First Principle Material Genome Approach for All Solid‐State Batteries
نویسندگان
چکیده
منابع مشابه
A Theoretical Investigation for Electronics Structure of Mg(Bio2)2 Semiconductor Using First Principle Approach
The Mg(BiO2)2 is the orthorhombic crystal system acting as semiconductor in electric devices. To evaluate electronic band structures, the total density of state (TDOS) and the partial density of state (PDOS), Generalized Gradient Approximation (GGA) based on the Perdew–Burke–Ernzerhof (PBE0) was used for Mg(BiO2)2. The band gap was recorded at 0.959 eV, which is supported by a good semiconducto...
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ژورنال
عنوان ژورنال: ENERGY & ENVIRONMENTAL MATERIALS
سال: 2019
ISSN: 2575-0356,2575-0356
DOI: 10.1002/eem2.12053