Zobrazeno 1 - 10
of 100
pro vyhledávání: '"Ryoichi Fukuda"'
Autor:
Nozomi Takagi, Kazuya Ishimura, Hiroki Miura, Tetsuya Shishido, Ryoichi Fukuda, Masahiro Ehara, Shigeyoshi Sakaki
Publikováno v:
ACS Omega, Vol 4, Iss 2, Pp 2596-2609 (2019)
Externí odkaz:
https://doaj.org/article/ea00f8dfb068450e9f4b181b41f8c1a6
Publikováno v:
Physical Chemistry Chemical Physics. 24:1712-1721
We investigated the mechanism of photoisomerization of stilbene via triplet state with para-benzoquinone sensitizer using the density functional theory and proposed a photocatalyst behavior of para-benzoquinone.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::46ebe8e321e0ead73ca559c0e5fff628
https://doi.org/10.1039/d1cp04672a
https://doi.org/10.1039/d1cp04672a
Publikováno v:
Journal of Computational Chemistry. 42:1662-1669
The resonance theory is still very useful in understanding the valence electron structure. However, such a viewpoint is not usually obtained by general-purpose quantum chemical calculations, instead requires rather special treatment such as valence b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af437e7313d0149da8be28187d95f200
https://doi.org/10.1002/jcc.26703
https://doi.org/10.1002/jcc.26703
Autor:
Kazuki Tamai, Akihiko Takamatsu, Saburo Hosokawa, Ryoichi Fukuda, Masahiro Ehara, Tsunehiro Tanaka
Publikováno v:
ACS Applied Materials & Interfaces. 13:7216-7226
The Ruddlesden–Popper (RP)-type layered perovskite is a candidate material for a new nitrogen oxide (NOx) storage catalyst. Here, we investigate the adsorption and oxidation of NOx on the (001) sur...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a5f38d1c5fd9df41591f5e85fe3623e2
https://doi.org/10.1021/acsami.0c20724
https://doi.org/10.1021/acsami.0c20724
Autor:
Tatsuya Tsukuda, Kazuya Kamazawa, Akira Yamamoto, Tsunehiro Tanaka, Ryoichi Fukuda, Hisao Yoshida, Seiji Yamazoe, Mitsutaka Nakamura, Saburo Hosokawa, Kenji Hara
Publikováno v:
Catalysis Science & Technology. 11:116-123
Hydrogen (H) species adsorbed on catalyst surfaces are key intermediates in catalytic hydrogenation reactions over supported metal catalysts. However, individual identification of H species on the metal catalysts has not been established to date. Her
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4947f73278e484593fca1e43cd9d9d39
https://doi.org/10.1039/d0cy01968b
https://doi.org/10.1039/d0cy01968b
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(3)
Sensitizer molecules affect not only the quantum yield but also the selectivity of photochemical reactions. For an appropriate design of sensitized photochemical processes, we need to elucidate the reaction mechanism in detail. Here we investigated t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::1f0665049a72aea3dae6cbfbdd1d413c
https://pubmed.ncbi.nlm.nih.gov/34984427
https://pubmed.ncbi.nlm.nih.gov/34984427
Autor:
Yuta Yamamoto, Shigeo Arai, Tetsuya Shishido, Tsunehiro Tanaka, Saburo Hosokawa, Ryoichi Fukuda, Hiroyuki Asakura, Junya Ohyama, Atsushi Satsuma, Jumpei Shibano
Publikováno v:
The Journal of Physical Chemistry C. 123:20251-20256
A supported Cu-based catalyst is designed for nitrogen oxide (NO) reduction reaction based on the previous exploration of Cu–M alloy nanoparticles by quantum chemical computations, where Cu-shell–R...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::75928912437a400ba44b51482ef6f73d
https://doi.org/10.1021/acs.jpcc.9b03687
https://doi.org/10.1021/acs.jpcc.9b03687
Publikováno v:
The Journal of Physical Chemistry A. 123:7021-7033
Reaction of NO molecule on M13 and M55 clusters (M = Ru, Rh, Pd, and Ag) was theoretically investigated to elucidate why its reaction behavior depends on the position of metal element in the period...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f288f4dcebc4fa5646b4737fac9df0b
https://doi.org/10.1021/acs.jpca.9b04069
https://doi.org/10.1021/acs.jpca.9b04069
Autor:
Kazuya Ishimura, Nozomi Takagi, Ryoichi Fukuda, Masahiro Ehara, Tetsuya Shishido, Shigeyoshi Sakaki, Hiroki Miura
Publikováno v:
ACS Omega, Vol 4, Iss 2, Pp 2596-2609 (2019)
ACS Omega
ACS Omega
Density functional theory calculations here elucidated that Cu38-catalyzed NO reduction by CO occurred not through NO dissociative adsorption but through NO dimerization. NO is adsorbed to two Cu atoms in a bridging manner. NO adsorption energy is mu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::445757e3efadbccceb8b6a8005ce34e2
https://doi.org/10.1021/acsomega.8b02890
https://doi.org/10.1021/acsomega.8b02890
Autor:
Kaho Nakatani, Ryoichi Fukuda
Publikováno v:
The Journal of Physical Chemistry C. 123:4493-4501
The [4 + 4] retrocycloaddition of bis anthracene photodimer yields anthracene cyclophane. The carbon–carbon bond cleavage in this reaction is significantly accelerated by applying high pressure. We elucidate the origin of the pressure effect using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::13a7e075ffa4d30a644549e358317b75
https://doi.org/10.1021/acs.jpcc.8b10825
https://doi.org/10.1021/acs.jpcc.8b10825