Charge Carrier Transport in Iron Pyrite Thin Films: Disorder-Induced Variable-Range Hopping
The origin of p-type conductivity and the mechanism responsible for low carrier mobility were investigated in pyrite (FeS2) thin films. Temperature-dependent resistivity measurements (10–400 K) were performed on polycrystalline and nanostructured thin films prepared by three different methods: (1) s...
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| Published in | Journal of physical chemistry. C Vol. 127; no. 37; pp. 18619 - 18629 |
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| Main Authors | , , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
American Chemical Society
21.09.2023
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| ISSN | 1932-7447 1932-7455 |
| DOI | 10.1021/acs.jpcc.3c03105 |
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| Abstract | The origin of p-type conductivity and the mechanism responsible for low carrier mobility were investigated in pyrite (FeS2) thin films. Temperature-dependent resistivity measurements (10–400 K) were performed on polycrystalline and nanostructured thin films prepared by three different methods: (1) spray pyrolysis, (2) hot-injection synthesized and spin-coated nanocubes, and (3) pulsed laser deposition. The films have a high hole density (1018–1019) cm–3 and low mobility (0.1–4 cm2 V–1 s–1) regardless of the method used for their preparation. The charge transport mechanism is determined to be thermally activated conduction (TAC) at near room temperature, with Mott-type variable-range hopping (VRH) of holes via localized states occurring at lower temperatures. The density functional theory (DFT) predicts that sulfur vacancy induces localized defect states within the band gap and the charge remains localized around the defect. The data indicates that the electronic properties including hopping transport in pyrite thin films can be correlated to sulfur vacancy-related defects. The results provide insights into the electronic properties of pyrite thin films and their implications for charge transport. |
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| AbstractList | Here, the origin of p-type conductivity and the mechanism responsible for low carrier mobility were investigated in pyrite (FeS2) thin films. Temperature-dependent resistivity measurements (10-400 K) were performed on polycrystalline and nanostructured thin films prepared by three different methods: (1) spray pyrolysis, (2) hot-injection synthesized and spin-coated nanocubes, and (3) pulsed laser deposition. The films have a high hole density (1018-1019) cm-3 and low mobility (0.1-4 cm2 V-1 s-1) regardless of the method used for their preparation. The charge transport mechanism is determined to be thermally activated conduction (TAC) at near room temperature, with Mott-type variable-range hopping (VRH) of holes via localized states occurring at lower temperatures. The density functional theory (DFT) predicts that sulfur vacancy induces localized defect states within the band gap and the charge remains localized around the defect. The data indicates that the electronic properties including hopping transport in pyrite thin films can be correlated to sulfur vacancy-related defects. The results provide insights into the electronic properties of pyrite thin films and their implications for charge transport. The origin of p-type conductivity and the mechanism responsible for low carrier mobility were investigated in pyrite (FeS2) thin films. Temperature-dependent resistivity measurements (10–400 K) were performed on polycrystalline and nanostructured thin films prepared by three different methods: (1) spray pyrolysis, (2) hot-injection synthesized and spin-coated nanocubes, and (3) pulsed laser deposition. The films have a high hole density (1018–1019) cm–3 and low mobility (0.1–4 cm2 V–1 s–1) regardless of the method used for their preparation. The charge transport mechanism is determined to be thermally activated conduction (TAC) at near room temperature, with Mott-type variable-range hopping (VRH) of holes via localized states occurring at lower temperatures. The density functional theory (DFT) predicts that sulfur vacancy induces localized defect states within the band gap and the charge remains localized around the defect. The data indicates that the electronic properties including hopping transport in pyrite thin films can be correlated to sulfur vacancy-related defects. The results provide insights into the electronic properties of pyrite thin films and their implications for charge transport. |
| Author | Choe, Hwan Sung Kühne, Thomas D. Venkatesan, Thirumalai Shukla, Sudhanshu Sritharan, Thirumany Mirhosseini, Hossein Ager, Joel W. Chugh, Manjusha Mathew, Sinu Wu, Junqiao |
| AuthorAffiliation | School of Materials Science and Engineering Nanyang Technological University NUSNNI-NanoCore Lawrence Berkeley National Laboratory Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry Department of Materials Science and Engineering Berkeley Educational Alliance for Research in Singapore (BEARS), Ltd Materials Sciences Division |
| AuthorAffiliation_xml | – name: Berkeley Educational Alliance for Research in Singapore (BEARS), Ltd – name: Lawrence Berkeley National Laboratory – name: School of Materials Science and Engineering – name: NUSNNI-NanoCore – name: Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry – name: Nanyang Technological University – name: Department of Materials Science and Engineering – name: Materials Sciences Division |
| Author_xml | – sequence: 1 givenname: Sudhanshu orcidid: 0000-0001-8233-6963 surname: Shukla fullname: Shukla, Sudhanshu email: Sudhanshu.shukla@imec.be organization: Nanyang Technological University – sequence: 2 givenname: Sinu surname: Mathew fullname: Mathew, Sinu organization: NUSNNI-NanoCore – sequence: 3 givenname: Hwan Sung surname: Choe fullname: Choe, Hwan Sung organization: Lawrence Berkeley National Laboratory – sequence: 4 givenname: Manjusha orcidid: 0000-0002-9498-1078 surname: Chugh fullname: Chugh, Manjusha organization: Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry – sequence: 5 givenname: Thomas D. surname: Kühne fullname: Kühne, Thomas D. organization: Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry – sequence: 6 givenname: Hossein orcidid: 0000-0001-6179-1545 surname: Mirhosseini fullname: Mirhosseini, Hossein organization: Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry – sequence: 7 givenname: Junqiao orcidid: 0000-0002-1498-0148 surname: Wu fullname: Wu, Junqiao organization: Berkeley Educational Alliance for Research in Singapore (BEARS), Ltd – sequence: 8 givenname: Thirumalai surname: Venkatesan fullname: Venkatesan, Thirumalai organization: NUSNNI-NanoCore – sequence: 9 givenname: Thirumany orcidid: 0000-0002-6683-3924 surname: Sritharan fullname: Sritharan, Thirumany organization: Nanyang Technological University – sequence: 10 givenname: Joel W. orcidid: 0000-0001-9334-9751 surname: Ager fullname: Ager, Joel W. email: jwager@lbl.gov organization: Berkeley Educational Alliance for Research in Singapore (BEARS), Ltd |
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| Snippet | The origin of p-type conductivity and the mechanism responsible for low carrier mobility were investigated in pyrite (FeS2) thin films. Temperature-dependent... Here, the origin of p-type conductivity and the mechanism responsible for low carrier mobility were investigated in pyrite (FeS2) thin films.... |
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| SubjectTerms | C: Physical Properties of Materials and Interfaces charge transport conduction mechanism defects iron pyrite MATERIALS SCIENCE solar cells thin films |
| Title | Charge Carrier Transport in Iron Pyrite Thin Films: Disorder-Induced Variable-Range Hopping |
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