33 citations · 110 across the 8 of their papers we have counts for
8 papers
Theoretical analysis of zirconium oxynitride/water interface using neural network potential
Akitaka Nakanishi, Shusuke Kasamatsu, Jun Haruyama +1
Zr oxides and oxynitrides are promising candidates to replace precious metal cathodes in polymer electrolyte fuel cells. Oxygen reduction reaction activity in this class of materia…
First-principles study on superconductivity of P- and Cl-doped HS
Akitaka Nakanishi, Takahiro Ishikawa, Katsuya Shimizu
The recent reports on 203 K superconductivity in compressed hydrogen sulfide, HS, has attracted great interest in sulfur-hydrogen system under high pressure. Here, we investiga…
Computational materials design of attractive Fermion system with large negative effective in the hole-doped Delafossite of CuAlO, AgAlO and AuAlO
Akitaka Nakanishi, Hiroshi Katayama-Yoshida A. Nakanishi, T. Fukushima +2
In order to realize super-high-critical temperature superconductors (>1,000 K) based on general design rules for negative effective systems by controll…
Chemical Trend of Superconducting Transition Temperature in Hole-doped CuBO, CuAlO, CuGaO and CuInO
Akitaka Nakanishi, Hiroshi Katayama-Yoshida
We calculated the superconducting transition temperature of hole-doped CuBO, CuAlO, CuGaO and CuInO using first-principles. The calculated a…
Chemical Trend of Superconducting Transition Temperature in Hole-doped Delafossite of CuAlO_2, AgAlO_2 and AuAlO_2
Akitaka Nakanishi, Hiroshi Katayama-Yoshida
We have performed the first-principles calculations about the superconducting transition temperature T_c of hole-doped delafossite CuAlO_2, AgAlO_2 and AuAlO_2. Calculated T_c are…
Computational Materials Design for High Critical Temperature Superconductivity in Hole-Doped Delafossite CuAlO: Transparent Superconductors
Akitaka Nakanishi, Hiroshi Katayama-Yoshida
We have calculated the superconducting critical temperature of hole-doped delafossite CuAlO based on the first-principles calculations. According our calculation, $0.2\si…
General Rule and Materials Design of Negative Effective U System for High-T_c Superconductivity
Hiroshi Katayama-Yoshida, Koichi Kusakabe, Hidetoshi Kizaki +1
Based on the microscopic mechanisms of (1) charge-excitation-induced negative effective U in s^1 or d^9 electronic configurations, and (2) exchange-correlation-induced negative eff…
Theoretical evidences for enhanced superconducting transition temperature of CaSi in a high-pressure AlB phase
A. Nakanishi, T. Ishikawa, H. Nagara +1
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi at high pressure. Our simulation sh…