First-principles study on the elastic, electronic and photocatalytic properties of multiferroic material InFeO3 under strain
| العنوان: | First-principles study on the elastic, electronic and photocatalytic properties of multiferroic material InFeO3 under strain |
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| المؤلفون: | Xing-Yuan Chen, Xiang-Fu Xu, Guo-Xia Lai, Kun-Ren Su, Jia-Jun Tang, Han-Lu Wang, Wei-Ling Zhu, Hong Ji, Su-Mei Hu |
| المصدر: | International Journal of Modern Physics B. 35:2150215 |
| بيانات النشر: | World Scientific Pub Co Pte Lt, 2021. |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Materials science, Strain (chemistry), Photocatalysis, Statistical and Nonlinear Physics, Multiferroics, Density functional theory, Composite material, Condensed Matter Physics |
| الوصف: | The elastic and photocatalytic properties of multiferroic material InFeO3 under strain are calculated through density functional theory. The calculated results indicate that the intrinsic InFeO3 and the strained InFeO3 meet the mechanical stability conditions and hold a relatively larger elastic coefficient than popular multiferroic material BiFeO3. The calculated bandgap and band edge of InFeO3 under tensile strain show that InFeO3 could be a high-efficiency photocatalytic hydrogen production material. InFeO3 under tensile strain holds the ability of photocatalytic water splitting to produce hydrogen with excellent ferroelectric, mechanical properties and absorption of visible light. |
| تدمد: | 1793-6578 0217-9792 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::395f93ad57c6c7fa25da46bf8b7dcddc https://doi.org/10.1142/s0217979221502155 |
| رقم الأكسشن: | edsair.doi...........395f93ad57c6c7fa25da46bf8b7dcddc |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 17936578 02179792 |
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