Supplementary Data for "How Strong is the Hydrogen Bond in Hybrid Perovskites?

Name: Supplementary Data for "How Strong is the Hydrogen Bond in Hybrid Perovskites?
Creator: Svane, Katrine L.
Keywords: Hydrogen bonding, Hybrid Perovskites

Svane, Katrine L.

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ZENODO

Dataset . 2017

License: CC BY

Data sources: Datacite

ZENODO

Dataset . 2017

License: CC BY

Data sources: Datacite

Supplementary Data for "How Strong is the Hydrogen Bond in Hybrid Perovskites?

Research datakeyboard_double_arrow_right Dataset 31 Oct 2017Publisher:ZenodoFunded by:UKRI | SUPERSOLAR Solar Energy H..., EC | HYBRIDS, UKRI | Multi-Scale Modelling of ...

Authors: Svane, Katrine L.;

doi: 10.5281/zenodo.997349 , 10.5281/zenodo.997350

Supplementary Data for "How Strong is the Hydrogen Bond in Hybrid Perovskites?

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Abstract

The authors acknowledge computing support from the UK national supercomputing service (Archer), via membership of the UK Materials Chemistry Consortium which is funded by EPSRC (EP/L000202), and from the University of Bath computing services (Balena).

DFT optimised structures for the hybrid perovskites with the X organic cation and the Y anion: POSCAR-X-Y-D3 NMRdata.zip with NMR data for the four Zn formate perovskites and the X organic cation: X.dx

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University of Bath
United Kingdom

Keywords

Hydrogen bonding, Hybrid Perovskites

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How Strong Is the Hydrogen Bond in Hybrid Perovskites?
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