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Oka, Kengo, Ichibha, Tom, Kato, Daichi, Noda, Yasuto, Tominaga, Yusuke, Yamada, Kosei, Iwasaki, Mitsunobu, Noma, Naoki, Hongo, Kenta, Maezono, Ryo, Reboredo, Fernando A. (2022) Anionic ordering in Pb2Ti4O9F2 revisited by nuclear magnetic resonance and density functional theory. Dalton Transactions, 51 (40) 15361-15369 doi:10.1039/d2dt00839d

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Reference TypeJournal (article/letter/editorial)
TitleAnionic ordering in Pb2Ti4O9F2 revisited by nuclear magnetic resonance and density functional theory
JournalDalton Transactions
AuthorsOka, KengoAuthor
Ichibha, TomAuthor
Kato, DaichiAuthor
Noda, YasutoAuthor
Tominaga, YusukeAuthor
Yamada, KoseiAuthor
Iwasaki, MitsunobuAuthor
Noma, NaokiAuthor
Hongo, KentaAuthor
Maezono, RyoAuthor
Reboredo, Fernando A.Author
Year2022Volume51
Issue40
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/d2dt00839dSearch in ResearchGate
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Mindat Ref. ID15445507Long-form Identifiermindat:1:5:15445507:1
GUID0
Full ReferenceOka, Kengo, Ichibha, Tom, Kato, Daichi, Noda, Yasuto, Tominaga, Yusuke, Yamada, Kosei, Iwasaki, Mitsunobu, Noma, Naoki, Hongo, Kenta, Maezono, Ryo, Reboredo, Fernando A. (2022) Anionic ordering in Pb2Ti4O9F2 revisited by nuclear magnetic resonance and density functional theory. Dalton Transactions, 51 (40) 15361-15369 doi:10.1039/d2dt00839d
Plain TextOka, Kengo, Ichibha, Tom, Kato, Daichi, Noda, Yasuto, Tominaga, Yusuke, Yamada, Kosei, Iwasaki, Mitsunobu, Noma, Naoki, Hongo, Kenta, Maezono, Ryo, Reboredo, Fernando A. (2022) Anionic ordering in Pb2Ti4O9F2 revisited by nuclear magnetic resonance and density functional theory. Dalton Transactions, 51 (40) 15361-15369 doi:10.1039/d2dt00839d
In(2022) Dalton Transactions Vol. 51 (40) Royal Society of Chemistry (RSC)

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Wakayama, Haruki, Utimula, Keishu, Ichibha, Tom, Kuriki, Ryo, Hongo, Kenta, Maezono, Ryo, Oka, Kengo, Maeda, Kazuhiko (2018) Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb2Ti4O9F2 and Pb2Ti2O5.4F1.2. The Journal of Physical Chemistry C, 122 (46). 26506-26511 doi:10.1021/acs.jpcc.8b08953
Nikaido, Yutaka, Ichibha, Tom, Hongo, Kenta, Reboredo, Fernando A., Kumar, K. C. Hari, Mahadevan, Priya, Maezono, Ryo, Nakano, Kousuke (2022) Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs. The Journal of Physical Chemistry C, 126 (13) 6000-6007 doi:10.1021/acs.jpcc.1c10943
Saritas, Kayahan, Ghaffar, Abdul, Krogel, Jaron T., Ichibha, Tomohiro, Hongo, Kenta, Maezono, Ryo, Reboredo, Fernando A. (2024) Enhancing MnBi2Te4 Stability by Doping. The Journal of Physical Chemistry C, 128 (24) 10108-10119 doi:10.1021/acs.jpcc.4c00848
Kuriki, Ryo, Ichibha, Tom, Hongo, Kenta, Lu, Daling, Maezono, Ryo, Kageyama, Hiroshi, Ishitani, Osamu, Oka, Kengo, Maeda, Kazuhiko (2018) A Stable, Narrow-Gap Oxyfluoride Photocatalyst for Visible-Light Hydrogen Evolution and Carbon Dioxide Reduction. Journal Of The American Chemical Society, 140 (21) 6648-6655 doi:10.1021/jacs.8b02822
Ichibha, Tom, Nikaido, Yutaka, Bennett, M. Chandler, Krogel, Jaron T., Hongo, Kenta, Maezono, Ryo, Reboredo, Fernando A. (2023) Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method. The Journal of Chemical Physics, 159 (16) doi:10.1063/5.0175381
Ichibha, Tom; Maezono, Ryo; Hongo, Kenta (2025) Ab initio screening for BCS-type superconductivity in ThCr2Si2-type compounds. Physica Scripta, 100 (8). doi:10.1088/1402-4896/adf420
Hanindriyo, Adie Tri, Yadav, Amit Kumar Singh, Ichibha, Tom, Maezono, Ryo, Nakano, Kousuke, Hongo, Kenta (2022) Diffusion Monte Carlo evaluation of disiloxane linearisation barrier. Physical Chemistry Chemical Physics, 24 (6) 3761-3769 doi:10.1039/d1cp01471d
Utimula, Keishu, Ichibha, Tom, Maezono, Ryo, Hongo, Kenta (2019) Ab Initio Search of Polymer Crystals with High Thermal Conductivity. Chemistry of Materials, 31. 4649-4656 doi:10.1021/acs.chemmater.9b00020
Qin, Ken Sinkou, Ichibha, Tom, Hongo, Kenta, Maezono, Ryo (2020) Inconsistencies in ab initio evaluations of non-additive contributions of DNA stacking energies. Chemical Physics, 529. 110554pp. doi:10.1016/j.chemphys.2019.110554
Ichibha, Tom, Hou, Zhufeng, Hongo, Kenta, Maezono, Ryo (2017) New Insight into the Ground State of FePc: A Diffusion Monte Carlo Study. Scientific Reports, 7. doi:10.1038/s41598-017-01668-6
Hyodo, Kazushige, Hongo, Kenta, Ichibha, Tom, Maezono, Ryo (2024) Solid-liquid phase boundary of oxide solid solutions using neural network potentials. Journal of Alloys and Compounds, 1006. doi:10.1016/j.jallcom.2024.176227
 
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