Zobrazeno 1 - 10
of 672
pro vyhledávání: '"Koichi, Yamashita"'
Publikováno v:
AIP Advances, Vol 14, Iss 9, Pp 095115-095115-9 (2024)
The use of density functional theory (DFT) to calculate the optical properties of materials frequently leads to a predicted energy bandgap that is narrower than that experimentally determined. When the energy bandgap is incorrectly evaluated by DFT,
Externí odkaz:
https://doaj.org/article/a3f46a46f53c4dd99527293bd44bc61b
Autor:
Vikas Nandal, Ryota Shoji, Hiroyuki Matsuzaki, Akihiro Furube, Lihua Lin, Takashi Hisatomi, Masanori Kaneko, Koichi Yamashita, Kazunari Domen, Kazuhiko Seki
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-8 (2021)
Deciphering charge dynamics is imperative to realize efficient oxysulfide photocatalysts. Herein, with experiments and modelling, the authors report the dominant mechanisms behind decay, estimate material parameters, and formulate design principles.
Externí odkaz:
https://doaj.org/article/14a7c1ed5fa7413c95410f7d9114c3a3
Publikováno v:
Frontiers in Energy Research, Vol 10 (2022)
The structural changes in the electronically excited state of tungsten oxide (WO3), a promising visible-light-responsive photocatalyst, are discussed from the viewpoint of carrier-phonon interactions using first-principles calculations. The increase
Externí odkaz:
https://doaj.org/article/7b1086c0f9104abd9f4f0d042d913392
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 13, p 10554 (2023)
The structural stability of the extensively studied organic–inorganic hybrid methylammonium tetrel halide perovskite semiconductors, MATtX3 (MA = CH3NH3+; Tt = Ge, Sn, Pb; X = Cl, Br, I), arises as a result of non-covalent interactions between an o
Externí odkaz:
https://doaj.org/article/0c2e1e5568054b7db269dc68b5f8a484
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 7, p 6659 (2023)
The ion pairs [Cs+•TtX3−] (Tt = Pb, Sn, Ge; X = I, Br, Cl) are the building blocks of all-inorganic cesium tetrel halide perovskites in 3D, CsTtX3, that are widely regarded as blockbuster materials for optoelectronic applications such as in solar
Externí odkaz:
https://doaj.org/article/37df356d0e7441628acb2fc85c624636
Publikováno v:
Inorganics, Vol 10, Iss 10, p 149 (2022)
This article proposes a definition for the term “pnictogen bond” and lists its donors, acceptors, and characteristic features. These may be invoked to identify this specific subset of the inter- and intramolecular interactions formed by elements
Externí odkaz:
https://doaj.org/article/c81c02bf5a30444a9b0df26858ccd565
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 15, p 8816 (2022)
The pnictogen bond, a somewhat overlooked supramolecular chemical synthon known since the middle of the last century, is one of the promising types of non-covalent interactions yet to be fully understood by recognizing and exploiting its properties f
Externí odkaz:
https://doaj.org/article/9b9992e193dc4825ac58709f3abddd49
Autor:
Kenji Mishima, Koichi Yamashita
Publikováno v:
ACS Omega, Vol 4, Iss 6, Pp 10396-10404 (2019)
Externí odkaz:
https://doaj.org/article/49808077561548ad88ac331844eda448
Publikováno v:
Molecules, Vol 27, Iss 11, p 3421 (2022)
In chemical systems, the arsenic-centered pnictogen bond, or simply the arsenic bond, occurs when there is evidence of a net attractive interaction between the electrophilic region associated with a covalently or coordinately bound arsenic atom in a
Externí odkaz:
https://doaj.org/article/d00396d5626d4e84bf7bbd2bbc3d4a20
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 9, p 4674 (2022)
A stibium bond, i.e., a non-covalent interaction formed by covalently or coordinately bound antimony, occurs in chemical systems when there is evidence of a net attractive interaction between the electrophilic region associated with an antimony atom
Externí odkaz:
https://doaj.org/article/d9e5107b3552475c87321492ed1101dc