Mechanisms of lithium intercalation and conversion processes in organic-inorganic halide perovskites
Organic-inorganic halide perovskites are attracting extraordinary attention in the field of energy materials. The reaction of hybrid lead halide perovskites with Li metal has been recently proposed for a number of potential applications. However, the mechanisms for Li uptake in such materials, such...
| Main Authors: | , , , , , , , |
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| Formato: | Journal article |
| Publicado: |
American Chemical Society
2017
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| _version_ | 1826294197096808448 |
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| author | Dawson, JA Naylor, AJ Eames, C Roberts, MR Zhang, W Snaith, HJ Bruce, PG Islam, MS |
| author_facet | Dawson, JA Naylor, AJ Eames, C Roberts, MR Zhang, W Snaith, HJ Bruce, PG Islam, MS |
| author_sort | Dawson, JA |
| collection | OXFORD |
| description | Organic-inorganic halide perovskites are attracting extraordinary attention in the field of energy materials. The reaction of hybrid lead halide perovskites with Li metal has been recently proposed for a number of potential applications. However, the mechanisms for Li uptake in such materials, such as intercalation and conversion, are still unknown. Using a combination of density functional theory, electrochemical and diffraction techniques, we consider Li intercalation and conversion reactions in CH3NH3PbI3, CH3NH3PbBr3 and CH3NH3PbCl3. Our simulations suggest that conversion reactions with Li are far more energetically preferable in these materials than Li intercalation. Calculations confirm the formation of Pb metal as a result of Li conversion in all three materials, and this is supported by an X-ray diffraction analysis of CH3NH3PbBr3. The results of this study provide fresh insights into lithium and halide perovskite reactions that will hopefully drive further exploration of these materials for a wider variety of energy applications. |
| first_indexed | 2024-03-07T03:41:55Z |
| format | Journal article |
| id | oxford-uuid:be306a8f-fac0-430f-88a1-2e42fe2ef425 |
| institution | University of Oxford |
| last_indexed | 2024-03-07T03:41:55Z |
| publishDate | 2017 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | oxford-uuid:be306a8f-fac0-430f-88a1-2e42fe2ef4252022-03-27T05:37:23ZMechanisms of lithium intercalation and conversion processes in organic-inorganic halide perovskitesJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:be306a8f-fac0-430f-88a1-2e42fe2ef425Symplectic Elements at OxfordAmerican Chemical Society2017Dawson, JANaylor, AJEames, CRoberts, MRZhang, WSnaith, HJBruce, PGIslam, MSOrganic-inorganic halide perovskites are attracting extraordinary attention in the field of energy materials. The reaction of hybrid lead halide perovskites with Li metal has been recently proposed for a number of potential applications. However, the mechanisms for Li uptake in such materials, such as intercalation and conversion, are still unknown. Using a combination of density functional theory, electrochemical and diffraction techniques, we consider Li intercalation and conversion reactions in CH3NH3PbI3, CH3NH3PbBr3 and CH3NH3PbCl3. Our simulations suggest that conversion reactions with Li are far more energetically preferable in these materials than Li intercalation. Calculations confirm the formation of Pb metal as a result of Li conversion in all three materials, and this is supported by an X-ray diffraction analysis of CH3NH3PbBr3. The results of this study provide fresh insights into lithium and halide perovskite reactions that will hopefully drive further exploration of these materials for a wider variety of energy applications. |
| spellingShingle | Dawson, JA Naylor, AJ Eames, C Roberts, MR Zhang, W Snaith, HJ Bruce, PG Islam, MS Mechanisms of lithium intercalation and conversion processes in organic-inorganic halide perovskites |
| title | Mechanisms of lithium intercalation and conversion processes in organic-inorganic halide perovskites |
| title_full | Mechanisms of lithium intercalation and conversion processes in organic-inorganic halide perovskites |
| title_fullStr | Mechanisms of lithium intercalation and conversion processes in organic-inorganic halide perovskites |
| title_full_unstemmed | Mechanisms of lithium intercalation and conversion processes in organic-inorganic halide perovskites |
| title_short | Mechanisms of lithium intercalation and conversion processes in organic-inorganic halide perovskites |
| title_sort | mechanisms of lithium intercalation and conversion processes in organic inorganic halide perovskites |
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