Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles
Given the unique and complementary properties of halide perovskites and graphene, it has been a natural step to explore their combination for novel high-performance solar cells. Within this research news the latest theoretical and computational works on interfaces between the prototype perovskite ab...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
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Wiley
2018
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| _version_ | 1797092840177664000 |
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| author | Volonakis, G Giustino, F |
| author_facet | Volonakis, G Giustino, F |
| author_sort | Volonakis, G |
| collection | OXFORD |
| description | Given the unique and complementary properties of halide perovskites and graphene, it has been a natural step to explore their combination for novel high-performance solar cells. Within this research news the latest theoretical and computational works on interfaces between the prototype perovskite absorber methylammonium lead triiodide (CH3NH3PbI3) and graphene related materials (GRMs) are reviewed. In particular, recent works based on quantum-mechanical calculations from first-principles that probe the structural and electronic properties of interfaces between CH3NH3PbI3, pristine graphene, graphene-oxide, and reduced graphene-oxide are reviewed. How these studies investigate the fundamental mechanisms by which GRMs can improve perovskite based photovoltaics, and how these relate to the several available experimental studies that have clearly shown the positive effects of GRMs on both the charge extraction rates, and the stability of perovskite solar cells are discussed. Finally, the main challenges that remain to be addressed in order to model more realistic systems and further unravel the atomic-scale details that underlie the properties of GRM/perovskite interfaces are discussed. |
| first_indexed | 2024-03-07T03:51:47Z |
| format | Journal article |
| id | oxford-uuid:c1862c5e-3fef-43d1-a4ae-a09f1eb326f2 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T03:51:47Z |
| publishDate | 2018 |
| publisher | Wiley |
| record_format | dspace |
| spelling | oxford-uuid:c1862c5e-3fef-43d1-a4ae-a09f1eb326f22022-03-27T06:02:05ZInterfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐PrinciplesJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:c1862c5e-3fef-43d1-a4ae-a09f1eb326f2EnglishSymplectic Elements at OxfordWiley2018Volonakis, GGiustino, FGiven the unique and complementary properties of halide perovskites and graphene, it has been a natural step to explore their combination for novel high-performance solar cells. Within this research news the latest theoretical and computational works on interfaces between the prototype perovskite absorber methylammonium lead triiodide (CH3NH3PbI3) and graphene related materials (GRMs) are reviewed. In particular, recent works based on quantum-mechanical calculations from first-principles that probe the structural and electronic properties of interfaces between CH3NH3PbI3, pristine graphene, graphene-oxide, and reduced graphene-oxide are reviewed. How these studies investigate the fundamental mechanisms by which GRMs can improve perovskite based photovoltaics, and how these relate to the several available experimental studies that have clearly shown the positive effects of GRMs on both the charge extraction rates, and the stability of perovskite solar cells are discussed. Finally, the main challenges that remain to be addressed in order to model more realistic systems and further unravel the atomic-scale details that underlie the properties of GRM/perovskite interfaces are discussed. |
| spellingShingle | Volonakis, G Giustino, F Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles |
| title | Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles |
| title_full | Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles |
| title_fullStr | Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles |
| title_full_unstemmed | Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles |
| title_short | Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles |
| title_sort | interfaces between graphene related materials and mapbi3 insights from first principles |
| work_keys_str_mv | AT volonakisg interfacesbetweengraphenerelatedmaterialsandmapbi3insightsfromfirstprinciples AT giustinof interfacesbetweengraphenerelatedmaterialsandmapbi3insightsfromfirstprinciples |