Zobrazeno 1 - 10
of 71
pro vyhledávání: '"Satoshi Ohmura"'
Autor:
Yuri Saida, Thomas Gauthier, Hiroo Suzuki, Satoshi Ohmura, Ryo Shikata, Yui Iwasaki, Godai Noyama, Misaki Kishibuchi, Yuichiro Tanaka, Wataru Yajima, Nicolas Godin, Gaël Privault, Tomoharu Tokunaga, Shota Ono, Shin-ya Koshihara, Kenji Tsuruta, Yasuhiko Hayashi, Roman Bertoni, Masaki Hada
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-12 (2024)
Abstract Electron transfer is a fundamental energy conversion process widely present in synthetic, industrial, and natural systems. Understanding the electron transfer process is important to exploit the uniqueness of the low-dimensional van der Waal
Externí odkaz:
https://doaj.org/article/1154c4c9e1fe445b8997ff1fa7a3d11c
Publikováno v:
Frontiers in Earth Science, Vol 10 (2022)
The structural and bonding properties of liquid iron–light–element–oxygen ternary systems such as Fe–H–O, Fe–C–O, Fe–Si–O, and Fe–S–O under high pressure are studied by ab initio molecular dynamics simulations. H, C, O, Si, and
Externí odkaz:
https://doaj.org/article/64d807c9958246c98846c958759bb178
Autor:
Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Satoshi Ohmura, Pankaj Rajak, Kohei Shimamura, Lindsay Bassman, Subodh Tiwari, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Publikováno v:
SoftwareX, Vol 10, Iss , Pp - (2019)
QXMD is a scalable, parallel program for Quantum Molecular Dynamics simulations with various eXtensions. Its simulation engine is based on (time-dependent) density functional theory using pseudopotentials and a plane-wave basis set, while extensions
Externí odkaz:
https://doaj.org/article/8c2f9dba4ab54c00af61265d747274b2
Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule
Publikováno v:
AIP Advances, Vol 6, Iss 1, Pp 015305-015305-7 (2016)
Using ab-initio theoretical methods, we demonstrate possible enhancement of photo-conversion efficiency of an organic solar cell via intentional doping in molecular graphene-fullerene heterojunction [the hexabenzocoronene (HBC)-triethylene glycol (TE
Externí odkaz:
https://doaj.org/article/ff9b1478b8e448f589885d6c024e5509
Autor:
Weiwei Mou, Satoshi Ohmura, Anne Hemeryck, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
Publikováno v:
AIP Advances, Vol 1, Iss 4, Pp 042149-042149-13 (2011)
Reaction of aluminum clusters, Aln (n = 16, 17 and 18), with liquid water is investigated using quantum molecular dynamics simulations, which show rapid production of hydrogen molecules assisted by proton transfer along a chain of hydrogen bonds (H-b
Externí odkaz:
https://doaj.org/article/a7832512bba94b68bd4707cbeb7e08c2
Autor:
Wataru Yajima, Ryo Shikata, Yuki Yamamoto, Masaki Hada, Satoshi Ohmura, Yuta Nishina, Yoshiya Kishibe, Shin-ya Koshihara, Shoji Yoshida, Jun-ichi Fujita, Keishi Akada, Tomohiro Iguchi
Publikováno v:
Carbon. 183:612-619
Layer stacking of two-dimensional (2D) materials, such as graphene and transition metal dichalcogenides, is critical for controlling their physical and transport properties. By exploiting a specific stacking order, the electronic band structures of s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b69405c409a6e98ea6c59217b801feb6
http://t2r2.star.titech.ac.jp/cgi-bin/publicationinfo.cgi?q_publication_content_number=CTT100873702
http://t2r2.star.titech.ac.jp/cgi-bin/publicationinfo.cgi?q_publication_content_number=CTT100873702
Publikováno v:
The journal of physical chemistry. A. 126(36)
We developed a multitimescale time-resolved electron diffraction setup by electrically synchronizing a nanosecond laser with our table-top picosecond time-resolved electron diffractometer. The setup covers the photoinduced structural dynamics of targ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a1166a12998a9908cd508d97f4a7296
https://pubmed.ncbi.nlm.nih.gov/36063425
https://pubmed.ncbi.nlm.nih.gov/36063425
Publikováno v:
Zeitschrift für Physikalische Chemie. 235:169-187
Dissociation mechanisms are studied by ab initio molecular dynamics simulations based on density functional theory for the highly charged bromophenol (C6H4OHBr)n+ (n ≤ 10) in the ground electronic state and in an electronic state which has a high e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e241c0d46586d83d9e070f357631920
https://doi.org/10.1515/zpch-2020-1634
https://doi.org/10.1515/zpch-2020-1634
Autor:
Ken Onda, Chihiro Itoh, Shin-ya Koshihara, Satoshi Ohmura, Ikufumi Katayama, Yusuke Arashida, Kiyoshi Miyata, Takayoshi Yokoya, Masaki Hada, Shota Mizote, Jun Takeda, Wang Chen, Yasuhiko Hayashi, Ryo Fukaya, Tomoharu Tokunaga, Kenji Tsuruta, Takayuki Suzuki, Yuta Nishina, Kohei Ichiyanagi, Takayoshi Sawa, Shin-ichi Adachi, Toshio Seki, Jiro Matsuo, Shunsuke Nozawa
Publikováno v:
ACS Nano. 13:10103-10112
A two-dimensional nanocarbon, graphene, has attracted substantial interest due to its excellent properties. The reduction of graphene oxide (GO) has been investigated for the mass production of gra...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cbd5a9542ecbd3aaf8730f0e79c60b3
https://doi.org/10.1021/acsnano.9b03060
https://doi.org/10.1021/acsnano.9b03060
Autor:
Fuyuki Shimojo, Kenji Tsuruta, Wataru Yajima, Takayoshi Yokoya, Ken Onda, Yusuke Masaki, Nobuyuki Abe, Masaki Hada, Daisuke Urushihara, Makoto Kuwahara, Taka-hisa Arima, Toru Asaka, Naoya Keio, Satoshi Ohmura, Tadahiko Ishikawa, Masaki Saigo, Yasuhiko Hayashi, Muneaki Hase, Yoichi Okimoto, Shin-ya Koshihara, Jiro Matsuo, Kou Takubo, Tatsuya Suzuki, Sumio Ishihara
Publikováno v:
Applied Materials Today. 24:101167
Understanding and controlling atomic motions in solid are essential in ionic materials, such as ion conductors, electrolyte and electrodes of batteries, and gas separators. Although photoinduced proton transport in solid materials has been demonstrat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6621fe09a331c7b126731bc74bc19264
https://doi.org/10.1016/j.apmt.2021.101167
https://doi.org/10.1016/j.apmt.2021.101167