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- W2979969298 startingPage "6604" @default.
- W2979969298 abstract "Using time domain density functional theory combined with nonadiabatic molecular dynamics, we demonstrate that the Sn dopants favor forming localized hole states with different extent at low and high doping concentrations, mimicking the small and large polarons, while retain the electron wave functions comparable with the pristine system, leading to nonadiabatic coupling decreasing by a factor of 45% and 38% and bandgap reduction by 0.04 and 0.27 eV, respectively. Furthermore, replacing heavier Pb with lighter Sn increases atomic fluctuations and accelerates loss of quantum coherence, in particular even faster at higher Sn doping concentration. As a result, the interplay among the bandgap, NA coupling, and decoherence time delays the electron–hole recombination by a factor of 3.5 and 1.3 at low and high doping concentration. Our study reveals the atomistic mechanisms of suppressed recombination dependence on Sn doping concentration, providing a new way to design high performance mixed perovskites." @default.
- W2979969298 created "2019-10-18" @default.
- W2979969298 creator A5008829628 @default.
- W2979969298 creator A5045476577 @default.
- W2979969298 date "2019-10-12" @default.
- W2979969298 modified "2023-10-15" @default.
- W2979969298 title "Hole Localization Inhibits Charge Recombination in Tin–Lead Mixed Perovskites: Time–Domain ab Initio Analysis" @default.
- W2979969298 cites W1443040875 @default.
- W2979969298 cites W1970127494 @default.
- W2979969298 cites W1981368803 @default.
- W2979969298 cites W2006304022 @default.
- W2979969298 cites W2032089901 @default.
- W2979969298 cites W2033825842 @default.
- W2979969298 cites W2036113194 @default.
- W2979969298 cites W2038029283 @default.
- W2979969298 cites W2042468043 @default.
- W2979969298 cites W2044423188 @default.
- W2979969298 cites W2048860260 @default.
- W2979969298 cites W2049397384 @default.
- W2979969298 cites W2057327293 @default.
- W2979969298 cites W2079753334 @default.
- W2979969298 cites W2082052057 @default.
- W2979969298 cites W2083222334 @default.
- W2979969298 cites W2085867137 @default.
- W2979969298 cites W2092157292 @default.
- W2979969298 cites W2096747776 @default.
- W2979969298 cites W2125429745 @default.
- W2979969298 cites W2160785667 @default.
- W2979969298 cites W2168839364 @default.
- W2979969298 cites W2169328609 @default.
- W2979969298 cites W2183061374 @default.
- W2979969298 cites W2204788775 @default.
- W2979969298 cites W2213255652 @default.
- W2979969298 cites W2216096535 @default.
- W2979969298 cites W2226421194 @default.
- W2979969298 cites W2230728100 @default.
- W2979969298 cites W2231089743 @default.
- W2979969298 cites W2285496506 @default.
- W2979969298 cites W2293907582 @default.
- W2979969298 cites W2297345897 @default.
- W2979969298 cites W2318724650 @default.
- W2979969298 cites W2329085983 @default.
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- W2979969298 cites W2399411924 @default.
- W2979969298 cites W2417353325 @default.
- W2979969298 cites W2489951001 @default.
- W2979969298 cites W2509317409 @default.
- W2979969298 cites W2512549170 @default.
- W2979969298 cites W2521768527 @default.
- W2979969298 cites W2545672051 @default.
- W2979969298 cites W2587410790 @default.
- W2979969298 cites W2625257055 @default.
- W2979969298 cites W2705902370 @default.
- W2979969298 cites W2732821808 @default.
- W2979969298 cites W2735613780 @default.
- W2979969298 cites W2761973024 @default.
- W2979969298 cites W2763552432 @default.
- W2979969298 cites W2788131257 @default.
- W2979969298 cites W2791827561 @default.
- W2979969298 cites W2794180704 @default.
- W2979969298 cites W2802450723 @default.
- W2979969298 cites W2806658353 @default.
- W2979969298 cites W2809512561 @default.
- W2979969298 cites W2810529430 @default.
- W2979969298 cites W2885344285 @default.
- W2979969298 cites W2885929412 @default.
- W2979969298 cites W2893550006 @default.
- W2979969298 cites W2901306336 @default.
- W2979969298 cites W2903393784 @default.
- W2979969298 cites W2903744234 @default.
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- W2979969298 cites W2912531376 @default.
- W2979969298 cites W2912534722 @default.
- W2979969298 cites W2913429748 @default.
- W2979969298 cites W2914731301 @default.
- W2979969298 cites W2919039400 @default.
- W2979969298 cites W2921984897 @default.
- W2979969298 cites W2925331326 @default.
- W2979969298 cites W2925981144 @default.
- W2979969298 cites W2940017382 @default.
- W2979969298 cites W2943465202 @default.
- W2979969298 cites W2945118805 @default.
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- W2979969298 cites W2951712848 @default.
- W2979969298 cites W2952081921 @default.
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- W2979969298 doi "https://doi.org/10.1021/acs.jpclett.9b02786" @default.
- W2979969298 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31608643" @default.
- W2979969298 hasPublicationYear "2019" @default.
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