| 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 | 29 | 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 |
| 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 |
| Strain-engineered Peierls instability in layered perovskite LaNiO from first principles Y Mochizuki, H Akamatsu*, Y Kumagai, F Oba Physical Review Materials 2 (12), 125001, 2018 | 13 | 2018 |
| 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 | 6 | 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 ZnSnO, ZnSn(OH) and YSnO 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 CuPO 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 |
Fumiyasu ObaLaboratory for Materials and Structures, Tokyo Institute of TechnologyVerified email at msl.titech.ac.jp
