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Narrowing the toler...
Narrowing the tolerance factor limits for hybrid organic-inorganic dicyanamide-perovskites
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- Garcia-Ben, Javier (författare)
- Univ A Coruna, Ctr Investigac Cient Avanzadas CICA, Quimolmat, Rua Carballeiras, La Coruna 15071, Spain.;Univ A Coruna, Dept Quim, Fac Ciencias, Campus Zapateira, La Coruna 15008, Spain.
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- Garcia Fernandez, Alberto (författare)
- KTH,Tillämpad fysikalisk kemi
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- Dafonte-Rodriguez, Pedro (författare)
- Univ A Coruna, Ctr Investigac Cient Avanzadas CICA, Quimolmat, Rua Carballeiras, La Coruna 15071, Spain.;Univ A Coruna, Dept Quim, Fac Ciencias, Campus Zapateira, La Coruna 15008, Spain.
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- Delgado-Ferreiro, Ignacio (författare)
- Univ A Coruna, Ctr Investigac Cient Avanzadas CICA, Quimolmat, Rua Carballeiras, La Coruna 15071, Spain.;Univ A Coruna, Dept Quim, Fac Ciencias, Campus Zapateira, La Coruna 15008, Spain.
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- Cappel, Ute B. (författare)
- KTH,Tillämpad fysikalisk kemi
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- Castro-Garcia, Socorro (författare)
- Univ A Coruna, Ctr Investigac Cient Avanzadas CICA, Quimolmat, Rua Carballeiras, La Coruna 15071, Spain.;Univ A Coruna, Dept Quim, Fac Ciencias, Campus Zapateira, La Coruna 15008, Spain.
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- Sanchez-Andujar, Manuel (författare)
- Univ A Coruna, Ctr Investigac Cient Avanzadas CICA, Quimolmat, Rua Carballeiras, La Coruna 15071, Spain.;Univ A Coruna, Dept Quim, Fac Ciencias, Campus Zapateira, La Coruna 15008, Spain.
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- Manuel Bermudez-Garcia, Juan (författare)
- Univ A Coruna, Ctr Investigac Cient Avanzadas CICA, Quimolmat, Rua Carballeiras, La Coruna 15071, Spain.;Univ A Coruna, Dept Quim, Fac Ciencias, Campus Zapateira, La Coruna 15008, Spain.
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- Antonia Senaris-Rodriguez, Maria (författare)
- Univ A Coruna, Ctr Investigac Cient Avanzadas CICA, Quimolmat, Rua Carballeiras, La Coruna 15071, Spain.;Univ A Coruna, Dept Quim, Fac Ciencias, Campus Zapateira, La Coruna 15008, Spain.
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Univ A Coruna, Ctr Investigac Cient Avanzadas CICA, Quimolmat, Rua Carballeiras, La Coruna 15071, Spain;Univ A Coruna, Dept Quim, Fac Ciencias, Campus Zapateira, La Coruna 15008, Spain. Tillämpad fysikalisk kemi (creator_code:org_t)
- Elsevier BV, 2022
- 2022
- Engelska.
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Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 316, s. 123635-
- Relaterad länk:
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- In this work we focus in setting the limits of the tolerance factor and the size of the A-cations that stabilize the perovskite structure in hybrid dicyanamide compounds [A][Mn(dca)3]. For this purpose, we propose an alter-native, simple approach to calculate a more realistic effective ionic radius for the large and anisotropic A-cations often present in these type of compounds. We test the proposed procedure by analysing the crystal structures of [A][Mn(dca)3] dicyanamide hybrids reported in the literature and recalculating the tolerance factors of such compounds, as well as by preparing five new [A][Mn(dca)3] members, discussing also the influence of the A -cation shape in the stability limits of the perovskite structure. Interestingly, such methodology is not only useful to develop new compounds of the emerging family of (multi)functional multi(stimuli)-responsive dicyanamide materials but can also be applied to other hybrid organic-inorganic perovskites and related materials.
Ämnesord
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Nyckelord
- Hybrid organic-inorganic perovskites
- Tolerance factor
- Dicyanamide compounds
- A-cation volume
- Promolecule isosurface
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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