A first principle investigation to explore the effect of Zr-site Ti doping on structural, electronic, optical, and mechanical properties of BaZrO3

Abstract Doped BaZrO3 is well recognized as a promising material for proton conduction, particularly in solid oxide fuel cells (SOFCs) and various electrochemical applications. While this material has been thoroughly examined for proton conduction, it has not been as extensively studied for other po...

全面介紹

書目詳細資料

Principais autores:	Apon Kumar Datta, M. Khalid Hossain, M. S. Revathy, M. Sudhakara Reddy, Abhayveer Singh, S. Radhika, Satish Choudhury, Ankur Singh Bisht, Abdullah M. S. Alhuthali, Magda H. Abdellattif, R. Balachandran, Rajesh Haldhar
格式:	Artigo
語言:	Inglês
出版:	Nature Portfolio 2025-07-01
叢編:	Scientific Reports
主題:	BaZrO3 perovskite Density functional theory (DFT) Transitional metal Doping Bandgap tuning
在線閱讀:	https://doi.org/10.1038/s41598-025-11576-9
標簽:	添加標簽 沒有標簽, 成為第一個標記此記錄!