Faculty Profiles - TSURUTA Kenji

Papers - TSURUTA Kenji

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Optimization of molecular characteristics via machine learning based on continuous representation of molecules Reviewed

Kyosuke Sato, Kenji Tsuruta

Materials Science Forum 1016 MSF 1492 - 1496 2021

Authorship：Corresponding author Publishing type：Research paper (international conference proceedings)

We demonstrate an automatic materials design method using continuous representation of molecule and its atomic arrangement via a neural network algorithm. This method is applied to optimizing and predicting the HOMO-LUMO gap within the molecules composed of carbon, oxygen, nitrogen, fluorine, and hydrogen. Adopting the Quantum Machine 9 (QM9) dataset as a training dataset for the molecules, we first established a continuous representation of molecules in a latent space, then predicted molecules that have target values of the HOMO-LUMO gap. In the gap maximization calculation, CF4 with the largest gap value in the QM9 dataset was automatically found despite there is no a priori data for the gap. In the case of a target gap value of 0.10 hartree, we found a new molecule whose gap value is closer to 0.10 hartree than any other molecules in the QM9 dataset.

DOI： 10.4028/www.scientific.net/MSF.1016.1492

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A mechanistic investigation of moisture-induced degradation of methylammonium lead iodide Reviewed

Masaki Hada, Md. Abdullah Al Asad, Masaaki Misawa, Yoichi Hasegawa, Ryota Nagaoka, Hiroo Suzuki, Ryuji Mishima, Hiromi Ota, Takeshi Nishikawa, Yoshifumi Yamashita, Yasuhiko Hayashi, Kenji Tsuruta

Applied Physics Letters 117 ( 25 ) 253304 - 253304 2020.12

Parameter optimisation for phononic structure using CMA-ES and S-matrix Reviewed

Hiroshi ISAKARI, Kei MATSUSHIMA, Kenji TSURUTA, Toru TAKAHASHI, Toshiro MATSUMOTO

Transactions of the Japan Society for Computational Methods in Engineering 20 65 - 73 2020.12

Low-frequency sound absorbing metasurface using multiple split resonators Reviewed

S. Takasugi, K. Watanabe, M. Misawa, and K. Tsuruta

Proceedings of Symposium on Ultrasonic Electronics (USE2020) 41 3Pb1-1 2020.11

Reconfigurable valley topological phononic waveguide with local C3v symmetry Reviewed

K. Okuno, M. Misawa, and K. Tsuruta

Proceedings of Symposium on Ultrasonic Electronics (USE2020) 41 3Pa1-2 2020.11

Super-chiral vibrational spectroscopy with metasurfaces for high-sensitive identification of alanine enantiomers Reviewed

Takumi Iida, Atsushi Ishikawa, Takuo Tanaka, Atsuya Muranaka, Masanobu Uchiyama, Yasuhiko Hayashi, Kenji Tsuruta

Applied Physics Letters 117 ( 10 ) 101103 - 101103 2020.9

Topologically robust sound wave transport in two-dimensional phononic crystal with a circular rod arrangement in water Reviewed

Kenshi Okuno, Kenji Tsuruta

Japanese Journal of Applied Physics 59 2020.7

Design of non-circular membranes metasurfaces for broadband sound absorption Reviewed

Keita Watanabe, Mikiya Fujita, Kenji Tsuruta

Japanese Journal of Applied Physics 59 2020.7

Characterization of the Σ5(210) / [001] Grain Boundary of Methyl-Ammonium Lead Triiodide Perovskite using Density Functional Theory Reviewed

Kenji TSURUTA

Transactions of the Materials Research Society of Japan 2020.6

Liquid-like dielectric response is an origin of long polaron lifetime exceeding 10 μs in lead bromide perovskites Reviewed

Kiyoshi Miyata, Ryota Nagaoka, Masaki Hada, Takanori Tanaka, Ryuji Mishima, Taihei Kuroda, Sota Sueta, Takumi Iida, Yoshifumi Yamashita, Takeshi Nishikawa, Kenji Tsuruta, Yasuhiko Hayashi, Ken Onda, Toshihiko Kiwa, Takashi Teranishi

The Journal of Chemical Physics 152 ( 8 ) 084704 - 084704 2020.2

Whitish daytime radiative cooling using diffuse reflection of non-resonant silica nanoshells Reviewed

Suichi, T., Ishikawa, A., Tanaka, T., Hayashi, Y., Tsuruta, K.

Scientific Reports 10 ( 1 ) 2020

Design of Non-circular Membranes Metasurfaces for Broadband Sound Absorption Reviewed

K. Watanabe, M. Fujita, and K. Tsuruta

Proceedings of Symposium on Ultrasonic Electronics (USE2019) 40 2P1-5 2019.11

Topologically robust sound wave transport using phononic crystal in water Reviewed

K. Okuno and K. Tsuruta

Proceedings of Symposium on Ultrasonic Electronics (USE2019) 40 2P1-4 2019.11

Ultrafast isomerization-induced cooperative motions to higher molecular orientation in smectic liquid-crystalline azobenzene molecules Reviewed

M. Hada, D. Yamaguchi, T. Ishikawa, T. Sawa, K. Tsuruta, K. Ishikawa, S. Koshihara, Y. Hayashi, T. Kato

Nature Communications 10 ( 1 ) 4159 - 4159 2019.9

Selective Reduction Mechanism of Graphene Oxide Driven by the Photon Mode versus the Thermal Mode Reviewed

Masaki Hada, Kiyoshi Miyata, Satoshi Ohmura, Yusuke Arashida, Kohei Ichiyanagi, Ikufumi Katayama, Takayuki Suzuki, Wang Chen, Shota Mizote, Takayoshi Sawa, Takayoshi Yokoya, Toshio Seki, Jiro Matsuo, Tomoharu Tokunaga, Chihiro Itoh, Kenji Tsuruta, Ryo Fukaya, Shunsuke Nozawa, Shin-ichi Adachi, Jun Takeda, Ken Onda, Shin-ya Koshihara, Yasuhiko Hayashi, Yuta Nishina

ACS Nano 2019 Vol.13 ( 9 ) 10103 - 10112 2019.8

Language：English Publishing type：Research paper (scientific journal) Publisher：ACS Publications

A two-dimensional nanocarbon, graphene, has attracted substantial interest due to its excellent properties. The reduction of graphene oxide (GO) has been investigated for the mass production of graphene used in practical applications. Different reduction processes produce different properties in graphene, affecting the performance of the final materials or devices. Therefore, an understanding of the mechanisms of GO reduction is important for controlling the properties of functional two-dimensional systems. Here, we determined the average structure of reduced GO prepared via heating and photoexcitation and clearly distinguished their reduction mechanisms using ultrafast time-resolved electron diffraction, time-resolved infrared vibrational spectroscopy, and time-dependent density functional theory calculations. The oxygen atoms of epoxy groups are selectively removed from the basal plane of GO by photoexcitation (photon mode), in stark contrast to the behavior observed for the thermal reduction of hydroxyl and epoxy groups (thermal mode). The difference originates from the selective excitation of epoxy bonds via an electronic transition due to their antibonding character. This work will enable the preparation of the optimum GO for the intended applications and expands the application scope of two-dimensional systems.

DOI： 10.1021/acsnano.9b03060

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Unravelling the Effect of Pb Vacancy and Water Intercalated Defect on Structural and Electronic Properties in Methyl Ammonium Lead Iodide (MAPI) Perovskite via First Principles Calculations Reviewed

M.A.A. Asad and K. Tsuruta

MTC Letters 6 198 - 19 2019.6

Rapid and reversible lithiation of doped biogenous iron oxide nanoparticles Reviewed

Masaaki Misawa, Hideki Hashimoto, Rajiv Kalia, Syuji Matsumoto, Aiichiro Nakano, Fuyuki Shimojo, Jun Takada, Subodh Tiwari, Kenji Tsuruta, Priya Vashishta

Scientific Reports 9 ( 1 ) 1828 - 1828 2019.2

First-principles Study on Water Dissociation in Grain Boundary of MAPbI<inf>3</inf> Perovskite Reviewed

Asad, M.A.A., Sato, K., Tsuruta, K.

MRS Advances 4 ( 36 ) 2019

Design and Assessment of Phononic Crystals for Controlling Ultrasonic Wave via Optical Measurement Method Reviewed

Kensuke Manabe, Atsushi Ishikawa, Ken Yamamoto, Takefumi Kanda, Kenji Tsuruta

IEEE International Ultrasonics Symposium, IUS 2018-October 2018.12

Authorship：Corresponding author Publishing type：Research paper (international conference proceedings)

Using an optical visualization technique, we experimentally measure ultrasonic propagation in phononic crystals consisting of a two-dimensional square array of copper wires in the water. Two different phononic crystals are designed and fabricated to exhibit waveguiding property and negative refraction of an ultrasonic wave at 200 kHz. The Fresnel diffraction method is employed to directly visualize intensity profile of the wavefront propagating in the phononic crystals, proving waveguiding and negative refraction of the ultrasonic wave. Non-invasive time-resolved imaging of an ultrasonic wave in artificial acoustic structures is thereby demonstrated, paving the way toward an efficient device design for an advanced ultrasonic wave control.

DOI： 10.1109/ULTSYM.2018.8580129

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Design of Non-Reciprocal Lamb Wave Filter by Heterojunction Phononic Crystals Reviewed

Kenji Tsuruta, Shota Asada, Yuhei Iwasaki, Atsushi Ishikawa

IEEE International Ultrasonics Symposium, IUS 2018-October 2018.12

Authorship：Lead author,　Corresponding author Publishing type：Research paper (international conference proceedings)

We designed a new acoustic diode model, based on a one-dimensional structure consisting of piezoelectric ceramic films placed periodically in an epoxy plate. Specifically, the model is designed to exhibit non-reciprocal wave propagation in the audible and ultrasonic range. Our model includes no artificial forces to generate the asymmetry in the system but utilizes a mode-conversion mechanisms of elastic-wave propagation at interfaces. We demonstrate numerically that the model can achieve non-reciprocity at a particular frequency range for both S-mode and A-mode incidence of the Lamb wave. We further attempt to develop an additional model that can suppress unwanted backward propagation due to a large mismatch at the heterojunction interface.

DOI： 10.1109/ULTSYM.2018.8579922

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