N. Ohba

most citedFirst-principles study on the intermediate compounds of LiBH

_{4}

202 citations · 222 across the 3 of their papers we have counts for

collaborators

3 papers

cond-mat.mtrl-sci2023★ 20 cited

Creation of crystal structure reproducing X-ray diffraction pattern without using database

Joohwi Lee, Junpei Oba, Nobuko Ohba +1

When a sample's X-ray diffraction pattern (XRD) is measured, the corresponding crystal structure is usually determined by searching for similar XRD patterns in the database. Howeve…

cond-mat.mtrl-sci2006

First-principles study on thermodynamical stability of metal borohydrides: Aluminum borohydride Al(BH4)3

Kazutoshi Miwa, Nobuko Ohba, Yuko Nakamori +3

The thermodynamical stability of $Al (B H_{4})_{3}$ has been investigated using first-principles calculations based on density functional theory. The heats of formation are obtaine…

cond-mat.mtrl-sci2006★ 202 cited

First-principles study on the intermediate compounds of LiBH $_{4}$

N. Ohba, K. Miwa, M. Aoki +5

We report the results of the first-principles calculation on the intermediate compounds of LiBH $_{4}$ . The stability of LiB $_{3}$ H $_{8}$ and Li $_{2}$ B $_{n}$ H $_{n} (n = 5 - 12)$ has been examined w…

Creation of crystal structure reproducing X-ray diffraction pattern without using database

First-principles study on thermodynamical stability of metal borohydrides: Aluminum borohydride Al(BH4)3

First-principles study on the intermediate compounds of LiBH4​

First-principles study on the intermediate compounds of LiBH $_{4}$