Zobrazeno 1 - 10
of 73
pro vyhledávání: '"Eiji Tsuchida"'
Autor:
Yoong-Kee Choe, Eiji Tsuchida, Kazuya Tokuda, Jun Otsuka, Yoshihiro Saito, Atsunobu Masuno, Hiroyuki Inoue
Publikováno v:
AIP Advances, Vol 11, Iss 3, Pp 035224-035224-6 (2021)
A first-principles molecular dynamics simulation study was carried out to investigate the structural features of Ti4+ in aqueous sulfuric acid. Ti4+ forms several stoichiometric compounds in aqueous sulfuric acid, the identity and structural informat
Externí odkaz:
https://doaj.org/article/f8dbabfe1bac4b6fa2b7b6b514dfec70
Publikováno v:
ACS Omega, Vol 3, Iss 1, Pp 349-360 (2018)
Externí odkaz:
https://doaj.org/article/20e4dec9f9494df5ad4bd3a77bb9b312
Autor:
Takahiro Ohkubo, Yutaka Imamura, Jincheng Du, Lu Deng, Nanae Ishioka, Eiji Tsuchida, Shingo Urata, Taketoshi Taniguchi, Masamichi Tanida
Publikováno v:
The Journal of Physical Chemistry C. 125:8080-8089
Ion transport and the associated structures in glass materials are of interest in batteries and related materials. Herein, the atomic structures and dynamics of Li+ in borosilicate glasses with hig...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ec2cd1208fc8fd0235bdfcae02e9ab18
https://doi.org/10.1021/acs.jpcc.1c00309
https://doi.org/10.1021/acs.jpcc.1c00309
Publikováno v:
ACS Applied Materials & Interfaces. 12:25736-25747
The 70Li2S-30P2S5 glass is a promising solid-state electrolyte for all solid-state lithium-ion batteries. Nevertheless, understanding the Li+ conduction mechanism is limited because of the complex amorphous nature of the glass. Herein, we present an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e1c49da0b0c44421783630c1f1922805
https://doi.org/10.1021/acsami.0c03002
https://doi.org/10.1021/acsami.0c03002
Publikováno v:
The Journal of Physical Chemistry C. 122:20135-20143
Degradation reactions of perfluorosulfonic acid ionomers via H or OH radicals were investigated employing B3LYP/6-311++G (2d,2p) and ωB97XD/6-311++G (2d,2p). All important degradation reaction mech...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a1329f352dc5814392a4a234126fe38
https://doi.org/10.1021/acs.jpcc.8b05908
https://doi.org/10.1021/acs.jpcc.8b05908
Publikováno v:
ACS Omega
ACS Omega, Vol 3, Iss 1, Pp 349-360 (2018)
ACS Omega, Vol 3, Iss 1, Pp 349-360 (2018)
For the first time, we report the effects of elevated temperatures, from 80 to 100 °C, on the changes in the states of water and ion–water channels and their correlation with the proton conductivity of Nafion NR212, which was investigated using a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90e1456de96fa4818737af05c30bbbed
http://europepmc.org/articles/PMC6641407
http://europepmc.org/articles/PMC6641407
Autor:
Eiji Tsuchida, Kenzo Deguchi, Shinobu Ohki, Toshiya Otomo, Takahiro Ohkubo, Tadashi Shimizu, Yasuhiko Iwadate
Publikováno v:
Journal of the American Ceramic Society. 101:1122-1134
It remains a challenge to establish structural models of multi component oxide glass systems. In this study, we have investigated 68.3 SiO2-16.1B2O3-4.2 Al2O3-11.4 Na2O glass and melt structures by ab initio molecular dynamics (AIMD) simulations. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b53935d68c1c5bd06e46d00efc573679
https://doi.org/10.1111/jace.15269
https://doi.org/10.1111/jace.15269
Autor:
Tamio Ikeshoji, Tatsuya Oshima, Yoong-Kee Choe, Masahiro Rikukawa, Akihiro Ohira, Eiji Tsuchida, Yuan-yuan Zhao
Publikováno v:
The Journal of Physical Chemistry C. 120:13398-13405
The structural and dynamic properties of a brush-type hydrocarbon copolymer are investigated using first-principles molecular dynamics simulations. Two model compounds, one with mainly hydrophilic domains and one with mainly hydrophobic domains, were
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33ebb23a5f7e4c77096559ee516b4acc
https://doi.org/10.1021/acs.jpcc.6b04030
https://doi.org/10.1021/acs.jpcc.6b04030
Publikováno v:
The Journal of Physical Chemistry B. 120:3582-3590
The atomic structure of a molten 0.3Li2O-0.7B2O3 glass at 1250 K was investigated using ab initio molecular dynamics (AIMD) simulations. The gauge including projector augmented wave (GIPAW) method was then employed for computing the chemical shift an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ecfb373f62b1f6c949ab917997b2a12
https://doi.org/10.1021/acs.jpcb.6b00381
https://doi.org/10.1021/acs.jpcb.6b00381
Publikováno v:
Journal of Membrane Science. 487:229-239
Details on the degradation mechanism of hydrocarbon ionomers for polymer electrolyte membrane fuel cells (PEFCs) have been investigated using density functional theory (DFT). Two model compounds of a hydrocarbon ionomer were selected to investigate t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b9f1fa9a0f336e9ca02041639a5c868
https://doi.org/10.1016/j.memsci.2015.04.005
https://doi.org/10.1016/j.memsci.2015.04.005