Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations A Takahashi*, Y Kumagai, J Miyamoto, Y Mochizuki, F Oba
Physical Review Materials 4 (10), 103801, 2020
39 2020 Theoretical exploration of mixed-anion antiperovskite semiconductors ( = Mg, Ca, Sr, Ba; = P, As, Sb, Bi) Y Mochizuki*, HJ Sung, A Takahashi, Y Kumagai, F Oba
Physical Review Materials 4 (4), 044601, 2020
30 2020 Polar metallic behavior of strained antiperovskites ( = Mg, Zn, and Cd) from first principles Y Mochizuki*, Y Kumagai, H Akamatsu, F Oba
Physical Review Materials 2 (12), 125004, 2018
23 2018 Phase Transition from Weak Ferroelectricity to Incipient Ferroelectricity in T Nagai†, Y Mochizuki†, H Shirakuni, A Nakano, F Oba, I Terasaki, ...
Chemistry of Materials 32 (2), 744, 2020
18 2020 Strain-engineered Peierls instability in layered perovskite La Ni O from first principles Y Mochizuki, H Akamatsu*, Y Kumagai, F Oba
Physical Review Materials 2 (12), 125001, 2018
14 2018 Coexisting Mechanisms for the Ferroelectric Phase Transition in Y Mochizuki†, T Nagai†, H Shirakuni, A Nakano, F Oba, I Terasaki, ...
Chemistry of Materials 33 (4), 1257, 2021
13 2021 Surface reconstruction and band alignment of nonmetallic (II) (IV)O perovskites HJ Sung*, Y Mochizuki, F Oba*
Physical Review Materials 4 (4), 044606, 2020
13 2020 Chemical Aspect of Displacive-Type Ferroaxial Phase Transition from Perspective of Second-Order Jahn–Teller Effect: NASICON Systems as an Example T Nagai*, Y Mochizuki, S Yoshida, T Kimura*
Journal of the American Chemical Society 145 (14), 8090-8098, 2023
9 2023 Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles Y Mochizuki*, HJ Sung, T Gake, F Oba*
Chemistry of Materials 35 (5), 2047-2057, 2023
7 2023 Antiviral and antifungal activities of lanthanum molybdate and copper molybdate T Sakai, K Sunada, Y Mochizuki, T Isobe, S Matsushita, T Nagai, ...
Journal of the Ceramic Society of Japan 130 (6), 370-375, 2022
5 2022 Decomposition of 2-naphthol in water and its antibacterial and antiviral activities by LaMnO and LaCoO in the dark R Kiribayashi, K Sunada, Y Mochizuki, T Isobe, S Matsushita, T Nagai, ...
Journal of the Ceramic Society of Japan 131 (5), 117-125, 2023
4 2023 Preparation of rare earth iodates and their decomposition activity on organic dyes and antibacterial/antiviral activities K Abe, K Sunada, Y Mochizuki, T Isobe, S Matsushita, T Nagai, H Ishiguro, ...
Ceramics International 49 (9), 14681-14688, 2023
3 2023 Phase variation of ferroelectric by selective reinforcement in the (Nb,Ta)-O covalent bonds A Nakano, H Shirakuni, T Nagai, Y Mochizuki, F Oba, H Yokota, ...
Physical Review Materials 6 (4), 044412, 2022
3 2022 Time dependence of the dominant mechanisms of self-propelled droplets by Leidenfrost phenomenon on Zn plate surfaces with and without ZnO nanorods T Hirosawa, K Yamamoto, M Sakai, Y Mochizuki, T Isobe, S Matsushita, ...
Materials Chemistry and Physics 288, 126349, 2022
2 2022 Superlattice MAX Phases with A-Layers Reconstructed into 0D-Clusters, 1D-Chains, and 2D-Lattices M Khazaei, S Bae, R Khaledialidusti, A Ranjbar, HP Komsa, S Khazaei, ...
The Journal of Physical Chemistry C 127 (30), 14906-14913, 2023
1 2023 Processing of Cerium Molybdates by Solid Phase Process and their Antiviral Activity S Iwakura, T Ito, T Sakai, K Sunada, Y Mochizuki, T Isobe, S Matsushita, ...
Journal of the Japan Society of Colour Material 96 (3), 96-103, 2023
1 2023 Degradation of 2-naphthol in water and antibacterial/antiviral activity by Zn SnO , ZnSn(OH) and Y Sn O R Nakane, R Kiribayashi, K Sunada, Y Mochizuki, T Isobe, S Matsushita, ...
Ceramics International 50, 10797-10805, 2024
2024 Thermal Properties of the Element and Binary Oxides toward Negative Thermal Expansion: A First-Principles Lattice-Dynamics Study Y Mochizuki*, H Koiso, K Nagamatsu, S Bae, T Isobe, A Nakajima
The Journal of Physical Chemistry C 128 (1), 525-535, 2024
2024 Mechanism of Negative Thermal Expansion in Monoclinic Cu P O from First Principles Y Mochizuki*†, K Nagamatsu†, H Koiso, T Isobe, A Nakajima
The Journal of Physical Chemistry Letters 15 (1), 156-164, 2024
2024 Decomposition of 2-naphthol in water and antiviral activity of CoO modified (Ce , Bi , La )O in the dark N Kobayashi, K Sunada, Y Mochizuki, T Isobe, S Matsushita, T Nagai, ...
Journal of the Ceramic Society of Japan 131 (9), 590-594, 2023
2023