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SUMMARY:Defect Chemistry and Entropy Stabilization in 3D “Hollow” Hybri
 d Organic-Inorganic Perovskites
LOCATION:Chemistry A101
TZID:America/Denver
DTSTART:20221014T160000
UID:2026-05-05-17-04-00@natsci.colostate.edu
DTSTAMP:20260505T170400
Description:About the Seminar:\n\nHybrid organic-inorganic perovskites (HOI
 Ps) have shown exceptional advances in photovoltaic applications due in pa
 rt to their unique defect-tolerant frameworks that enables facile\, inexpe
 nsive synthetic methods.1 Although their defect tolerance offers robust p
 roperties\, it also serves as barrier for controllable doping. The low for
 mation energy of intrinsic defects in conjunction with associated dynamic 
 disorder serve to counteract intentional tuning of HOIP Fermi levels.2 In 
 order to intentionally dope HOIP materials\, a better understanding of the
  intrinsic defect compensation mechanisms and equilibria is required. A cl
 ass of HOIPs know as 3D “hollow” HOIPS have been found to exhibit incr
 eased air stability which has been hypothesized to relate to their unique 
 defect chemistry. In this talk\, an overview of the thermodynamic origins 
 of the increased stability seen in 3D “hollow” HOIPs will be given to 
 yield insight into related defect equilibria. In the primary literature\, 
 configurational entropy was found play a significant role in the stabiliza
 tion of the 3D “hollow” HOIPS\, (A)1-x(en)x(Pb)1-0.7x(X)3-0.4x (A = me
 thylammonium\, formamidinium\, en = ethylenediammonium\, X = Br\, I).3 The
 se results indicate that the relative “hollowness” of these compounds 
 influences their configurational entropy\, stability\, and defect equilibr
 ia.  \n\n \n\n 	Brandt\, R. E.\; Poindexter\, J. R.\; Gorai\, P.\; Kurc
 hin\, R. C.\; Hoye\, R. L. Z.\; Nienhaus\, L.\; Wilson\, M.W. B.\; Polizzo
 tti\, J. A.\; Sereika\, R.\; ˇZaltauskas\, R.\; Lee\, L. C.\; MacManus-Dr
 iscoll\, J. L.\; Bawendi\, M.\; Stevanovi ́c\, V.\; Buonassisi\, T. Searc
 hing for “Defect-Tolerant” Photovoltaic Materials: Combined Theoretica
 l and Experimental Screening. Chemistry of Materials\, 2017\, 29\, 4667–
 4674\,\n 	 Walsh\, A.\; Scanlon\, D. O.\; Chen\, S.\; Gong\, X. G.\; Wei\
 , S.-H. Self-Regulation Mechanism for Charged Point Defects in Hybrid Hali
 de Perovskites. Angewandte Chemie\, 2014\, 54\, 1791–1794. \n 	Jayanthi
 \, K.\; Spanopoulos\, I.\; Zibouche\, N.\; Voskanyan\, A. A.\; Vasileiadou
 \, E. S.\; Islam\, M. S.\; Navrotsky\, A.\; Kanatzidis\, M. G. Entropy Sta
 bilization Effects and Ion Migration in 3D “Hollow” Halide Perovskites
 . J. Am. Chem. Soc.\, 2022\, 144\, 8223–8230. \n\n&nbsp\; 4:00 pm
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