Faculty Profiles - MATSUNAGA Katsuyuki

Papers - MATSUNAGA Katsuyuki

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First-Principles Analysis of the Oxide-Ion Conduction Mechanism in Si-Deficient Lanthanum Silicate Apatite Reviewed

Ogura Yusuke, Yokoi Tatsuya, Fujii Kotaro, Yashima Masatomo, Matsunaga Katsuyuki

JOURNAL OF PHYSICAL CHEMISTRY C Vol. 126 ( 13 ) page： 5805 - 5812 2022.4

Accurate prediction of grain boundary structures and energetics in CdTe: a machine-learning potential approach Reviewed International journal

Yokoi, T; Adachi, K; Iwase, S; Matsunaga, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS Vol. 24 ( 3 ) page： 1620 - 1629 2022.1

Effect of La vacancies on the oxide-ion conduction in lanthanum silicate apatites Reviewed International journal

Ogura, Y; Yokoi, T; Fujii, K; Yashima, M; Matsunaga, K

SOLID STATE IONICS Vol. 373 2021.12

Preferential Growth Mode of Large-Sized Vacancy Clusters in Silicon: A Neural-Network Potential and First-Principles Study Reviewed International journal

Ushiro, T; Yokoi, T; Noda, Y; Kamiyama, E; Ohbitsu, M; Nagakura, H; Sueoka, K; Matsunaga, K

JOURNAL OF PHYSICAL CHEMISTRY C Vol. 125 ( 48 ) page： 26869 - 26882 2021.12

First-principles based theoretical calculations of atomic structures of hydroxyapatite surfaces and their charge states in contact with aqueous solutions Reviewed Open Access

Saito, T; Yokoi, T; Nakamura, A; Matsunaga, K

RSC ADVANCES Vol. 11 ( 54 ) page： 34004 - 34014 2021.10

Segregation mechanism of arsenic dopants at grain boundaries in silicon Reviewed Open Access

Y. Ohno, T. Yokoi, Y. Shimizu, J. Ren, K. Inoue, Y. Nagai, K. Kutsukake, K. Fujiwara, A. Nakamura, K. Matsunaga and H. Yoshida

Sci. Tech. Adv. Mater. Vol. 1 page： 169 - 180 2021.10

Donor and acceptor-like self-doping by mechanically induced dislocations in bulk TiO2 Reviewed International coauthorship International journal Open Access

Muhammad, QK; Porz, L; Nakamura, A; Matsunaga, K; Rohnke, M; Janek, J; Rödel, J; Frömling, T

NANO ENERGY Vol. 85 2021.7

Conceptual Framework for Dislocation-Modified Conductivity in Oxide Ceramics Deconvoluting Mesoscopic Structure, Core, and Space Charge Exemplified for SrTiO3 Reviewed International coauthorship International journal

Porz, L; Frömling, T; Nakamura, A; Li, N; Maruyama, R; Matsunaga, K; Gao, P; Simons, H; Dietz, C; Rohnke, M; Janek, J; Rödel, J

ACS NANO Vol. 15 ( 6 ) page： 9355 - 9367 2021.6

Nitriding synthesis and structural change of phosphorus nitrides at high pressures Reviewed

Niwa, K; Iijima, Y; Ukita, M; Toda, R; Toyoura, K; Sasaki, T; Matsunaga, K; Gaida, NA; Hasegawa, M

JOURNAL OF RAMAN SPECTROSCOPY Vol. 52 ( 5 ) page： 1064 - 1072 2021.5

An origin of excess vibrational entropies at grain boundaries in Al, Si and MgO: a first-principles analysis with lattice dynamics Reviewed International journal

Yokoi, T; Ikawa, K; Nakamura, A; Matsunaga, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS Vol. 23 ( 16 ) page： 10118 - 10129 2021.4

Switching the fracture toughness of single-crystal ZnS using light irradiation Reviewed Open Access

Zhu, TT; Ding, K; Oshima, Y; Amiri, A; Bruder, E; Stark, RW; Durst, K; Matsunaga, K; Nakamura, A; Fang, XF

APPLIED PHYSICS LETTERS Vol. 118 ( 15 ) 2021.4

Crystal and Electronic Structures of MoSi2-Type CrGe2 Synthesized under High Pressure Reviewed International journal

Sasaki, T; Kanie, K; Yokoi, T; Niwa, K; Gaida, NA; Matsunaga, K; Hasegawa, M

INORGANIC CHEMISTRY Vol. 60 ( 3 ) page： 1767 - 1772 2021.2

Stable and metastable structures and their energetics of asymmetric tilt grain boundaries in MgO: a simulated annealing approach Reviewed

Yokoi T., Kondo Y., Ikawa K., Nakamura A., Matsunaga K.

JOURNAL OF MATERIALS SCIENCE Vol. 56 ( 4 ) page： 3183 - 3196 2021.2

Crystal and Electronic Structures of MoSi2-Type CrGe2 Synthesized under High Pressure Invited Reviewed

T. Sasaki, K. Kanie, T. Yokoi, K. Niwa, N.A. Gaida, K. Matsunaga, M. Hasegawa

Inorganic Chemistry Vol. 60 ( 3 ) page： 1767 - 1772 2021.2

Segregation mechanism of arsenic dopants at grain boundaries in silicon Open Access

Ohno, Y; Yokoi, T; Shimizu, Y; Ren, J; Inoue, K; Nagai, Y; Kutsukake, K; Fujiwara, K; Nakamura, A; Matsunaga, K; Yoshida, H

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS-METHODS Vol. 1 ( 1 ) page： 169 - 180 2021.1

Advanced superhard composite materials with extremely improved mechanical strength by interfacial segregation of dilute dopants Reviewed International journal Open Access

Nishi, T; Matsunaga, K; Mitsuoka, T; Okimura, Y; Katsu, Y

SCIENTIFIC REPORTS Vol. 10 ( 1 ) 2020.12

First-principles analysis of oxide-ion conduction mechanism in neodymium silicate Reviewed

Ogura Yusuke, Yokoi Tatsuya, Toyoura Kazuaki, Matsunaga Katsuyuki

SOLID STATE IONICS Vol. 355 2020.11

Formation energies and site preference of substitutional divalent cations in carbonated apatite Reviewed

Saito Tatsushi, Yokoi Tatsuya, Nakamura Atsutomo, Matsunaga Katsuyuki

JOURNAL OF THE AMERICAN CERAMIC SOCIETY Vol. 103 ( 9 ) page： 5354 - 5364 2020.9

Room-temperature creep deformation of cubic ZnS crystals under controlled light conditions Reviewed International coauthorship Open Access

Oshima Yu, Nakamura Atsutomo, Lagerlof K. Peter D., Yokoi Tatsuya, Matsunaga Katsuyuki

ACTA MATERIALIA Vol. 195 page： 690 - 697 2020.8

Direct Measurement of Electronic Band Structures at Oxide Grain Boundaries Reviewed International journal

Wei Jiake, Ogawa Takafumi, Feng Bin, Yokoi Tatsuya, Ishikawa Ryo, Kuwabara Akihide, Matsunaga Katsuyuki, Shibata Naoya, Ikuhara Yuichi

NANO LETTERS Vol. 20 ( 4 ) page： 2530 - 2536 2020.4

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Papers - MATSUNAGA Katsuyuki