Zobrazeno 1 - 10
of 356
pro vyhledávání: '"Takahisa Ohno"'
Autor:
Hirofumi Tsukasaki, Yota Mori, Misae Otoyama, So Yubuchi, Takamasa Asano, Yoshinori Tanaka, Takahisa Ohno, Shigeo Mori, Akitoshi Hayashi, Masahiro Tatsumisago
Publikováno v:
Scientific Reports, Vol 8, Iss 1, Pp 1-8 (2018)
Abstract Sulfide-based all-solid-state lithium batteries are a next-generation power source composed of the inorganic solid electrolytes which are incombustible and have high ionic conductivity. Positive electrode composites comprising LiNi1/3Mn1/3Co
Externí odkaz:
https://doaj.org/article/b73228646e6b4275b92f3a7744454622
Publikováno v:
AIP Advances, Vol 9, Iss 3, Pp 035309-035309-4 (2019)
We theoretically investigated the dynamics of oxygen vacancies (Vo’s) and the effect of changing their charge states by performing first-principles molecular dynamics simulations at a temperature of 1000 K. Calculations were performed for two struc
Externí odkaz:
https://doaj.org/article/be6b8257bda04651af3e89a07247112b
Publikováno v:
AIP Advances, Vol 2, Iss 2, Pp 022172-022172-7 (2012)
We studied the band gap of β-PtO2 using first-principles calculations based on density functional theory (DFT). The results are obtained within the framework of the generalized gradient approximation (GGA), GGA+U, GW, and the hybrid functional metho
Externí odkaz:
https://doaj.org/article/235b9040dd64464698c5405b535d7433
Publikováno v:
AIP Advances, Vol 3, Iss 4, Pp 042101-042101 (2013)
We provide a first-principles description of the crystalline and oxygen-deficient Ta2O5 using refined computational methods and models. By performing calculations on a number of candidate structures, we determined the low-temperature phase and severa
Externí odkaz:
https://doaj.org/article/d7136e9c7c5c498084ad700c6d7a3f76
Publikováno v:
Matter. 6:493-505
Publikováno v:
The Journal of Physical Chemistry C. 125:1048-1053
We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with the increasing twist angle, due to the increase of the interlayer overlap...
Autor:
Wen-Tong Geng, Jian Bo Lin, Vei Wang, Qiang Gu, Qing Peng, Takahisa Ohno, Jun Nara, Sneak Peek Administrator
Publikováno v:
SSRN Electronic Journal.
Autor:
Masakazu Sugiyama, Raman Bekarevich, Yuriy Pihosh, Kazutaka Mitsuishi, Hirohito Ohata, Takehiko Kitamori, Takahisa Ohno, Yoshitaka Matsushita, Takanobu Hiroto, Tsutomu Minegishi, Yoshinori Tanaka, Kei Nishikawa, Kazunori Takada
Publikováno v:
ACS Applied Energy Materials. 3:6700-6708
The development of lithium-ion batteries (LIBs) with high-energy densities faces challenges to meet the ever-growing market demands. Tungsten oxide (WO3) with high theoretical capacity and low cost...
Publikováno v:
The Journal of Physical Chemistry Letters. 11:2637-2646
To have a fully first-principles description of the moire pattern in transition-metal dichalcogenide heterobilayers, we have carried out density functional theory calculations on a MoTe2(9 × 9)/MoS2(10 × 10) stacking, which has a superlattice large
Autor:
Kazuo Minami, Takahisa Ohno, Junichiro Koga, Toshihiro Kato, Akiyoshi Kuroda, Tsuyoshi Uda, Takahiro Yamasaki, Jun Nara
Publikováno v:
Computer Physics Communications. 244:264-276
Density functional calculations with a plane-wave basis set are widely used in materials science. Due to recent developments in high-performance computers, the number of nodes equipped in such computers greatly exceeds the number of atoms included in