A stable, narrow-gap oxyfluoride photocatalyst for visible-light hydrogen evolution and carbon dioxide reduction R Kuriki, T Ichibha, K Hongo, D Lu, R Maezono, H Kageyama, O Ishitani, ...
Journal of the American Chemical Society 140 (21), 6648-6655, 2018
143 2018 Undoped Layered Perovskite Oxynitride Li2 LaTa2 O6 N for Photocatalytic CO2 Reduction with Visible Light T Oshima, T Ichibha, KS Qin, K Muraoka, JJM Vequizo, K Hibino, R Kuriki, ...
Angewandte Chemie 130 (27), 8286-8290, 2018
78 2018 Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb2 Ti4 O9 F2 and Pb2 Ti2 O5.4 F1.2 H Wakayama, K Utimula, T Ichibha, R Kuriki, K Hongo, R Maezono, K Oka, ...
The Journal of Physical Chemistry C 122 (46), 26506-26511, 2018
35 2018 Two‐Dimensional Perovskite Oxynitride K2LaTa2O6N with an H+/K+ Exchangeability in Aqueous Solution Forming a Stable Photocatalyst for Visible‐Light H2 Evolution T Oshima, T Ichibha, K Oqmhula, K Hibino, H Mogi, S Yamashita, K Fujii, ...
Angewandte Chemie International Edition 59 (24), 9736-9743, 2020
34 2020 New insight into the ground state of FePc: A diffusion Monte Carlo study T Ichibha, Z Hou, K Hongo, R Maezono
Scientific reports 7 (1), 2011, 2017
22 2017 Adhesion of electrodes on diamond (111) surface: A DFT study T Ichibha, K Hongo, I Motochi, NW Makau, GO Amolo, R Maezono
Diamond and Related Materials 81, 168-175, 2018
17 2018 Ab initio search of polymer crystals with high thermal conductivity K Utimula, T Ichibha, R Maezono, K Hongo
Chemistry of Materials 31 (13), 4649-4656, 2019
15 2019 Ab Initio Evaluation of Complexation Energies for Cyclodextrin-Drug Inclusion ComplexesK Oqmhula, K Hongo, R Maezono, T Ichibha
ACS omega 5 (31), 19371-19376, 2020
13 2020 Ti interstitial flows giving rutile reoxidation process enhancement in (001) surface T Ichibha, A Benali, K Hongo, R Maezono
Physical Review Materials 3 (12), 125801, 2019
13 2019 revisited with a many-body ab initio theoretical approachT Ichibha, AL Dzubak, JT Krogel, VR Cooper, FA Reboredo
Physical Review Materials 5 (6), 064006, 2021
10 2021 Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs Y Nikaido, T Ichibha, K Hongo, FA Reboredo, KCH Kumar, P Mahadevan, ...
The Journal of Physical Chemistry C 126 (13), 6000-6007, 2022
9 2022 Inconsistencies in ab initio evaluations of non-additive contributions of DNA stacking energies KS Qin, T Ichibha, K Hongo, R Maezono
Chemical Physics 529, 110554, 2020
8 2020 Importance of vdW and long-range exchange interactions to DFT-predicted docking energies between plumbagin and cyclodextrins T Ichibha, O Srihakulung, G Chao, AT Hanindriyo, L Lawtrakul, K Hongo, ...
arXiv preprint arXiv:1904.02503, 2019
5 2019 Candidate structure for the -PRE phase of solid hydrogen T Ichibha, Y Zhang, K Hongo, R Maezono, FA Reboredo
Physical Review B 104 (21), 214111, 2021
4 2021 A new ab initio modeling scheme for the ion self-diffusion coefficient applied to the ε-Cu 3 Sn phase of the Cu–Sn alloy T Ichibha, G Prayogo, K Hongo, R Maezono
Physical Chemistry Chemical Physics 21 (9), 5158-5164, 2019
4 2019 A quantum annealing approach to ionic diffusion in solids K Utimula, T Ichibha, GI Prayogo, K Hongo, K Nakano, R Maezono
Scientific Reports 11 (1), 7261, 2021
3 2021 Existence of La-site antisite defects in ( , Fe, and Co) predicted with many-body diffusion quantum Monte Carlo T Ichibha, K Saritas, JT Krogel, Y Luo, PRC Kent, FA Reboredo
Scientific Reports 13 (1), 6703, 2023
2 2023 Anionic ordering in Pb 2 Ti 4 O 9 F 2 revisited by nuclear magnetic resonance and density functional theory K Oka, T Ichibha, D Kato, Y Noda, Y Tominaga, K Yamada, M Iwasaki, ...
Dalton Transactions 51 (40), 15361-15369, 2022
2 2022 Difficulty to capture non-additive enhancement of stacking energy by conventional ab initio methods K Qin, T Ichibha, K Hongo, R Maezono
APS March Meeting Abstracts 2019, R31. 008, 2019
2 2019 Making the most of data: Quantum Monte Carlo postanalysis revisited T Ichibha, VA Neufeld, K Hongo, R Maezono, AJW Thom
Physical Review E 105 (4), 045313, 2022
1 2022