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Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study
This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs). The criteria for appropriate HTMs were evaluated, including solubility, hole mobility, light harvesting...
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| Published in: | RSC advances 2023-10, Vol.13 (42), p.29163-29173 |
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| Main Authors: | , , , , , , , |
| Format: | Article |
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| cited_by | cdi_FETCH-LOGICAL-c406t-9dd05eb4ccf0ebc5689c39a0636a3655f3002acb463e182d7c1cb293699c9e9e3 |
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| cites | cdi_FETCH-LOGICAL-c406t-9dd05eb4ccf0ebc5689c39a0636a3655f3002acb463e182d7c1cb293699c9e9e3 |
| container_end_page | 29173 |
| container_issue | 42 |
| container_start_page | 29163 |
| container_title | RSC advances |
| container_volume | 13 |
| creator | Kumar, Anjan Sayyed, M. I Punina, Diego Naranjo, Eugenia Jácome, Edwin Abdulameer, Maha Khalid Albazoni, Hamza Jasim Shariatinia, Zahra |
| description | This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs). The criteria for appropriate HTMs were evaluated, including solubility, hole mobility, light harvesting efficiency (LHE), exciton binding energy (
E
b
), hole reorganization energy (
λ
h
), hole mobility, and HTM performance. It was found that several of the compounds had higher hole mobility than Spiro-OMeTAD, a commonly used HTM in PSCs. The open circuit voltage and fill factor of the suitable GQD and GQD-3Xs were found to be within appropriate ranges for HTM performance in MAPbI
3
PSCs. GQD-COOH and GQD-COOCH
3
were identified as the most suitable HTMs due to their high solubility, small
λ
h
, and appropriate performance.
This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs). |
| doi_str_mv | 10.1039/d3ra05438a |
| format | article |
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E
b
), hole reorganization energy (
λ
h
), hole mobility, and HTM performance. It was found that several of the compounds had higher hole mobility than Spiro-OMeTAD, a commonly used HTM in PSCs. The open circuit voltage and fill factor of the suitable GQD and GQD-3Xs were found to be within appropriate ranges for HTM performance in MAPbI
3
PSCs. GQD-COOH and GQD-COOCH
3
were identified as the most suitable HTMs due to their high solubility, small
λ
h
, and appropriate performance.
This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs).</description><identifier>ISSN: 2046-2069</identifier><identifier>EISSN: 2046-2069</identifier><identifier>DOI: 10.1039/d3ra05438a</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Chemistry ; Excitons ; Graphene ; Hole mobility ; Open circuit voltage ; Perovskites ; Photovoltaic cells ; Quantum dots ; Solar cells ; Solubility</subject><ispartof>RSC advances, 2023-10, Vol.13 (42), p.29163-29173</ispartof><rights>Copyright Royal Society of Chemistry 2023</rights><rights>This journal is © The Royal Society of Chemistry 2023 The Royal Society of Chemistry</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c406t-9dd05eb4ccf0ebc5689c39a0636a3655f3002acb463e182d7c1cb293699c9e9e3</citedby><cites>FETCH-LOGICAL-c406t-9dd05eb4ccf0ebc5689c39a0636a3655f3002acb463e182d7c1cb293699c9e9e3</cites><orcidid>0000-0002-0451-6042 ; 0000-0001-8533-6563</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10549873/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10549873/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,885,27924,27925,53791,53793</link.rule.ids></links><search><creatorcontrib>Kumar, Anjan</creatorcontrib><creatorcontrib>Sayyed, M. I</creatorcontrib><creatorcontrib>Punina, Diego</creatorcontrib><creatorcontrib>Naranjo, Eugenia</creatorcontrib><creatorcontrib>Jácome, Edwin</creatorcontrib><creatorcontrib>Abdulameer, Maha Khalid</creatorcontrib><creatorcontrib>Albazoni, Hamza Jasim</creatorcontrib><creatorcontrib>Shariatinia, Zahra</creatorcontrib><title>Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study</title><title>RSC advances</title><description>This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs). The criteria for appropriate HTMs were evaluated, including solubility, hole mobility, light harvesting efficiency (LHE), exciton binding energy (
E
b
), hole reorganization energy (
λ
h
), hole mobility, and HTM performance. It was found that several of the compounds had higher hole mobility than Spiro-OMeTAD, a commonly used HTM in PSCs. The open circuit voltage and fill factor of the suitable GQD and GQD-3Xs were found to be within appropriate ranges for HTM performance in MAPbI
3
PSCs. GQD-COOH and GQD-COOCH
3
were identified as the most suitable HTMs due to their high solubility, small
λ
h
, and appropriate performance.
This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs).</description><subject>Chemistry</subject><subject>Excitons</subject><subject>Graphene</subject><subject>Hole mobility</subject><subject>Open circuit voltage</subject><subject>Perovskites</subject><subject>Photovoltaic cells</subject><subject>Quantum dots</subject><subject>Solar cells</subject><subject>Solubility</subject><issn>2046-2069</issn><issn>2046-2069</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNpdkk9v1DAQxSMEElXbC3ckS1wKUsCOEyfmglZduiBVQqDlHE3sya5LYqe2U7R8n35PvLtV-eOLn_R-euOZcZa9YPQto1y-09wDrUrewJPspKClyAsq5NO_9PPsPIQbmo6oWCHYSXa_8jBt0SK5ncHGeSTaxUAuVl-XrwlYTVBvMO9nq6JxFgbzCzVJZiAQyNYNSKIHGybnIxkhojcwBGIsmdC7u_DDRCTBDeCJwiE5vfNk8k7PytgN8anwT-hSShJ-s3tPgCyv1ofC62W-lyHOeneWPetTLp4_3KfZ96uP68tP-fWX1efLxXWuSipiLrWmFXalUj3FTlWikYpLoIIL4KKqek5pAaorBUfWFLpWTHWF5EJKJVEiP80-HHOnuRtRK7Spu6GdvBnB71oHpv3XsWbbbtxdy9LcZVPzlHDxkODd7YwhtqMJ-9bBoptDWzR1WQhRU5bQV_-hN272acYHqqrrsuFNot4cKeVdCB77x9cw2u7X3i75t8Vh7YsEvzzCPqhH7s-34L8BiCirtQ</recordid><startdate>20231004</startdate><enddate>20231004</enddate><creator>Kumar, Anjan</creator><creator>Sayyed, M. I</creator><creator>Punina, Diego</creator><creator>Naranjo, Eugenia</creator><creator>Jácome, Edwin</creator><creator>Abdulameer, Maha Khalid</creator><creator>Albazoni, Hamza Jasim</creator><creator>Shariatinia, Zahra</creator><general>Royal Society of Chemistry</general><general>The Royal Society of Chemistry</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0002-0451-6042</orcidid><orcidid>https://orcid.org/0000-0001-8533-6563</orcidid></search><sort><creationdate>20231004</creationdate><title>Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study</title><author>Kumar, Anjan ; Sayyed, M. I ; Punina, Diego ; Naranjo, Eugenia ; Jácome, Edwin ; Abdulameer, Maha Khalid ; Albazoni, Hamza Jasim ; Shariatinia, Zahra</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c406t-9dd05eb4ccf0ebc5689c39a0636a3655f3002acb463e182d7c1cb293699c9e9e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Chemistry</topic><topic>Excitons</topic><topic>Graphene</topic><topic>Hole mobility</topic><topic>Open circuit voltage</topic><topic>Perovskites</topic><topic>Photovoltaic cells</topic><topic>Quantum dots</topic><topic>Solar cells</topic><topic>Solubility</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kumar, Anjan</creatorcontrib><creatorcontrib>Sayyed, M. I</creatorcontrib><creatorcontrib>Punina, Diego</creatorcontrib><creatorcontrib>Naranjo, Eugenia</creatorcontrib><creatorcontrib>Jácome, Edwin</creatorcontrib><creatorcontrib>Abdulameer, Maha Khalid</creatorcontrib><creatorcontrib>Albazoni, Hamza Jasim</creatorcontrib><creatorcontrib>Shariatinia, Zahra</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>RSC advances</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kumar, Anjan</au><au>Sayyed, M. I</au><au>Punina, Diego</au><au>Naranjo, Eugenia</au><au>Jácome, Edwin</au><au>Abdulameer, Maha Khalid</au><au>Albazoni, Hamza Jasim</au><au>Shariatinia, Zahra</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study</atitle><jtitle>RSC advances</jtitle><date>2023-10-04</date><risdate>2023</risdate><volume>13</volume><issue>42</issue><spage>29163</spage><epage>29173</epage><pages>29163-29173</pages><issn>2046-2069</issn><eissn>2046-2069</eissn><abstract>This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs). The criteria for appropriate HTMs were evaluated, including solubility, hole mobility, light harvesting efficiency (LHE), exciton binding energy (
E
b
), hole reorganization energy (
λ
h
), hole mobility, and HTM performance. It was found that several of the compounds had higher hole mobility than Spiro-OMeTAD, a commonly used HTM in PSCs. The open circuit voltage and fill factor of the suitable GQD and GQD-3Xs were found to be within appropriate ranges for HTM performance in MAPbI
3
PSCs. GQD-COOH and GQD-COOCH
3
were identified as the most suitable HTMs due to their high solubility, small
λ
h
, and appropriate performance.
This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs).</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/d3ra05438a</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0002-0451-6042</orcidid><orcidid>https://orcid.org/0000-0001-8533-6563</orcidid><oa>free_for_read</oa></addata></record> |
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| identifier | ISSN: 2046-2069 |
| ispartof | RSC advances, 2023-10, Vol.13 (42), p.29163-29173 |
| issn | 2046-2069 2046-2069 |
| language | eng |
| recordid | cdi_rsc_primary_d3ra05438a |
| source | PubMed Central Free |
| subjects | Chemistry Excitons Graphene Hole mobility Open circuit voltage Perovskites Photovoltaic cells Quantum dots Solar cells Solubility |
| title | Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study |
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