Matches in SemOpenAlex for { <https://semopenalex.org/work/W3025036890> ?p ?o ?g. }
- W3025036890 endingPage "4715" @default.
- W3025036890 startingPage "4707" @default.
- W3025036890 abstract "Lead halide perovskites have revolutionized the solar cell community. Further optimization of perovskite-based optoelectronic devices requires fundamental understanding of their structure–property relationships. Recent experiments indicate that MAPbI3 and other lead halide perovskites exhibit an unusual pressure dependence of photophysical properties. Typically, decreased band gaps are associated with shorter excited state lifetimes; however, perovskites show the opposite trend. Moreover, the narrower band gap and longer carrier lifetime achieved simultaneously form a favorable combination for solar energy utilization. We rationalize the surprising observation using ab initio nonadiabatic molecular dynamics. Compression of the inorganic lattice enhances the antibonding interaction between the Pb-s and I-p orbitals, raising the valence band maximum and decreasing the band gap. Pressure-induced destabilization of the lattice enhances fluctuations of the Pb and I atoms. The induced disorder localizes electrons and holes, decreasing their overlap. As a result, loss of coherence during the nonradiative relaxation is accelerated, and the relaxation is slowed down. This time-domain decoherence effect is equivalent to the reduction of the Franck–Condon factor in the energy domain, taking place because of a stronger response of the destabilized Pb–I lattice to photoexcitation. The detailed atomistic understanding of the structure–property relationships of lead halide perovskites paves the way for further improvement of perovskite-based optoelectronic devices." @default.
- W3025036890 created "2020-05-21" @default.
- W3025036890 creator A5030963316 @default.
- W3025036890 creator A5061633372 @default.
- W3025036890 creator A5065712767 @default.
- W3025036890 creator A5089352096 @default.
- W3025036890 date "2020-05-12" @default.
- W3025036890 modified "2023-10-16" @default.
- W3025036890 title "Anti-correlation between Band gap and Carrier Lifetime in Lead Halide Perovskites under Compression Rationalized by Ab Initio Quantum Dynamics" @default.
- W3025036890 cites W1970022823 @default.
- W3025036890 cites W1971274408 @default.
- W3025036890 cites W1971997173 @default.
- W3025036890 cites W1979086238 @default.
- W3025036890 cites W2008961803 @default.
- W3025036890 cites W2029637177 @default.
- W3025036890 cites W2044423188 @default.
- W3025036890 cites W2048860260 @default.
- W3025036890 cites W2049397384 @default.
- W3025036890 cites W2054093403 @default.
- W3025036890 cites W2056269736 @default.
- W3025036890 cites W2069616023 @default.
- W3025036890 cites W2079105963 @default.
- W3025036890 cites W2079753334 @default.
- W3025036890 cites W2085867137 @default.
- W3025036890 cites W2087044477 @default.
- W3025036890 cites W2087698390 @default.
- W3025036890 cites W2099446954 @default.
- W3025036890 cites W2129970907 @default.
- W3025036890 cites W2171105325 @default.
- W3025036890 cites W2208397538 @default.
- W3025036890 cites W2213255652 @default.
- W3025036890 cites W2273034406 @default.
- W3025036890 cites W2295479467 @default.
- W3025036890 cites W2314462761 @default.
- W3025036890 cites W2318724650 @default.
- W3025036890 cites W2337981433 @default.
- W3025036890 cites W2417353325 @default.
- W3025036890 cites W2462643781 @default.
- W3025036890 cites W2489951001 @default.
- W3025036890 cites W2506805592 @default.
- W3025036890 cites W2543881446 @default.
- W3025036890 cites W2548767131 @default.
- W3025036890 cites W2560748970 @default.
- W3025036890 cites W2575240050 @default.
- W3025036890 cites W2581128135 @default.
- W3025036890 cites W2610240448 @default.
- W3025036890 cites W2613859143 @default.
- W3025036890 cites W2619293258 @default.
- W3025036890 cites W2732528253 @default.
- W3025036890 cites W2739397213 @default.
- W3025036890 cites W2744649748 @default.
- W3025036890 cites W2763552432 @default.
- W3025036890 cites W2774948287 @default.
- W3025036890 cites W2786195605 @default.
- W3025036890 cites W2787170842 @default.
- W3025036890 cites W2794911634 @default.
- W3025036890 cites W2799665911 @default.
- W3025036890 cites W2801775671 @default.
- W3025036890 cites W2803457597 @default.
- W3025036890 cites W2805639266 @default.
- W3025036890 cites W2810199347 @default.
- W3025036890 cites W2872992014 @default.
- W3025036890 cites W2885344285 @default.
- W3025036890 cites W2885442423 @default.
- W3025036890 cites W2890506702 @default.
- W3025036890 cites W2890866930 @default.
- W3025036890 cites W2894499928 @default.
- W3025036890 cites W2895973484 @default.
- W3025036890 cites W2898247356 @default.
- W3025036890 cites W2898476545 @default.
- W3025036890 cites W2900627203 @default.
- W3025036890 cites W2914145088 @default.
- W3025036890 cites W2917550026 @default.
- W3025036890 cites W2921984897 @default.
- W3025036890 cites W2925331326 @default.
- W3025036890 cites W2926242434 @default.
- W3025036890 cites W2939544958 @default.
- W3025036890 cites W2944482662 @default.
- W3025036890 cites W2944571495 @default.
- W3025036890 cites W2945498213 @default.
- W3025036890 cites W2948861280 @default.
- W3025036890 cites W2952419752 @default.
- W3025036890 cites W2956027049 @default.
- W3025036890 cites W2964007957 @default.
- W3025036890 cites W2964448343 @default.
- W3025036890 cites W2967166393 @default.
- W3025036890 cites W2967603154 @default.
- W3025036890 cites W2972229475 @default.
- W3025036890 cites W2975782717 @default.
- W3025036890 cites W2976484903 @default.
- W3025036890 cites W2980729777 @default.
- W3025036890 cites W2989642950 @default.
- W3025036890 cites W2991089831 @default.
- W3025036890 cites W3000435220 @default.
- W3025036890 cites W3006801004 @default.
- W3025036890 cites W3010130011 @default.
- W3025036890 doi "https://doi.org/10.1021/acs.chemmater.0c01287" @default.
- W3025036890 hasPublicationYear "2020" @default.