• 5536 引用
  • 37 h指数
1990 …2020

年単位の研究成果

Pureに変更を加えた場合、すぐここに表示されます。

研究成果

2020

Agglomeration Suppression of a Fe-Supported Catalyst and its Utilization for Low-Temperature Ammonia Synthesis in an Electric Field

Sakai, R., Murakami, K., Mizutani, Y., Tanaka, Y., Hayashi, S., Ishikawa, A., Higo, T., Ogo, S., Tsuneki, H., Nakai, H. & Sekine, Y., 2020, (Accepted/In press) : : ACS Omega.

研究成果: Article

公開

Catalytic Dehydrogenation of Ethane over Doped Perovskite via the Mars-van Krevelen Mechanism

Toko, K., Ito, K., Saito, H., Hosono, Y., Murakami, K., Misaki, S., Higo, T., Ogo, S., Tsuneki, H., Maeda, S., Hashimoto, K., Nakai, H. & Sekine, Y., 2020 5 14, : : Journal of Physical Chemistry C. 124, 19, p. 10462-10469 8 p.

研究成果: Article

Confined water-mediated high proton conduction in hydrophobic channel of a synthetic nanotube

Otake, K. I., Otsubo, K., Komatsu, T., Dekura, S., Taylor, J. M., Ikeda, R., Sugimoto, K., Fujiwara, A., Chou, C. P., Sakti, A. W., Nishimura, Y., Nakai, H. & Kitagawa, H., 2020 12 1, : : Nature communications. 11, 1, 843.

研究成果: Article

公開
5 引用 (Scopus)

Density-Functional Tight-Binding Study of Carbonaceous Species Diffusion on the (100)-γ-Al2O3 Surface

Sakti, A. W., Chou, C. P. & Nakai, H., 2020, (Accepted/In press) : : ACS Omega.

研究成果: Article

公開
公開
2 引用 (Scopus)
1 引用 (Scopus)
3 引用 (Scopus)
1 引用 (Scopus)
1 引用 (Scopus)
2019

Bond Energy Density Analysis Combined with Informatics Technique

Nakai, H., Seino, J. & Nakamura, K., 2019 9 12, : : The journal of physical chemistry. A. 123, 36, p. 7777-7784 8 p.

研究成果: Article

11 引用 (Scopus)
5 引用 (Scopus)
5 引用 (Scopus)
公開
1 引用 (Scopus)
4 引用 (Scopus)

Governing factors of supports of ammonia synthesis in an electric field found using density functional theory

Murakami, K., Tanaka, Y., Hayashi, S., Sakai, R., Hisai, Y., Mizutani, Y., Ishikawa, A., Higo, T., Ogo, S., Seo, J. G., Tsuneki, H., Nakai, H. & Sekine, Y., 2019 8 14, : : Journal of Chemical Physics. 151, 6, 064708.

研究成果: Article

公開
3 引用 (Scopus)
3 引用 (Scopus)
公開
4 引用 (Scopus)
4 引用 (Scopus)
公開

Reversible Sodium Metal Electrodes: Is Fluorine an Essential Interphasial Component?

Doi, K., Yamada, Y., Okoshi, M., Ono, J., Chou, C. P., Nakai, H. & Yamada, A., 2019 1 1, : : Angewandte Chemie - International Edition.

研究成果: Article

公開
10 引用 (Scopus)
3 引用 (Scopus)

Sodium- and Potassium-Hydrate Melts Containing Asymmetric Imide Anions for High-Voltage Aqueous Batteries

Zheng, Q., Miura, S., Miyazaki, K., Ko, S., Watanabe, E., Okoshi, M., Chou, C. P., Nishimura, Y., Nakai, H., Kamiya, T., Honda, T., Akikusa, J., Yamada, Y. & Yamada, A., 2019 10 1, : : Angewandte Chemie - International Edition. 58, 40, p. 14202-14207 6 p.

研究成果: Article

11 引用 (Scopus)

Temperature- and pressure-dependent adsorption configuration of NO molecules on Rh(111) surface: A theoretical study

Hirai, T., Okoshi, M., Ishikawa, A. & Nakai, H., 2019 8 1, : : Surface Science. 686, p. 58-62 5 p.

研究成果: Article

1 引用 (Scopus)
2 引用 (Scopus)
2018
19 引用 (Scopus)
7 引用 (Scopus)
2 引用 (Scopus)
1 引用 (Scopus)

Electron-Hopping Brings Lattice Strain and High Catalytic Activity in the Low-Temperature Oxidative Coupling of Methane in an Electric Field

Ogo, S., Nakatsubo, H., Iwasaki, K., Sato, A., Murakami, K., Yabe, T., Ishikawa, A., Nakai, H. & Sekine, Y., 2018 2 1, : : Journal of Physical Chemistry C. 122, 4, p. 2089-2096 8 p.

研究成果: Article

9 引用 (Scopus)

Fractional-occupation-number based divide-and-conquer coupled-cluster theory

Yoshikawa, T. & Nakai, H., 2018 11 16, : : Chemical Physics Letters. 712, p. 184-189 6 p.

研究成果: Article

2 引用 (Scopus)
3 引用 (Scopus)
1 引用 (Scopus)

Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

Ikabata, Y., Aiba, R., Iwanade, T., Nishizawa, H., Wang, F. & Nakai, H., 2018 5 14, : : Journal of Chemical Physics. 148, 18, 184110.

研究成果: Article

4 引用 (Scopus)

RAQET: Large-Scale Two-Component Relativistic Quantum Chemistry Program Package

Hayami, M., Seino, J., Nakajima, Y., Nakano, M., Ikabata, Y., Yoshikawa, T., Oyama, T., Hiraga, K., Hirata, S. & Nakai, H., 2018 1 1, (Accepted/In press) : : Journal of Computational Chemistry.

研究成果: Article

4 引用 (Scopus)
15 引用 (Scopus)
21 引用 (Scopus)

Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume

Krstic, P. S., Han, L., Irle, S. & Nakai, H., 2018 1 1, : : Chemical Science. 9, 15, p. 3803-3819 17 p.

研究成果: Article

13 引用 (Scopus)
1 引用 (Scopus)

The important role of N2H formation energy for low-temperature ammonia synthesis in an electric field

Murakami, K., Tanaka, Y., Sakai, R., Toko, K., Ito, K., Ishikawa, A., Higo, T., Yabe, T., Ogo, S., Ikeda, M., Tsuneki, H., Nakai, H. & Sekine, Y., 2018 1 1, (Accepted/In press) : : Catalysis Today.

研究成果: Article

2 引用 (Scopus)
16 引用 (Scopus)