OH\(^-\) ions can reduce the iodide migration in MAPI
One of the main degradation mechanisms of methylammonium lead iodine (MAPI), which is an important material for perovskite based solar cells, is the migration of iodide ions. It is believed that this phenomenon is in fact dominated by the diffusion of iodide vacancies. In this paper, we suggest that...
Gespeichert in:
| Veröffentlicht in: | arXiv.org 2024-03 |
|---|---|
| Hauptverfasser: | , , , , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | |
|---|---|
| container_issue | |
| container_start_page | |
| container_title | arXiv.org |
| container_volume | |
| creator | Brophy, R E Kateb, M Ghitiu, I Filipoiu, N Torfason, K Svavarsson, H G Nemnes, G A Pintilie, I Manolescu, A |
| description | One of the main degradation mechanisms of methylammonium lead iodine (MAPI), which is an important material for perovskite based solar cells, is the migration of iodide ions. It is believed that this phenomenon is in fact dominated by the diffusion of iodide vacancies. In this paper, we suggest that the addition of a small amount of OH\(^-\) ions can help suppress the migration of iodide and increase the overall stability of the material. Through the use of molecular dynamics simulations, we show that the OH\(^-\) ions can bind to the positively charged iodide vacancies and can block the access of the negative iodide ions into those vacancies. |
| doi_str_mv | 10.48550/arxiv.2403.04188 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_arxiv</sourceid><recordid>TN_cdi_arxiv_primary_2403_04188</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2953377185</sourcerecordid><originalsourceid>FETCH-LOGICAL-a525-5c497953224f5ebaf1323843dbe739e1e9dd105e4b1739b4f51c55d5481fd2fc3</originalsourceid><addsrcrecordid>eNotj8FKw0AQhhdBsNQ-gCcXvOghcXdmx2yOpWhbqNRDj8WwyW50i03qJhF9e9fW0zDDx_z_x9iVFKnSROLehG__lYISmAoltT5jI0CUiVYAF2zSdTshBDxkQIQjRuvF9vY12d5x3zYdr0zDg7ND5Xj_7uLNeuv43r8F00eA-4Y_T1-Wl-y8Nh-dm_zPMds8PW5mi2S1ni9n01ViCCihSuVZTgiganKlqSUCaoW2dBnmTrrcWinIqVLGvYyQrIgsKS1rC3WFY3Z9ent0Kg7B7034Kf7ciqNbJG5OxCG0n4Pr-mLXDqGJnQqIyZhlUhP-Avu5ToI</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2953377185</pqid></control><display><type>article</type><title>OH\(^-\) ions can reduce the iodide migration in MAPI</title><source>arXiv.org</source><source>Free E- Journals</source><creator>Brophy, R E ; Kateb, M ; Ghitiu, I ; Filipoiu, N ; Torfason, K ; Svavarsson, H G ; Nemnes, G A ; Pintilie, I ; Manolescu, A</creator><creatorcontrib>Brophy, R E ; Kateb, M ; Ghitiu, I ; Filipoiu, N ; Torfason, K ; Svavarsson, H G ; Nemnes, G A ; Pintilie, I ; Manolescu, A</creatorcontrib><description>One of the main degradation mechanisms of methylammonium lead iodine (MAPI), which is an important material for perovskite based solar cells, is the migration of iodide ions. It is believed that this phenomenon is in fact dominated by the diffusion of iodide vacancies. In this paper, we suggest that the addition of a small amount of OH\(^-\) ions can help suppress the migration of iodide and increase the overall stability of the material. Through the use of molecular dynamics simulations, we show that the OH\(^-\) ions can bind to the positively charged iodide vacancies and can block the access of the negative iodide ions into those vacancies.</description><identifier>EISSN: 2331-8422</identifier><identifier>DOI: 10.48550/arxiv.2403.04188</identifier><language>eng</language><publisher>Ithaca: Cornell University Library, arXiv.org</publisher><subject>Dynamic stability ; Iodine ; Molecular dynamics ; Perovskites ; Photovoltaic cells ; Physics - Materials Science ; Solar cells</subject><ispartof>arXiv.org, 2024-03</ispartof><rights>2024. This work is published under http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><rights>http://arxiv.org/licenses/nonexclusive-distrib/1.0</rights><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>228,230,776,780,881,27902</link.rule.ids><backlink>$$Uhttps://doi.org/10.48550/arXiv.2403.04188$$DView paper in arXiv$$Hfree_for_read</backlink><backlink>$$Uhttps://doi.org/10.1109/CAS59036.2023.10303698$$DView published paper (Access to full text may be restricted)$$Hfree_for_read</backlink></links><search><creatorcontrib>Brophy, R E</creatorcontrib><creatorcontrib>Kateb, M</creatorcontrib><creatorcontrib>Ghitiu, I</creatorcontrib><creatorcontrib>Filipoiu, N</creatorcontrib><creatorcontrib>Torfason, K</creatorcontrib><creatorcontrib>Svavarsson, H G</creatorcontrib><creatorcontrib>Nemnes, G A</creatorcontrib><creatorcontrib>Pintilie, I</creatorcontrib><creatorcontrib>Manolescu, A</creatorcontrib><title>OH\(^-\) ions can reduce the iodide migration in MAPI</title><title>arXiv.org</title><description>One of the main degradation mechanisms of methylammonium lead iodine (MAPI), which is an important material for perovskite based solar cells, is the migration of iodide ions. It is believed that this phenomenon is in fact dominated by the diffusion of iodide vacancies. In this paper, we suggest that the addition of a small amount of OH\(^-\) ions can help suppress the migration of iodide and increase the overall stability of the material. Through the use of molecular dynamics simulations, we show that the OH\(^-\) ions can bind to the positively charged iodide vacancies and can block the access of the negative iodide ions into those vacancies.</description><subject>Dynamic stability</subject><subject>Iodine</subject><subject>Molecular dynamics</subject><subject>Perovskites</subject><subject>Photovoltaic cells</subject><subject>Physics - Materials Science</subject><subject>Solar cells</subject><issn>2331-8422</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><sourceid>GOX</sourceid><recordid>eNotj8FKw0AQhhdBsNQ-gCcXvOghcXdmx2yOpWhbqNRDj8WwyW50i03qJhF9e9fW0zDDx_z_x9iVFKnSROLehG__lYISmAoltT5jI0CUiVYAF2zSdTshBDxkQIQjRuvF9vY12d5x3zYdr0zDg7ND5Xj_7uLNeuv43r8F00eA-4Y_T1-Wl-y8Nh-dm_zPMds8PW5mi2S1ni9n01ViCCihSuVZTgiganKlqSUCaoW2dBnmTrrcWinIqVLGvYyQrIgsKS1rC3WFY3Z9ent0Kg7B7034Kf7ciqNbJG5OxCG0n4Pr-mLXDqGJnQqIyZhlUhP-Avu5ToI</recordid><startdate>20240307</startdate><enddate>20240307</enddate><creator>Brophy, R E</creator><creator>Kateb, M</creator><creator>Ghitiu, I</creator><creator>Filipoiu, N</creator><creator>Torfason, K</creator><creator>Svavarsson, H G</creator><creator>Nemnes, G A</creator><creator>Pintilie, I</creator><creator>Manolescu, A</creator><general>Cornell University Library, arXiv.org</general><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>L6V</scope><scope>M7S</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>GOX</scope></search><sort><creationdate>20240307</creationdate><title>OH\(^-\) ions can reduce the iodide migration in MAPI</title><author>Brophy, R E ; Kateb, M ; Ghitiu, I ; Filipoiu, N ; Torfason, K ; Svavarsson, H G ; Nemnes, G A ; Pintilie, I ; Manolescu, A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a525-5c497953224f5ebaf1323843dbe739e1e9dd105e4b1739b4f51c55d5481fd2fc3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Dynamic stability</topic><topic>Iodine</topic><topic>Molecular dynamics</topic><topic>Perovskites</topic><topic>Photovoltaic cells</topic><topic>Physics - Materials Science</topic><topic>Solar cells</topic><toplevel>online_resources</toplevel><creatorcontrib>Brophy, R E</creatorcontrib><creatorcontrib>Kateb, M</creatorcontrib><creatorcontrib>Ghitiu, I</creatorcontrib><creatorcontrib>Filipoiu, N</creatorcontrib><creatorcontrib>Torfason, K</creatorcontrib><creatorcontrib>Svavarsson, H G</creatorcontrib><creatorcontrib>Nemnes, G A</creatorcontrib><creatorcontrib>Pintilie, I</creatorcontrib><creatorcontrib>Manolescu, A</creatorcontrib><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Engineering Collection</collection><collection>Engineering Database</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><collection>arXiv.org</collection><jtitle>arXiv.org</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Brophy, R E</au><au>Kateb, M</au><au>Ghitiu, I</au><au>Filipoiu, N</au><au>Torfason, K</au><au>Svavarsson, H G</au><au>Nemnes, G A</au><au>Pintilie, I</au><au>Manolescu, A</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>OH\(^-\) ions can reduce the iodide migration in MAPI</atitle><jtitle>arXiv.org</jtitle><date>2024-03-07</date><risdate>2024</risdate><eissn>2331-8422</eissn><abstract>One of the main degradation mechanisms of methylammonium lead iodine (MAPI), which is an important material for perovskite based solar cells, is the migration of iodide ions. It is believed that this phenomenon is in fact dominated by the diffusion of iodide vacancies. In this paper, we suggest that the addition of a small amount of OH\(^-\) ions can help suppress the migration of iodide and increase the overall stability of the material. Through the use of molecular dynamics simulations, we show that the OH\(^-\) ions can bind to the positively charged iodide vacancies and can block the access of the negative iodide ions into those vacancies.</abstract><cop>Ithaca</cop><pub>Cornell University Library, arXiv.org</pub><doi>10.48550/arxiv.2403.04188</doi><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | EISSN: 2331-8422 |
| ispartof | arXiv.org, 2024-03 |
| issn | 2331-8422 |
| language | eng |
| recordid | cdi_arxiv_primary_2403_04188 |
| source | arXiv.org; Free E- Journals |
| subjects | Dynamic stability Iodine Molecular dynamics Perovskites Photovoltaic cells Physics - Materials Science Solar cells |
| title | OH\(^-\) ions can reduce the iodide migration in MAPI |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-12T17%3A49%3A06IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_arxiv&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=OH%5C(%5E-%5C)%20ions%20can%20reduce%20the%20iodide%20migration%20in%20MAPI&rft.jtitle=arXiv.org&rft.au=Brophy,%20R%20E&rft.date=2024-03-07&rft.eissn=2331-8422&rft_id=info:doi/10.48550/arxiv.2403.04188&rft_dat=%3Cproquest_arxiv%3E2953377185%3C/proquest_arxiv%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2953377185&rft_id=info:pmid/&rfr_iscdi=true |