Quantum chemical investigation of the electronic, optoelectronic, X-ray spectroscopy, and hydrogen storage capacity of AHfO3/BAgO3 (A = Cs, Ag; B = Hf, Cs) perovskite materials

Quantum chemical investigation of the electronic, optoelectronic, X-ray spectroscopy, and hydrogen storage capacity of AHfO3/BAgO3 (A = Cs, Ag; B = Hf, Cs) perovskite materials

This study focuses on investigating the structural, electronic, mechanical, X-ray spectroscopy, optoelectronic, and the hydrogen storage properties of AHfO3 and BAgO3 (A = Cs, Ag; B = Hf, Cs) perovskites using the first-principles density function theory (DFT) approach. The optimized compounds revea...

Full description

Bibliographic Details
Main Authors: Idongesit J. Mbonu, Olisaeloka G. Sunday, Hitler Louis, Udochukwu G. Chukwu, Alexander I. Ikeuba, Adedapo S. Adeyinka
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Results in Chemistry
Subjects:
Perovskite
DFT
Optoelectronics
Crystal rigidity
Cation influence
Online Access:http://www.sciencedirect.com/science/article/pii/S221171562300320X

Internet

http://www.sciencedirect.com/science/article/pii/S221171562300320X

Similar Items