Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructures
Summary: Van der Waals heterostructures (vdWHs) showcase robust and tunable light-matter interactions, establishing an intriguing realm for investigating atomic-scale photocatalytic properties. Here, we employ ab initio methods to study the photocatalytic and optical properties of semiconducting SiP...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-10-01
|
| Series: | iScience |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2589004223021028 |
| _version_ | 1827781715898138624 |
|---|---|
| author | Anwar Ali Ismail Shahid Iqtidar Ahmad Bin Lu Haitao Zhang Wen Zhang Ping Kwan Johnny Wong |
| author_facet | Anwar Ali Ismail Shahid Iqtidar Ahmad Bin Lu Haitao Zhang Wen Zhang Ping Kwan Johnny Wong |
| author_sort | Anwar Ali |
| collection | DOAJ |
| description | Summary: Van der Waals heterostructures (vdWHs) showcase robust and tunable light-matter interactions, establishing an intriguing realm for investigating atomic-scale photocatalytic properties. Here, we employ ab initio methods to study the photocatalytic and optical properties of semiconducting SiPGaS/arsenene-based vdWHs with a type-II band alignment. Across the heterointerfaces, there exists significant built-in electric fields and large potential drop, in turn facilitating the spatial separation of photo-generated electron-hole pairs. These vdWHs further possess high carrier mobility in the order of 102 cm2V⁻1S⁻1, which combining with appropriate band edge positions, endow the vdWHs an absorption coefficient of ∼10⁵ cm⁻1 to harvest a maximal portion of the solar spectrum for visible-light-driven photocatalytic applications. Our findings also reveal transition of the type-II band alignment in a type-III configuration via compressive strain for tunneling field-effect transistor application. Furthermore, both types of vdWHs exhibit enhanced suitability for photocatalysis under conditions with a pH of 2. |
| first_indexed | 2024-03-11T15:22:43Z |
| format | Article |
| id | doaj.art-f790242114544d7aad2abbf721dad2fd |
| institution | Directory Open Access Journal |
| issn | 2589-0042 |
| language | English |
| last_indexed | 2024-03-11T15:22:43Z |
| publishDate | 2023-10-01 |
| publisher | Elsevier |
| record_format | Article |
| series | iScience |
| spelling | doaj.art-f790242114544d7aad2abbf721dad2fd2023-10-28T05:09:20ZengElsevieriScience2589-00422023-10-012610108025Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructuresAnwar Ali0Ismail Shahid1Iqtidar Ahmad2Bin Lu3Haitao Zhang4Wen Zhang5Ping Kwan Johnny Wong6ARTIST Lab for Artificial Electronic Materials & Technologies, School of Microelectronics, Northwestern Polytechnical University, Xi’an 710072, Shaanxi, P.R. China; Yangtze River Delta Research Institute of Northwestern Polytechnical University, Taicang 215400, P.R. ChinaSchool of Materials Science and Engineering, Institute of New Energy Material Chemistry, Renewable Energy Conversion and Storage Centre (ReCast), Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Nankai University, Tianjin 300350, P.R. ChinaCollege of Materials Science and Engineering, Shenzhen University, Shenzhen 518060, P.R. ChinaARTIST Lab for Artificial Electronic Materials & Technologies, School of Microelectronics, Northwestern Polytechnical University, Xi’an 710072, Shaanxi, P.R. China; Yangtze River Delta Research Institute of Northwestern Polytechnical University, Taicang 215400, P.R. China; NPU Chongqing Technology Innovation Center, Chongqing 400000, P.R. ChinaARTIST Lab for Artificial Electronic Materials & Technologies, School of Microelectronics, Northwestern Polytechnical University, Xi’an 710072, Shaanxi, P.R. China; Yangtze River Delta Research Institute of Northwestern Polytechnical University, Taicang 215400, P.R. ChinaARTIST Lab for Artificial Electronic Materials & Technologies, School of Microelectronics, Northwestern Polytechnical University, Xi’an 710072, Shaanxi, P.R. China; Yangtze River Delta Research Institute of Northwestern Polytechnical University, Taicang 215400, P.R. China; Corresponding authorARTIST Lab for Artificial Electronic Materials & Technologies, School of Microelectronics, Northwestern Polytechnical University, Xi’an 710072, Shaanxi, P.R. China; Yangtze River Delta Research Institute of Northwestern Polytechnical University, Taicang 215400, P.R. China; NPU Chongqing Technology Innovation Center, Chongqing 400000, P.R. China; Corresponding authorSummary: Van der Waals heterostructures (vdWHs) showcase robust and tunable light-matter interactions, establishing an intriguing realm for investigating atomic-scale photocatalytic properties. Here, we employ ab initio methods to study the photocatalytic and optical properties of semiconducting SiPGaS/arsenene-based vdWHs with a type-II band alignment. Across the heterointerfaces, there exists significant built-in electric fields and large potential drop, in turn facilitating the spatial separation of photo-generated electron-hole pairs. These vdWHs further possess high carrier mobility in the order of 102 cm2V⁻1S⁻1, which combining with appropriate band edge positions, endow the vdWHs an absorption coefficient of ∼10⁵ cm⁻1 to harvest a maximal portion of the solar spectrum for visible-light-driven photocatalytic applications. Our findings also reveal transition of the type-II band alignment in a type-III configuration via compressive strain for tunneling field-effect transistor application. Furthermore, both types of vdWHs exhibit enhanced suitability for photocatalysis under conditions with a pH of 2.http://www.sciencedirect.com/science/article/pii/S2589004223021028Materials scienceMaterials chemistryComputational materials scienceOptical materials |
| spellingShingle | Anwar Ali Ismail Shahid Iqtidar Ahmad Bin Lu Haitao Zhang Wen Zhang Ping Kwan Johnny Wong Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructures iScience Materials science Materials chemistry Computational materials science Optical materials |
| title | Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructures |
| title_full | Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructures |
| title_fullStr | Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructures |
| title_full_unstemmed | Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructures |
| title_short | Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructures |
| title_sort | enhanced visible light driven photocatalytic activity in sipgas arsenene based van der waals heterostructures |
| topic | Materials science Materials chemistry Computational materials science Optical materials |
| url | http://www.sciencedirect.com/science/article/pii/S2589004223021028 |
| work_keys_str_mv | AT anwarali enhancedvisiblelightdrivenphotocatalyticactivityinsipgasarsenenebasedvanderwaalsheterostructures AT ismailshahid enhancedvisiblelightdrivenphotocatalyticactivityinsipgasarsenenebasedvanderwaalsheterostructures AT iqtidarahmad enhancedvisiblelightdrivenphotocatalyticactivityinsipgasarsenenebasedvanderwaalsheterostructures AT binlu enhancedvisiblelightdrivenphotocatalyticactivityinsipgasarsenenebasedvanderwaalsheterostructures AT haitaozhang enhancedvisiblelightdrivenphotocatalyticactivityinsipgasarsenenebasedvanderwaalsheterostructures AT wenzhang enhancedvisiblelightdrivenphotocatalyticactivityinsipgasarsenenebasedvanderwaalsheterostructures AT pingkwanjohnnywong enhancedvisiblelightdrivenphotocatalyticactivityinsipgasarsenenebasedvanderwaalsheterostructures |