Hiroyuki Tamura, Dr. CV

ISHIKITA Lab, Research Center for Advanced Science and Technology,
Department of Applied Chemistry, Graduate School of Engineering,
The University of Tokyo

Project Associate Professor

Google Scholar

Biography

PUBLICATION

1. “Absorption wavelength along chromophore low-barrier hydrogen bonds”, M. Tsujimura, H.Tamura, K. Saito, H. Ishikita*, iScience 25, 104247-1-15 (2022). 10.1016/j.isci.2022.104247
2. “Long-range electron tunneling from the primary to secondary quinones in photosystem II enhanced by hydrogen bonds with a nonheme Fe complex”, H. Tamura*, K. Saito, H. Ishikita, J. Phys. Chem. B 125, 2879–2885 (2021). 10.1021/acs.jpcb.1c09538
3. “The origin of unidirectional charge separation in photosynthetic reaction centers: Nonadiabatic quantum dynamics of exciton and charge in pigment-protein complexes”, H. Tamura*, K. Saito, H. Ishikita, Chem. Sci. 12, 8131–8140 (2021). 10.1039/D1SC01497H
4. “Nature of asymmetric electron transfer in the symmetric pathways of photosystem I”, K. Mitsuhashi, H. Tamura, K. Saito, H. Ishikita*, J. Phys. Chem. B 125, 2879–2885 (2021). 10.1021/acs.jpcb.0c10885
5.  “Lanthanide-doped inorganic nanoparticles turn molecular triplet excitons bright”, S. Han, R. Deng, Q. Gu, L. Ni, U. Huynh, J. Zhang, Z. Yi, H. Tamura, A. Pershin, H. Xu, M. Abdi-Jalebi, A. Sadhanala, A. Bakulin, D. Beljonne, B. Zhao, S. Ahmad, M. Tang, Z. Huang, X. Liu, A. Rao*, Nature 587, 594-599 (2020). 10.1038/s41586-020-2932-2
6. “Triplet exciton transfers and triplet−triplet annihilation in anthracene derivatives via direct versus superexchange pathways governed by molecular packing”, H. Tamura*, J. Phys. Chem. A 124, 7943−7949 (2020). [Invited: Josef Michl Festschrift] 10.1021/acs.jpca.0c06835
7. “Acquirement of water-splitting ability and alteration of charge-separation mechanism in photosynthetic reaction centers”, H. Tamura, K. Saito, H. Ishikita*, Proc. Natl. Acad. Sci. U. S. A. 117, 16373-16382 (2020). 10.1073/pnas.2000895117
8. “Quenching of singlet oxygen by carotenoids via ultrafast super-exchange dynamics”, H. Tamura*, H. Ishikita, J. Phys. Chem. A 124, 5081-5088 (2020). 10.1021/acs.jpca.0c02228
9. 「励起子の電荷分離の基礎機構と太陽光の効率利用」田村宏之、カーボン・エネルギーコントロール社会協議会、ニュースレター、第88号 (2019).
10. 「量子化学計算による有機薄膜太陽電池の発電機構解明」田村宏之、応用物理 87, p 267. ４月号　最近の展望 (2019).
11. “Long-range exciton diffusion via singlet revival mechanism”, H. Tamura*, K. Azumaya, H. Ishikita, J. Phys. Chem. Lett. 10, 7623-7628 (2019). 10.1021/acs.jpclett.9b03029
12. “Singlet exciton fission via an intermolecular charge transfer state in coevaporated pentacene-perfluoropentacene thin films”, V. O. Kim, K. Broch, V. Belova, Y. S. Chen, A. Gerlach, F. Schreiber, H. Tamura, R. G. D. Valle, G. D’Avino, I. Salzmann, D. Beljonne*, A. Rao, R. Friend, J. Chem. Phys. 151, 164706-1-7 (2019). 10.1063/1.5130400
13. “Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics”, K. Falahati, H. Tamura, I. Burghardt, M. Huix-Rotllant, Nature Commun. 9, 4502-1-8 (2018). 10.1038/s41467-018-06615-1
14. “Robust singlet fission in pentacene thin films with tuned charge transfer interactions”, K. Broch*, J. Dieterle, F. Branchi, N. Hestand, Y. Olivier, H. Tamura, C. Cruz, V. Nichols, A. Hinderhofer, D. Beljonne, F. Spano, G. Cerullo, C. Bardeen, F. Schreiber, Nature Commun. 9, 954-1-9 (2018). 10.1038/s41467-018-03300-1
15. “Quantum dynamical studies of ultrafast charge separation in nanostructured organic polymer materials: Effects of vibronic interactions and molecular packing”, M. Polkehn, P. Eisenbrandt, H. Tamura, I. Burghardt*, Int. J. Quant. Chem. (Special Issue ISTCP IX), 118, 25502-1-15 (2018). 10.1002/qua.25502
16. “Ultrafast energy and charge transfer in functional molecular nanoscale aggregates” H. Tamura, K. H. Hughes, R. Martinazzo, J. Wahl, R. Binder, and I. Burghardt: Ultrafast Dynamics at the Nanoscale: Biomolecules and Supramolecular Assemblies, (Eds.) I. Burghardt and S. Haacke, Pan Stanford Publishers, Chapter 11, p. 407 (2017).
17. “Impact of charge-transfer excitons in regioregular polythiophene on the charge separation at polythiophene-fullerene heterojunctions”, M Polkehn, H Tamura, I Burghardt*, J. Phys. B: Atomic, Molecular and Optical Physics 51, 014003-1-12 (2017). 10.1088/1361-6455/aa93d0
18. “The entangled triplet pair state in acene and heteroacene materials”, C. K. Yong, A. J. Musser, S. L. Bayliss, S. Lukman, H. Tamura, O. Bubnova, R. K. Hallani, A. Meneau, R. Resel, M. Maruyama, S. Hotta, L. M. Herz, D. Beljonne, J. E. Anthony, J. Clark, H. Sirringhaus, Nature Commun. 8, 15953-1-12 (2017). 10.1038/ncomms15953
19. “π-electron S =½ quantum-spin-liquid state in an ionic polyaromatic hydrocarbon”, Y. Takabayashi, M. Menelaou, H. Tamura, N. Takemori, T. Koretsune, A. Štefančič, G. Klupp, A. J. C. Buurma, Y. Nomura, R. Arita, D. Arčon, M. J. Rosseinsky, K. Prassides, Nature Chem. 9, 635–643 (2017). 10.1038/nchem.2764
20. “Dynamics of the triplet pair state reveals the likely co-existence of coherent and incoherent singlet fission in crystalline hexacene”, N. R. Monahan, D. Su, H. Tamura, K. W. Williams, B. Xu, Y. Zhong, B. Kumar, C. Nuckolls, A. R. Harutyunyan, G. Chen, H.-L. Dai, D. Beljonne, Y. Rao, X.-Y. Zhu*, Nature Chem. 9, 341–346 (2017). 10.1038/nchem.2665
21. “Comparative study of single and dual gain-narrowed emission in 2 thiophene/furan/phenylene co-oligomer single crystals”, H. Shang, H. Shimotani*, S. Ikeda, T. Kanagasekaran, K. Oniwa, T. Jin, N. Asao, Y. Yamamoto, H. Tamura, K. Abe, M. Kanno, M. Yoshizawa, K. Tanigaki*, J. Phys. Chem. C 121, 2364–2368 (2017). 10.1021/acs.jpcc.6b10827
22. 「Multi-Configuration Time-Dependent Hartree法による有機光電変換系の研究」田村宏之、分子シミュレーション研究会会誌 18, 244-247 (2016).
23. “Diabatization for time-dependent density functional theory: Exciton transfers and related conical intersections”, H. Tamura*, J. Phys. Chem. A 120, 9341-9347 (2016). [Invited: Mark S. Gordon Festschrift] 10.1021/acs.jpca.6b09854
24. “Control of optical and electrical properties of nanosheets by the chemical structure of the turning point in a foldable polymer”, T. Ikeda*, H. Tamura, T. Sakurai, S. Seki, Nanoscale 8, 14673–14681 (2016). 10.1039/C6NR01066K
25. “Molecular packing determines charge separation in a liquid crystalline bisthiophene−perylene diimide donor−acceptor material”, M. Polkehn, H. Tamura, P. Eisenbrandt, S. Haacke, S. Méry, I. Burghardt*, J. Phys. Chem. Lett. 7, 1327−1334 (2016). 10.1021/acs.jpclett.6b00277
26. “Two different ground states in K-intercalated polyacenes”, Q. T. N. Phan,S. Heguri*, H. Tamura, T. Nakano, Y. Nozue, K. Tanigaki, Phys. Rev. B 93, 075130-1-6 (2016). 10.1103/PhysRevB.93.075130
27. “Theoretical analysis on optoelectronic properties of organic materials: Solar cells and light-emitting transistors”, H. Tamura : Progress in Nanophotonics 3, (Eds.) M. Ohtsu and T. Yatsui, Springer, p. 57 (2015).
28. “First-principles quantum dynamics of singlet fission: Coherent versus thermally activated mechanisms governed by molecular π stacking”, H. Tamura*, M. Huix-Rotllant, I. Burghardt, Y. Olivier, D. Beljonne, Phys. Rev. Lett. 115, 107401-1-5 (2015). 10.1103/PhysRevLett.115.107401 
29. “Concurrent effects of delocalization and internal conversion tune charge separation at regioregular polythiophene-fullerene heterojunctions”, M. Huix-Rotllant, H. Tamura*, I. Burghardt*, J. Phys. Chem. Lett. 6, 1702-1708 (2015).10.1021/acs.jpclett.5b00336
30. 「電子-正孔対のフリーキャリアへの分離機構の理論研究」田村宏之、表面科学11月号特集「有機系太陽電池の最先端」35, 615-620 (2014).
31. “Large-scale conductivity-tensor calculations for Hall effects in time-dependent wave-packet diffusion method”, H. Ishii*, H. Tamura, M. Tsukada, N. Kobayashi, K. Hirose, Phys. Rev. B 90, 155458-1-5 (2014). 10.1103/PhysRevB.90.155458
32. “Exciton diffusion length and charge mobility in donor and acceptor materials in organic photovoltaics: Tetrabenzoporphyrin and silylmethyl[60] fullerene”, H. Tamura*, Y. Matsuo, Chem. Phys. Lett. 598, 281-85 (2014). 10.1016/j.cplett.2014.03.013
33. “Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction”, K. H. Hughes*, B. Cahier, R. Martinazzo, H. Tamura, I. Burghardt, Chem. Phys. 442, 111-118 (2014). 10.1016/j.chemphys.2014.06.015
34. “Ultrafast charge separation in organic photovoltaics enhanced by charge delocalization and vibronically hot exciton dissociation”, H. Tamura*, I. Burghardt, J. Am. Chem. Soc. (Communication) 135, 16364-16367 (2013). 10.1021/ja4093874　プレスリリース「有機薄膜太陽電池の電荷損失を防ぐ要因を理論的に解明」日経産業新聞(2013/11/27)、日刊工業新聞(2013/11/15)
35. “Potential barrier and excess energy for electron−hole separation from the charge-transfer exciton at donor-acceptor heterojunctions of organic solar cells”, H. Tamura*, I. Burghardt, J. Phys. Chem. C 117, 15020-15025 (2013). 10.1021/jp406224a
36. “Single crystal biphenyl end-capped furan-incorporated oligomers: Influence of unusual packing structure on carrier mobility and luminescence”, K. Oniwa, T. Kanagasekaran, T. Jin*, Md. Akhtaruzzaman, Y. Yamamoto, H. Tamura, I. Hamada, H. Shimotani, N. Asao, S. Ikeda*, K. Tanigaki, J. Mater. Chem. C 1, 4163-4170 (2013). 10.1039/C3TC30220B
37. “Theoretical analysis on the optoelectronic properties of single crystals of thiophene-furan-phenylene co-oligomers: Efficient photoluminescence due to molecular bending”, H. Tamura*, I. Hamada, H. Shang, K. Oniwa, Md. Akhtaruzzaman, T. Jin, N. Asao, Y. Yamamoto, K. Thangavel, H. Shimotani, S. Ikeda, K. Tanigaki, J. Phys. Chem. C 117, 8072−8078 (2013). 10.1021/jp400646n
38. “Influence of strong electron-phonon coupling and dynamic lattice disorder on the Hall effect in organic crystals”, H. Tamura*, M. Tsukada, H. Ishii, N. Kobayashi, K. Hirose, Phys. Rev. B 87, 155305-1-4 (2013). 10.1103/PhysRevB.87.155305
39. “Laser-assisted field evaporation from insulators triggered by photoinduced hole accumulation”, H. Tamura*, M. Tsukada, K. P. McKenna, A. L. Shluger, T. Ohkubo, K. Hono, Phys. Rev. B 86, 195430-1-6 (2012). 10.1103/PhysRevB.86.195430 
40. “Quantum dynamics of ultrafast charge transfer at an oligothiophene-fullerene heterojunction”, H. Tamura, R. Martinazzo, M. Ruckenbauer, I. Burghardt*, J. Chem. Phys. 137, 22A540-1-8 (2012). 10.1063/1.4751486
41. “Roles of intramolecular and intermolecular electron-phonon coupling on the formation and transport of large polarons in organic semiconductors”, H. Tamura*, M. Tsukada, H. Ishii, N. Kobayashi, K. Hirose, Phys. Rev. B 86, 035208-1-4 (2012). 10.1103/PhysRevB.86.035208 
42. “Role of intermolecular charge delocalization on electron transport in fullerene aggregates”, H. Tamura*, M. Tsukada, Phys. Rev. B 85, 054301-1-8 (2012). 10.1103/PhysRevB.85.054301 
43. “Conical intersections coupled to an environment”, I. Burghardt, K. H. Hughes, R. Martinazzo, H. Tamura, E. Gindensperger, H. Köppel, and L. S. Cederbaum : Conical Intersections: Theory, Computation, and Experiment, Advanced Series in Physical Chemistry, Vol. 17, (Eds.) W. Domcke, D. R. Yarkony, H. Köppel, World Scientific, Singapore, p. 301 (2011).
44. “Exciton dissociations at thiophene/fullerene interfaces: The electronic structures and quantum dynamics”, H. Tamura*, I. Burghardt, M. Tsukada, J. Phys. Chem. C 115, 10205-10210 (2011). 10.1021/jp203174e 
45. “Mechanism of laser assisted field evaporation from insulating oxides”, M. Tsukada*, H. Tamura, K.P. McKenna, A.L. Shluger, Y.M. Chen, T. Ohkubo, K. Hono, Ultramicroscopy 111, 572-575 (2011). 10.1016/j.ultramic.2010.11.011
46. 「量子動力学法による導電性高分子中のエキシトン電荷分離の研究」田村宏之、分子シミュレーション研究会会誌 11, 41-43 (2009).
47. “Coherent transfer via environment-induced vibronic resonance”, H. Tamura*, J. Chem. Phys. 130, 214705-1-8 (2009). 10.1063/1.3146903 
48. “Ab initio study of excitation energy transfer between quantum dots and dye molecules”, H. Tamura*, J.M. Mallet, M. Oheim, I. Burghardt, J. Phys. Chem. C 113, 7548-7552 (2009). 10.1021/jp811042t
49. “Phonon-driven ultrafast exciton dissociation at donor-acceptor polymer heterojunctions” H. Tamura*, J.G.S. Ramon, E. R. Bittner, I. Burghardt, Phys. Rev. Lett.100,107402-1-4 (2008). 10.1103/PhysRevLett.100.107402
50. “Phonon-driven exciton dissociation at donor-acceptor polymer heterojunctions: Direct versus bridge-mediated vibronic coupling pathways”, H. Tamura*, J.G.S. Ramon, E. R. Bittner, I. Burghardt*, J. Phys. Chem. B 112, 495-506 (2008). 10.1021/jp077270p
51. “Nonadiabatic quantum dynamics based on a hierarchical electron-phonon model: exciton dissociation in semiconducting polymers”, H. Tamura*, E. R. Bittner, I. Burghardt, J. Chem. Phys. 127, 034706-1-18 (2007). 10.1063/1.2748050
52. “Exciton dissociation at donor-acceptor polymer heterojunctions: Quantum nonadiabatic dynamics and effective-mode analysis”, H. Tamura*, E. R. Bittner, I. Burghardt, J. Chem. Phys. 126, 021103-1-5 (2007). 10.1063/1.2431358
53. “Laser control of reactions of photoswitching functional molecules”, H. Tamura*, S. Nanbu, T. Ishida, H. Nakamura, J. Chem. Phys. 125, 034307-1-10 (2006). 10.1063/1.2213963
54. “Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization”, H. Tamura*, S. Nanbu, T. Ishida, H. Nakamura, J. Chem. Phys. 124, 084313-1-13 (2006). 10.1063/1.2171688
55. “A theoretical study of cyclohexadiene/hexatriene photochemical interconversion: multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays”, H. Tamura*, S. Nanbu, H. Nakamura, T. Ishida, Chem. Phys. Lett. 401, 487-491 (2005). 10.1016/j.cplett.2004.11.111 J. Chem. Phys. 124, 084313-1-13 (2006). 10.1063/1.2171688 
56. “Ab initio study of nucleation on the diamond (100) surface during chemical vapor deposition with methyl and H radicals”, H. Tamura*, M. S. Gordon, Chem. Phys. Lett. 406, 197-201 (2005). 10.1016/j.cplett.2005.02.116
57. “Theoretical studies of growth reactions on diamond surfaces”, P. Zapol, L.A. Curtiss, H. Tamura and M. S. Gordon : Computational Materials Chemistry, (Eds.) L. A. Curtiss and M. S. Gordon, Kluwer Academic Publishers, p. 266 (2004).
58. “Multi-configurational self-consistent field study of the SiC (001) surface”, H. Tamura*, M. S. Gordon, J. Chem. Phys. 119, 10318–10324 (2003). 10.1063/1.1617973
59. “Effect of S and O on the growth of chemical-vapor deposition diamond (100) surfaces”, H. Tamura, H. Zhou, S. Takami, M. Kubo, A. Miyamoto, M. N.-Gamo, T. Ando, J. Chem. Phys. 115, 5284–5291 (2001). 10.1063/1.1396816
60. “Quantum chemical calculations of sulfur doping reactions in diamond CVD”, H, Zhou, Y. Yokoi, H. Tamura, S. Takami, M. Kubo, A. Miyamoto, M. N-Gamo, T. Ando, Jpn. J. Appl. Phys. 40, 2830-2832 (2001). 10.1143/JJAP.40.2830
61. “Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures”, C. Xiao, M. Nishitani-Gamo, Y. Zhang, H. Tamura, H. Zhou, S. Takami, M. Kubo, A. Miyamoto, T. Ando, Jpn. J. Appl. Phys. 39, 1845-1848 (2000). 10.1143/jjap.39.1845
62. “Periodic density functional study on adsorption properties of organic molecules on clean Al(111) surface”, H. Zhou, H. Tamura, S. Takami, M. Kubo, R. Belosloudov, N. Zhanpeisov, A. Miyamoto, Appl. Surf. Sci. 158, 38-42 (2000). 10.1016/S0169-4332(99)00584-X
63. “Adsorption properties of CH₃OH on Al(111) and Fe(100) surfaces: A periodic first-principles investigation”, H. Zhou, H. Tamura, S. Takami, M. Kubo, N. Zhanpeisov, A. Miyamoto, Jpn. J. Appl. Phys. 39, 4275-4278 (2000). 10.1143/jjap.39.4275
64. “Computational chemistry study on initial stages of nitridation of silicon surfaces”, S. Takami, H. Zhou, H. Tamura, M. Kubo, A. Miyamoto, Jpn. J. Appl. Phys. 39, 4443-4446 (2000).10.1143/jjap.39.4443
65. “First-principle study on reactions of diamond (100) surfaces with hydrogen and methyl radicals”, H. Tamura, H. Zhou, Y. Hirano, S. Takami, M. Kubo, R. V. Belosludov, A. Miyamoto, A. Imamura, M. N. Gamo, T. Ando, Phys. Rev. B 62, 16995-17003 (2000).10.1103/PhysRevB.62.16995
66. “Periodic density-functional study on oxidation of diamond (100) surfaces”, H. Tamura*, H. Zhou, K. Sugisako, Y. Yokoi, S. Takami, M. Kubo, K. Teraishi, A. Miyamoto, A. Imamura, M. N. Gamo, T. Ando, Phys. Rev. B 61, 11025-11033 (2000). 10.1103/PhysRevB.61.11025
67. “Molecular dynamics simulations of adhesional forces via hydrocarbon films”, H. Tamura, H. Zhou, Y. Inaba, K. Suzuki, S. Takami, M. Kubo, A. Miyamoto, Jpn. J. Appl. Phys. 39, 4425-4426 (2000). 10.1143/jjap.39.4425
68. “Molecular dynamics simulation of friction of hydrocarbon thin films”, H. Tamura, M. Yoshida, K. Kusakabe, C. Young-Mo, R. Miura, M. Kubo, K. Teraishi, A. Chatterjee, A. Miyamoto, Langmuir 15, 7816-7821 (1999). 10.1021/la9805084
69. 「分子動力学法による潤滑剤の挙動解析」田村宏之、宮本 明、トライボロジスト 45, 655-660 (2000).
70. 「高分子系への分子動力学法の応用」田村宏之、宮本 明、日本ゴム協会誌、72, 653-658 (1999).
71. “Molecular dynamics simulation of the friction between talc(100) surfaces”, H. Tamura, K. Tsujimichi, H. Yamano, K. Shiota, M. Kubo, A. Fahmi, A. Miyamoto*, Appl. Surf. Sci. 119, 335-340 (1997). 10.1016/S0169-4332(97)00205-5
72. “Simulation of atomic force microscopy images of cleaved mica surfaces”, K. Tsujimichi, H. Tamura, A. Hirotani, M. Kubo, M. Komiyama, A. Miyamoto, J. Phys. Chem. B 101, 4260-4264 (1997). 10.1021/jp9637800