Ootani Y - Search Results

1

Reticular Imine-Linked Coordination Polymers Based on Paddlewheel Diruthenium/Dirhodium Nodes: Synthesis and Metal-Site Dependent Photocatalytic Reduction of CO₂.

Itoh C, Kitada M, Kondo M, Masaoka S, Yoshino H, Kosaka W, Ootani Y, Matsuda J, Kubo M, Konno TJ, Miyasaka H. Itoh C, et al. Among authors: ootani y. ChemSusChem. 2024 Jun 18:e202400885. doi: 10.1002/cssc.202400885. Online ahead of print. ChemSusChem. 2024. PMID: 38894512

2

Mechanisms of chemical-reaction-induced tensile deformation of an Fe/Ni/Cr alloy revealed by reactive atomistic simulations.

Wang Y, Zhao H, Liu C, Ootani Y, Ozawa N, Kubo M. Wang Y, et al. Among authors: ootani y. RSC Adv. 2023 Feb 27;13(10):6630-6636. doi: 10.1039/d2ra07039a. eCollection 2023 Feb 21. RSC Adv. 2023. PMID: 36860537 Free PMC article.

3

Non-Empirical Law for Nanoscale Atom-by-Atom Wear.

Wang Y, Xu J, Ootani Y, Ozawa N, Adachi K, Kubo M. Wang Y, et al. Among authors: ootani y. Adv Sci (Weinh). 2020 Dec 7;8(2):2002827. doi: 10.1002/advs.202002827. eCollection 2021 Jan. Adv Sci (Weinh). 2020. PMID: 33511015 Free PMC article.

4

Atom-by-Atom and Sheet-by-Sheet Chemical Mechanical Polishing of Diamond Assisted by OH Radicals: A Tight-Binding Quantum Chemical Molecular Dynamics Simulation Study.

Kawaguchi K, Wang Y, Xu J, Ootani Y, Higuchi Y, Ozawa N, Kubo M. Kawaguchi K, et al. Among authors: ootani y. ACS Appl Mater Interfaces. 2021 Sep 1;13(34):41231-41237. doi: 10.1021/acsami.1c09468. Epub 2021 Aug 17. ACS Appl Mater Interfaces. 2021. PMID: 34403585

5

Cooperative roles of chemical reactions and mechanical friction in chemical mechanical polishing of gallium nitride assisted by OH radicals: tight-binding quantum chemical molecular dynamics simulations.

Kawaguchi K, Wang Y, Xu J, Ootani Y, Higuchi Y, Ozawa N, Kubo M. Kawaguchi K, et al. Among authors: ootani y. Phys Chem Chem Phys. 2021 Feb 25;23(7):4075-4084. doi: 10.1039/d0cp05826b. Phys Chem Chem Phys. 2021. PMID: 33427834

6

Tight-Binding Quantum Chemical Molecular Dynamics Study on the Friction and Wear Processes of Diamond-Like Carbon Coatings: Effect of Tensile Stress.

Wang Y, Xu J, Ootani Y, Bai S, Higuchi Y, Ozawa N, Adachi K, Martin JM, Kubo M. Wang Y, et al. Among authors: ootani y. ACS Appl Mater Interfaces. 2017 Oct 4;9(39):34396-34404. doi: 10.1021/acsami.7b07551. Epub 2017 Sep 25. ACS Appl Mater Interfaces. 2017. PMID: 28914057

7

Role of OH Termination in Mitigating Friction of Diamond-like Carbon under High Load: A Joint Simulation and Experimental Study.

Wang Y, Hayashi K, Ootani Y, Bai S, Shimazaki T, Higuchi Y, Ozawa N, Adachi K, De Barros Bouchet MI, Martin JM, Kubo M. Wang Y, et al. Among authors: ootani y. Langmuir. 2021 May 25;37(20):6292-6300. doi: 10.1021/acs.langmuir.1c00727. Epub 2021 May 6. Langmuir. 2021. PMID: 33956461

8

Triboemission of hydrocarbon molecules from diamond-like carbon friction interface induces atomic-scale wear.

Wang Y, Yamada N, Xu J, Zhang J, Chen Q, Ootani Y, Higuchi Y, Ozawa N, Bouchet MB, Martin JM, Mori S, Adachi K, Kubo M. Wang Y, et al. Among authors: ootani y. Sci Adv. 2019 Nov 15;5(11):eaax9301. doi: 10.1126/sciadv.aax9301. eCollection 2019 Nov. Sci Adv. 2019. PMID: 31763455 Free PMC article.

9

Trajectory on-the-fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropolone.

Ootani Y, Satoh A, Harabuchi Y, Taketsugu T. Ootani Y, et al. J Comput Chem. 2020 Jun 15;41(16):1549-1556. doi: 10.1002/jcc.26199. Epub 2020 Apr 2. J Comput Chem. 2020. PMID: 32239685

10

Ab initio molecular dynamics approach to tunneling splitting in polyatomic molecules.

Ootani Y, Taketsugu T. Ootani Y, et al. J Comput Chem. 2012 Jan 5;33(1):60-5. doi: 10.1002/jcc.21943. Epub 2011 Sep 29. J Comput Chem. 2012. PMID: 21956595

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