Keyword: density functional theory

2 records found.

Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility organic semiconductors.pdf
Statistical Analysis of Interatomic Transfer Integrals for exploring high-mobility organic semiconductors
Journal article
Creator
Koki Ozawa (author) (Search by this author)
Toyota Central R&D Labs. Inc
;
Tomoharu Okada (author) (Search by this author)
;
Hiroyuki Matsui (author) (Search by this author)
Research Center for Organic Electronics (ROEL), Yamagata University
Keyword
Organic semiconductors, transfer integrals, density functional theory, materials informatics, organic transistors
Date published
2024-12-31
Updated at
2024-06-04 08:30:18 +0900

Supplemental_material_v4.pdf
Computational material screening for electrode materials of BaSi2 solar cells
Journal article
Creator
Tomoaki Yazaki (author) (Search by this author)
a Center for Crystal Science and Technology, University of Yamanashi
;
Keisuke Arimoto (author) (Search by this author)
;
Junji Yamanaka (author) (Search by this author)
;
Kosuke O. Hara (author) (Search by this author)
Keyword
Solar cells, metallic electrode, high-throughput virtual screening, work function, melting point, density functional theory
Date published
2026-12-31
Updated at
2026-03-07 12:30:04 +0900