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First-principles calculation (2)
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Keyword: First-principles calculation
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2 records found.
Structure Prediction of Metal Nanoparticles Using Wulff Theorem and First Principles Calculation
Article
Creator
Miyu ONISHI ; Shota OHNO ;
Ayako NAKATA
; Hiromi NAKAI
Keyword
Metal nanoparticle
,
Wulff construction
,
First-principles calculation
,
Surface energy
,
Plane index
Date published
2024-10-17
Updated at
2024-12-10 16:54:11 +0900
Interfacial charge transfer and electronic structure of diamond/c-BN heterointerface
Article
Creator
Suna Jia ; Shiyang Fu ; Yaning Liu ; Nan Gao ; Hongdong Li ;
Meiyong Liao
Keyword
Diamond
,
First-principles calculation
Date published
2022-12-07
Updated at
2024-01-05 22:14:02 +0900
Keyword
First-principles calculation
(2)
Diamond
(1)
Metal nanoparticle
(1)
Plane index
(1)
Surface energy
(1)
Wulff construction
(1)
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