Optoelectronic properties of type-II SePtTe/InS van der Waals heterojunction
Constructing van der Waals (vdW) heterojunctions via stacking different two-dimensional materials is an effective approach to obtain desirable properties. By using the first-principles calculation, we explore the vdW heterojunction based on the Janus structure of the 1T-PtTe2 for the potential appli...
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| Veröffentlicht in: | Journal of applied physics 2020-07, Vol.128 (4) |
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| creator | Ren, Jialuo Zhang, Chunxiao He, Chaoyu Ouyang, Tao Li, Jin Tang, Chao Zhong, Jianxin |
| description | Constructing van der Waals (vdW) heterojunctions via stacking different two-dimensional materials is an effective approach to obtain desirable properties. By using the first-principles calculation, we explore the vdW heterojunction based on the Janus structure of the 1T-PtTe2 for the potential application in the excitonic solar cell. The SePtTe/InS vdW heterojunction is found to be an appropriate material with direct bandgap, high carrier mobility, high optical absorption, and staggered type-II band alignment. The donor bandgap is 1.08 eV in the Heyd–Scuseria–Ernzerhof (HSE) level. The optoelectronic properties are effectively modulated by both external electric field and vertical strain because inducing the redistribution of charge density in the interlayer. Within the HSE hybrid density functional, the donor bandgap can be tunable up to 1.38 eV. The high power conversion efficiency is tunable to 24.91%, while the flux of absorbed photons keeps beyond 4.41 mA/cm2. Our results indicate the potential application of the SePtTe/InS heterojunction in solar cell utilization. |
| doi_str_mv | 10.1063/5.0007359 |
| format | Article |
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By using the first-principles calculation, we explore the vdW heterojunction based on the Janus structure of the 1T-PtTe2 for the potential application in the excitonic solar cell. The SePtTe/InS vdW heterojunction is found to be an appropriate material with direct bandgap, high carrier mobility, high optical absorption, and staggered type-II band alignment. The donor bandgap is 1.08 eV in the Heyd–Scuseria–Ernzerhof (HSE) level. The optoelectronic properties are effectively modulated by both external electric field and vertical strain because inducing the redistribution of charge density in the interlayer. Within the HSE hybrid density functional, the donor bandgap can be tunable up to 1.38 eV. The high power conversion efficiency is tunable to 24.91%, while the flux of absorbed photons keeps beyond 4.41 mA/cm2. Our results indicate the potential application of the SePtTe/InS heterojunction in solar cell utilization.</description><identifier>ISSN: 0021-8979</identifier><identifier>EISSN: 1089-7550</identifier><identifier>DOI: 10.1063/5.0007359</identifier><identifier>CODEN: JAPIAU</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Applied physics ; Carrier mobility ; Charge density ; Electric fields ; Energy conversion efficiency ; Energy gap ; First principles ; Heterojunctions ; Interlayers ; Optoelectronics ; Photovoltaic cells ; Properties (attributes) ; Solar cells ; Two dimensional materials</subject><ispartof>Journal of applied physics, 2020-07, Vol.128 (4)</ispartof><rights>Author(s)</rights><rights>2020 Author(s). 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By using the first-principles calculation, we explore the vdW heterojunction based on the Janus structure of the 1T-PtTe2 for the potential application in the excitonic solar cell. The SePtTe/InS vdW heterojunction is found to be an appropriate material with direct bandgap, high carrier mobility, high optical absorption, and staggered type-II band alignment. The donor bandgap is 1.08 eV in the Heyd–Scuseria–Ernzerhof (HSE) level. The optoelectronic properties are effectively modulated by both external electric field and vertical strain because inducing the redistribution of charge density in the interlayer. Within the HSE hybrid density functional, the donor bandgap can be tunable up to 1.38 eV. The high power conversion efficiency is tunable to 24.91%, while the flux of absorbed photons keeps beyond 4.41 mA/cm2. Our results indicate the potential application of the SePtTe/InS heterojunction in solar cell utilization.</description><subject>Applied physics</subject><subject>Carrier mobility</subject><subject>Charge density</subject><subject>Electric fields</subject><subject>Energy conversion efficiency</subject><subject>Energy gap</subject><subject>First principles</subject><subject>Heterojunctions</subject><subject>Interlayers</subject><subject>Optoelectronics</subject><subject>Photovoltaic cells</subject><subject>Properties (attributes)</subject><subject>Solar cells</subject><subject>Two dimensional materials</subject><issn>0021-8979</issn><issn>1089-7550</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNqd0E1LAzEQBuAgCtbqwX8Q8KSw7STbZHePUvxYKFRoxWNIshPcUjdrkhb6791SwbungeFhPl5CbhlMGMh8KiYAUOSiOiMjBmWVFULAORkBcJaVVVFdkqsYNwCMlXk1Iotlnzxu0abgu9bSPvgeQ2oxUu9oOvSY1TVd4Vta47TuVnSvO9pgoB9abyP9xITBb3adTa3vrsmFG7p481vH5P35aT1_zRbLl3r-uMhszouUWcOBa7RCMycbyRk2RpbGaSGNtgYczipuQFbAGjuzUEpnQThtZlw6NEU-JnenucO13zuMSW38LnTDSsUHk3NelmJQ9ydlg48xoFN9aL90OCgG6hiWEuo3rME-nGy0bdLHX_6H9z78QdU3Lv8BAGV4mw</recordid><startdate>20200728</startdate><enddate>20200728</enddate><creator>Ren, Jialuo</creator><creator>Zhang, Chunxiao</creator><creator>He, Chaoyu</creator><creator>Ouyang, Tao</creator><creator>Li, Jin</creator><creator>Tang, Chao</creator><creator>Zhong, Jianxin</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><orcidid>https://orcid.org/0000-0002-2780-0185</orcidid><orcidid>https://orcid.org/0000-0003-3562-4537</orcidid><orcidid>https://orcid.org/0000-0003-2310-354X</orcidid><orcidid>https://orcid.org/0000-0003-0748-4274</orcidid><orcidid>https://orcid.org/0000-0003-3741-0444</orcidid></search><sort><creationdate>20200728</creationdate><title>Optoelectronic properties of type-II SePtTe/InS van der Waals heterojunction</title><author>Ren, Jialuo ; Zhang, Chunxiao ; He, Chaoyu ; Ouyang, Tao ; Li, Jin ; Tang, Chao ; Zhong, Jianxin</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c327t-cb202aec5a1f6d621edb68bfa56bacb0fe492b06901dc4c086fc05fab426feb73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Applied physics</topic><topic>Carrier mobility</topic><topic>Charge density</topic><topic>Electric fields</topic><topic>Energy conversion efficiency</topic><topic>Energy gap</topic><topic>First principles</topic><topic>Heterojunctions</topic><topic>Interlayers</topic><topic>Optoelectronics</topic><topic>Photovoltaic cells</topic><topic>Properties (attributes)</topic><topic>Solar cells</topic><topic>Two dimensional materials</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ren, Jialuo</creatorcontrib><creatorcontrib>Zhang, Chunxiao</creatorcontrib><creatorcontrib>He, Chaoyu</creatorcontrib><creatorcontrib>Ouyang, Tao</creatorcontrib><creatorcontrib>Li, Jin</creatorcontrib><creatorcontrib>Tang, Chao</creatorcontrib><creatorcontrib>Zhong, Jianxin</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of applied physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ren, Jialuo</au><au>Zhang, Chunxiao</au><au>He, Chaoyu</au><au>Ouyang, Tao</au><au>Li, Jin</au><au>Tang, Chao</au><au>Zhong, Jianxin</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Optoelectronic properties of type-II SePtTe/InS van der Waals heterojunction</atitle><jtitle>Journal of applied physics</jtitle><date>2020-07-28</date><risdate>2020</risdate><volume>128</volume><issue>4</issue><issn>0021-8979</issn><eissn>1089-7550</eissn><coden>JAPIAU</coden><abstract>Constructing van der Waals (vdW) heterojunctions via stacking different two-dimensional materials is an effective approach to obtain desirable properties. By using the first-principles calculation, we explore the vdW heterojunction based on the Janus structure of the 1T-PtTe2 for the potential application in the excitonic solar cell. The SePtTe/InS vdW heterojunction is found to be an appropriate material with direct bandgap, high carrier mobility, high optical absorption, and staggered type-II band alignment. The donor bandgap is 1.08 eV in the Heyd–Scuseria–Ernzerhof (HSE) level. The optoelectronic properties are effectively modulated by both external electric field and vertical strain because inducing the redistribution of charge density in the interlayer. Within the HSE hybrid density functional, the donor bandgap can be tunable up to 1.38 eV. The high power conversion efficiency is tunable to 24.91%, while the flux of absorbed photons keeps beyond 4.41 mA/cm2. 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| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Applied physics Carrier mobility Charge density Electric fields Energy conversion efficiency Energy gap First principles Heterojunctions Interlayers Optoelectronics Photovoltaic cells Properties (attributes) Solar cells Two dimensional materials |
| title | Optoelectronic properties of type-II SePtTe/InS van der Waals heterojunction |
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