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Keywords: DFT simulation
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Journal Articles
Journal:
Emerging Materials Research
Emerging Materials Research (2022) 11 (2): 220–227.
Published: 28 March 2022
... yttrium and indium are rather scarce in earth’s crust. The reserve of yttrium is close to that of cobalt (Co), and the reserve of indium is even much poorer. 12 Here in this work, careful density functional theory (DFT) simulations are carried out to assess the halide SSEs...
