (H3pp) unchanged obtained PSCs ?21% retain ?100% at maximum power under simulated AM1.5G illumination. strong interaction H3pp two types bonds (H…I O…H) has significant but not efficiency. expect our work will have important implications current advancement PSCs. Photovoltaic (PV) energy technologies crucial transform society into low-carbon economy, enabling production electricity from sunlight. Single-junction (PSCs) already achieved certified conversion (PCE) above 25%.1Kim H.S. Lee C.R. Im J.H. K.B. Moehl T. Marchioro A. Moon S.J. Humphry-Baker R. Yum Moser J.E. et al.Lead iodide sensitized all-solid-state submicron thin film mesoscopic cell exceeding 9%.Sci. Rep. 2012; 2: 591https://doi.org/10.1038/srep00591Crossref PubMed Scopus (5987) Google Scholar,2Lee M.M. Teuscher J. Miyasaka Murakami T.N. Snaith H.J. 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