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Sökning: id:"swepub:oai:DiVA.org:kth-321048" > Narrowing the toler...

Narrowing the tolerance factor limits for hybrid organic-inorganic dicyanamide-perovskites

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.
Garcia Fernandez, Alberto (författare)
KTH,Tillämpad fysikalisk kemi
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.
Cappel, Ute B. (författare)
KTH,Tillämpad fysikalisk kemi
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.
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.
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.
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.
Ingår i: Journal of Solid State Chemistry. - : Elsevier BV. - 0022-4596 .- 1095-726X. ; 316, s. 123635-
  • Tidskriftsartikel (refereegranskat)
Abstract Ämnesord
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  • 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

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