HYDROGEN DEFECTS ON THE SURFACE OF LEAD-FREE FERROELECTRIC Na\(_{0.5}\)Bi\(_{0.5}\)TiO\(_3\) MATERIALS

HYDROGEN DEFECTS ON THE SURFACE OF LEAD-FREE FERROELECTRIC Na\(_{0.5}\)Bi\(_{0.5}\)TiO\(_3\) MATERIALS

Hydrogen atomic chemisorption and adsorption at all possible vacancy sites on the surface of perovskite Na0.5Bi0.5TiO3 (110) were explored using calculations from density functional theory. Our calculations reveal that a pristine Na0.5Bi0.5TiO3 (110) surface can exhibit direct and indirect transitio...

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Bibliographic Details
Main Authors: Tien Lam Vu, Hoang Thoan Nguyen, Huu Lam Nguyen, Ngoc Trung Nguyen, Quoc Van Duong, Duc Dung Dang
Format: Article
Language:English
Published: Dalat University 2024-08-01
Series:Tạp chí Khoa học Đại học Đà Lạt
Subjects:
Ferromagnetism
Hydrogen
Na0.5Bi0.5TiO3.
Online Access:https://tckh.dlu.edu.vn/index.php/tckhdhdl/article/view/1223
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