Keyword: DFT

3 records found.

PhysRevB.109.195417.pdf
Element-selective structural visualization for the oxygen-induced surface of Nb⁡(110)
Journal article
Creator
Yuuki Yasui (author) (Search by this author)
;
Katsuyuki Matsunaga (author) (Search by this author)
;
Keisuke Sagisaka (author) (Search by this author)
ORCID SAMURAI ;
Yoshiaki Sugimoto (author) (Search by this author)
Keyword
Nb(110), AFM, STM, DFT
Date published
2024-05-08
Updated at
2024-05-29 08:30:07 +0900

Manuscript.docx
Unveiling dendrite-suppressing potential of alkali metal-based alloys in lithium metal batteries
Journal article
Creator
Kuan-Yu Lin (author) (Search by this author)
;
Rui-Tong Kuo (author) (Search by this author)
;
Tsuyoshi Miyazaki (author) (Search by this author)
ORCID SAMURAI ;
Bing Joe Hwang (author) (Search by this author)
;
Jyh-Chiang Jiang (author) (Search by this author)
Keyword
Li metal battery, DFT, solid electrolyte interface, MD
Date published
2024-04-13
Updated at
2024-08-20 10:48:14 +0900

2D_semiconductors_2022_07_23_SizeReduced.pdf
High-Throughput Computational Screening of Two-Dimensional Semiconductors
Journal article
Creator
Vei Wang (author) (Search by this author)
Xi’an University of Technology
;
Gang Tang (author) (Search by this author)
Beijing Institute of Technology
;
Ya-Chao Liu (author) (Search by this author)
Xi’an University of Technology
;
Ren-Tao Wang (author) (Search by this author)
Xi’an University of Technology
;
Hiroshi Mizuseki (author) (Search by this author)
Korea Institute of Science and Technology
;
Yoshiyuki Kawazoe (author) (Search by this author)
New Industry Creation Hatchery Center, Tohoku University, Sendai 980–8579, Japan
;
Jun Nara (author) (Search by this author)
International Center for Materials Nanoarchitectonics/Nano-Theory Field/First-Principles Simulation Group, National Institute for Materials Science
;
Wen Tong Geng (author) (Search by this author)
Hainan University
Keyword
DFT, 2D Materials
Date published
2022-12-22
Updated at
2023-12-25 15:17:40 +0900

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