Assessment of Hybrid Organic–Inorganic Antimony Sulfides for Earth-Abundant Photovoltaic Applications
Hybrid organic–inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess the potential of three Sb-based semiconductors: (i) Sb2S3, (ii) Cs2Sb8S13, and (iii) (CH3NH3)2Sb8S13. While the crystal structure of Sb2S3 is c...
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| Published in | The journal of physical chemistry letters Vol. 6; no. 24; pp. 5009 - 5014 |
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| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
American Chemical Society
17.12.2015
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1948-7185 1948-7185 |
| DOI | 10.1021/acs.jpclett.5b02555 |
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| Abstract | Hybrid organic–inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess the potential of three Sb-based semiconductors: (i) Sb2S3, (ii) Cs2Sb8S13, and (iii) (CH3NH3)2Sb8S13. While the crystal structure of Sb2S3 is composed of 1D chains, 2D layers are formed in the ternary cesium and hybrid methylammonium antimony sulfide compounds. In each case, a stereochemically active Sb 5s2 lone pair is found, resulting in a distorted coordination environment for the Sb cations. The bandgap of the binary sulfide is found to increase, while the ionization potential also changes, upon transition to the more complex compounds. Based on the predicted electronic structure, device configurations are suggested to be suitable for photovoltaic applications. |
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| AbstractList | Hybrid organic–inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess the potential of three Sb-based semiconductors: (i) Sb2S3, (ii) Cs2Sb8S13, and (iii) (CH3NH3)2Sb8S13. While the crystal structure of Sb2S3 is composed of 1D chains, 2D layers are formed in the ternary cesium and hybrid methylammonium antimony sulfide compounds. In each case, a stereochemically active Sb 5s2 lone pair is found, resulting in a distorted coordination environment for the Sb cations. The bandgap of the binary sulfide is found to increase, while the ionization potential also changes, upon transition to the more complex compounds. Based on the predicted electronic structure, device configurations are suggested to be suitable for photovoltaic applications. Hybrid organic-inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess the potential of three Sb-based semiconductors: (i) Sb2S3, (ii) Cs2Sb8S13, and (iii) (CH3NH3)2Sb8S13. While the crystal structure of Sb2S3 is composed of 1D chains, 2D layers are formed in the ternary cesium and hybrid methylammonium antimony sulfide compounds. In each case, a stereochemically active Sb 5s(2) lone pair is found, resulting in a distorted coordination environment for the Sb cations. The bandgap of the binary sulfide is found to increase, while the ionization potential also changes, upon transition to the more complex compounds. Based on the predicted electronic structure, device configurations are suggested to be suitable for photovoltaic applications. Hybrid organic-inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess the potential of three Sb-based semiconductors: (i) Sb2S3, (ii) Cs2Sb8S13, and (iii) (CH3NH3)2Sb8S13. While the crystal structure of Sb2S3 is composed of 1D chains, 2D layers are formed in the ternary cesium and hybrid methylammonium antimony sulfide compounds. In each case, a stereochemically active Sb 5s(2) lone pair is found, resulting in a distorted coordination environment for the Sb cations. The bandgap of the binary sulfide is found to increase, while the ionization potential also changes, upon transition to the more complex compounds. Based on the predicted electronic structure, device configurations are suggested to be suitable for photovoltaic applications.Hybrid organic-inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess the potential of three Sb-based semiconductors: (i) Sb2S3, (ii) Cs2Sb8S13, and (iii) (CH3NH3)2Sb8S13. While the crystal structure of Sb2S3 is composed of 1D chains, 2D layers are formed in the ternary cesium and hybrid methylammonium antimony sulfide compounds. In each case, a stereochemically active Sb 5s(2) lone pair is found, resulting in a distorted coordination environment for the Sb cations. The bandgap of the binary sulfide is found to increase, while the ionization potential also changes, upon transition to the more complex compounds. Based on the predicted electronic structure, device configurations are suggested to be suitable for photovoltaic applications. |
| Author | Walsh, Aron Butler, Keith T Yang, Ruo Xi |
| AuthorAffiliation | University of Bath Global E Yonsei University Institute and Department of Materials Science and Engineering Centre for Sustainable Chemical Technologies and Department of Chemistry |
| AuthorAffiliation_xml | – name: Centre for Sustainable Chemical Technologies and Department of Chemistry – name: University of Bath – name: Global E – name: Institute and Department of Materials Science and Engineering – name: Yonsei University |
| Author_xml | – sequence: 1 givenname: Ruo Xi surname: Yang fullname: Yang, Ruo Xi – sequence: 2 givenname: Keith T surname: Butler fullname: Butler, Keith T – sequence: 3 givenname: Aron surname: Walsh fullname: Walsh, Aron email: a.walsh@bath.ac.uk |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/26624204$$D View this record in MEDLINE/PubMed |
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| Keywords | perovskites organic−inorganic solar absorbers solar cells semiconductors |
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| Snippet | Hybrid organic–inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess... Hybrid organic-inorganic solar absorbers are currently the subject of intense interest; however, the highest-performing materials contain Pb. Here we assess... |
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| Title | Assessment of Hybrid Organic–Inorganic Antimony Sulfides for Earth-Abundant Photovoltaic Applications |
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