| 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 | 146 | 2018 |
| Undoped Layered Perovskite Oxynitride Li2LaTa2O6N 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 | 79 | 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 | 38 | 2020 |
| Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb2Ti4O9F2 and Pb2Ti2O5.4F1.2 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 |
| 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 | 18 | 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 Complexes K 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 |
| 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 | 11 | 2022 |
| revisited with a many-body ab initio theoretical approach T Ichibha, AL Dzubak, JT Krogel, VR Cooper, FA Reboredo Physical Review Materials 5 (6), 064006, 2021 | 11 | 2021 |
| 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 |
