Morphology of A۱-xA’xB۱-yB’yO۶ (A: Ce, La & B: Fe, Cu, Zn) bouble perovskites with Zndoping in B-site
سال انتشار: 1403
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 76
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شناسه ملی سند علمی:
NICEC22_114
تاریخ نمایه سازی: 7 مرداد 1403
چکیده مقاله:
The computational and experimental investigations of the structure and crystal-chemistry of theA۱-xA’xB۱-yB’yO۶ (A: Ce, La & B: Fe, Cu, Zn) double are reported. Polycrystalline A۱-xA’xB۱-yB’yO۶ perovskites weresynthesized by the sol–gel method and their structure and morphology were investigated using DFT calculationsat PBE/DNP level of theory and FE-SEM/EDS analysis. The characterization results indicate that the main effectsof the partial substitution of B-metal with Zn elements are the maintenance of the hexagonal structure of theperovskite and the increase in reducibility and oxygen mobility. All structures were optimized and computationalelectro-chemical properties was reported. Based on these results, changing the chemical composition ofperovskites has a significant effect on their electronic properties and it is expected to be effective in theirefficiency to convert CO, NO and NO۲ polluting gases. Also, all the synthesized perovskites have a flaky platestructure and it remains constant with the change in their chemical composition.
کلیدواژه ها:
نویسندگان
Hanieh Zarin Toranj
Department of Chemical Technology, Iranian Research Organization for Science and Technology (IROST), Tehran, Iran.
Razieh Habibpour
Department of Chemical Technology, Iranian Research Organization for Science and Technology (IROST), Tehran, Iran.
Eslam Kashi
Department of Chemical Technology, Iranian Research Organization for Science and Technology (IROST), Tehran, Iran.