Publications, Invited Talks, Oral Presentations    [Back]

Publications

2017 “Charge transport calculations by a wave-packet dynamical approach using maximally localized Wannier functions based on density functional theory: Application to high-mobility organic semiconductors”、
Hiroyuki Ishii, Nobuhiko Kobayashi, and Kenji Hirose,
Physical Review B, vol. 95, 035433-1--035433-7 (2017).
“High performance solution-crystallized thin-film transistors based on V-shaped thieno[3,2-f:4,5-f']-bis[1] benzothiophene semiconductors”、
Chikahiko Mitsui, Hiroaki Tsuyama, Ryoji Shikata, Yoshinori Murata, Hiroyuki Kuniyasu, Masakazu Yamagishi, Hiroyuki Ishii, Akito Yamamoto, Yuri Hirose, Masahumi Yano, Tsunayoshi Takehara, Takeyuki Suzuki, Hiroyasu Sato, Akihito Yamano, Eiji Fukuzaki, Tetsuya Watanabe, Yoshihisa Usami, Jun Takeya and Toshihiro Okamoto,
Journal of Materials Chemistry C, vol. 5, pages 1903-1909, (2017).
“Oxygen- and Sulfur-Bridged Bianthracene V-Shaped Organic Semiconductors”、
Chikahiko Mitsui, Masakazu Yamagishi, Ryoji Shikata, Hiroyuki Ishii, Takeshi Matsushita, Katsumasa Nakahara, Masafumi Yano, Hiroyasu Sato, Akihito Yamano, Jun Takeya, and Toshihiro Okamoto,
Bulletin of the Chemical Society of Japan, vol. 90, pages 931-938, (2017).
2016 “The emergence of charge coherence in soft molecular organic semiconductors via the suppression of thermal fluctuations”、
Kenichi Sakai, Yugo Okada, Takafumi Uemura, Junto Tsurumi, Roger Häusermann, Hiroyuki Matsui, Tatsuya Fukami, Hiroyuki Ishii, Nobuhiko Kobayashi, Kenji Hirose and Jun Takeya,
NPG Asia Materials, vol. 8, e252 (5pages) (2016).
2015 “Evidence for Charge-Trapping Inducing Polymorphic Structural-Phase Transition in Pentacene”、
Masahiko Ando, Tom B. Kehoe, Makoto Yoneya, Hiroyuki Ishii, Masahiro Kawasaki, Claudia M. Duffy, Takashi Minakata, Richard T. Phillips, and Henning Sirringhaus
Advanced Materials, vol. 27, page 122-129, (2015).
“Correlation between thermal fluctuation effects and phase coherence factor in carrier transport of single-crystal organic semiconductors”、
Tatsuya Fukami, Hiroyuki Ishii, Nobuhiko Kobayashi, Takafumi Uemura, Kenichi Sakai, Yugo Okada, Jun Takeya, and Kenji Hirose
Applied Physics Letters, vol. 106, pages 143302-1--143302-4, (2015).
“Wave Packet Dynamical Calculations for Charge Transport of Organic Semiconductors: Role of Molecular Vibrations and Trap Potentials”、
Hiroyuki Ishii, Nobuhiko Kobayashi, and Kenji Hirose
Molecular Crystals and Liquid Crystals, vol. 620, pages 2-9, (2015).
2014 “Electric and Thermal Transport Calculations through Interface and Applications to Thermoelectric Energy Conversion”、
Kenji Hirose, Kazuaki Kobayashi, Masato Shimono, Hiroyuki Ishii, and Nobuhiko Kobayashi,
e-Journal of Surface Science and Nanotechnology, vol. 12, page 115-118, (2014).
“Atomistic Calculations of Heat Transport in a Silicon Crystal”、
Nobuhiko Kobayashi, Kohei Yamamoto, Hiroyuki Ishii, and Kenji Hirose,
e-Journal of Surface Science and Nanotechnology, vol. 12, page 154-156, (2014).
“Large-scale conductivity-tensor calculations for Hall effects in time-dependent wave-packet diffusion method”、
Hiroyuki Ishii, Hiroyuki Tamura, Masaru Tsukada, Nobuhiko Kobayashi, and Kenji Hirose,
Physical Review B, vol. 90, page 155458-1-155458-5, (2014).
2013 “Influence of strong electron-phonon coupling and dynamic lattice disorder on the Hall effect in organic crystals”、
Hiroyuki Tamura, Masaru Tsukada, Hiroyuki Ishii, Nobuhiko Kobayashi and Kenji Hirose,
Physical Review B, vol. 87, page 155305-1-155305-4, (2013).
“On the Phononic Bandgap of Carbon Nanotubes”、
Kohei Yamamoto, Hiroyuki Ishii, Nobuhiko Kobayashi and Kenji Hirose,
Journal of Nanomaterials, vol. 2013, ID 525070 (4 pages), (2013).
“Strong anisotropy of momentum-relaxation time induced by intermolecular vibrations of single-crystal organic semiconductors”、
Hiroyuki Ishii, Nobuhiko Kobayashi and Kenji Hirose,
Physical Review B, vol. 88, 205208-1-205208-6 (2013).
“Crossover to Quantized Thermal Conductance in Nanotubes and Nanowires”、
Kohei Yamamoto, Hiroyuki Ishii, Nobuhiko Kobayashi and Kenji Hirose,
Open Journal of Composite Materials, vol. 3, 48-54 (2013).
2012 “Roles of intramolecular and intermolecular electron-phonon coupling on the formation and transport of large polarons in organic semiconductors”、
Hiroyuki Tamura, Masaru Tsukuda, Hiroyuki Ishii, Nobuhiko Kobayashi and Kenji Hirose,
Physical Review B, vol. 86, page 035208-1-035208-4, (2012).
“Wave-packet approach to transport properties of carrier coupled with intermolecular and intramolecular vibrations of organic semiconductors”、
Hiroyuki Ishii, Keisuke Honma, Nobuhiko Kobayashi and Kenji Hirose,
Physical Review B, vol. 85, page 245206-1-245206-9, (2012).
“Bias drop and phonon emission in molecular wires”、
Kenji Hirose, Hiroyuki Ishii, Nobuhiko Kobayashi,
Applied Surface Science, vol. 258, page 2121-2123, (2012).
2011 “原子レベルからのマルチスケール量子伝導計算”、
広瀬賢二、石井宏幸、小林伸彦、
Journal of the Vacuum Society of Japan, vol. 54, page 501-506, (2011).
“Hall conductivity calculations by the time-dependent wave-packet diffusion method”,
H. Ishii, N. Kobayashi and K. Hirose,
Physical Review B, vol. 83, page 233403-1-233403-4, (2011).
“Effects of Vacancy Defects on Thermal Conduction of Silicon Nanowire: Nonequilibrium Green’s Function Approach”,
K. Yamamoto, H. Ishii, N. Kobayashi and K. Hirose,
Applied Physics Express, vol. 4, page 085001-1-085001-3, (2011).
“非平衡グリーン関数法を用いたナノワイヤーの熱伝導計算”、
山本晃平、石井宏幸、広瀬賢二、小林伸彦、
表面科学 vol. 32、No. 7、page 410-415、(2011).
2010 “Inelastic transport in vibrating disordered carbon nanotubes: Scattering times and temperature-dependent decoherence effects”,
H. Ishii, S. Roche, N. Kobayashi and K. Hirose,
Physical Review Letters, vol. 104, page 116801-1-116801-4, (2010).
“Order-N electron transport calculations from ballistic to diffusive regimes by a time-dependent wave-packet diffusion method: Application to transport properties of carbon nanotubes”,
H. Ishii, N. Kobayashi and K. Hirose,
Physical Review B, vol. 82, page 085435-1-085435-9, (2010).
“Edge-Phonon Scattering Effects on Electron Transport of Graphene Nanoribbons”,
H. Ishii, N. Kobayashi and K. Hirose,
Applied Physics Express, vol. 3, page 095102-1-095102-3, (2010).
2009 “Quantum electron transport through carbon nanotubes with electron-phonon coupling”,
H. Ishii, N. Kobayashi and K. Hirose,
Journal of Vacuum Science and Technology B, vol. 27, page 882-886, (2009).
“Charge transport in carbon nanotubes based materials: Kubo-Greenwood computational approach”,
H. Ishii, F. Triozon, N. Kobayashi, K. Hirose and S. Roche,
Comptes Rendus Physique, vol. 10, page 283-296, (2009).
“Transient current behavior through molecular bridge systems; effects of intra-molecule current on quantum relaxation and oscillation”,
Y. Tomita, T. Nakayama and H. Ishii,
e-Journal of Surface Science and Nanotechnology, vol. 7, page 617-620, (2009).
2008 “Time-Dependent Wave-Packet Diffusion Method for Quantum Transport Calculation: From Diffusive to Ballistic Regimes”,
H. Ishii, N. Kobayashi and K. Hirose,
Applied Physics Express, vol. 1, page 123002-1-123002-3, (2008).
“Contact and phonon scattering effects on quantum transport properties of carbon nanotube field-effect transistors”,
H. Ishii, N. Kobayashi and K. Hirose,
Applied Surface Science, vol. 254, page 7600-7603, (2008).
“Relaxation process of transient current; density matrix calculations”,
H. Ishii, Y. Tomita, Y. Shigeno and T. Nakayama,
e-Journal of Surface Science and Nanotechnology, vol. 6, page 213-221, (2008).
“Effects of contacts to electrodes and phonon scattering on transport of carbon-nanotube devices”,
H. Ishii, N. Kobayashi and K. Hirose,
Journal of Physics: Conference Series, vol. 100, page 052062-1-052062-4, (2008).
2007 “Quantum transport properties of carbon-nanotube field-effect transistors with electron-phonon coupling”,
H. Ishii, N. Kobayashi and K. Hirose,
Physical Review B, vol. 76, page 205432-1-205432-7, (2007).
“Time-dependent wave-packet approach to the quantum transport of carbon nanotubes with vacancies”,
H. Ishii, N. Kobayashi and K. Hirose,
Surface Science, vol. 601, page 5266-5269, (2007).
“Electron-phonon Coupling Effect on Quantum Transport in Carbon Nanotubes using Time-dependent Wave-packet approach”,
H. Ishii, N. Kobayashi and K. Hirose,
Physica E, vol. 40, page 249-252, (2007).
“Relaxation processes of transient current in nano-contact system: effects of electrode”,
H. Ishii, Y. Tomita and T. Nakayama,
Physica status solidi (c), vol. 4, page 481-484, (2007).
“Resonant Amplification and Relaxation Process of Transient Current in Nano-contact systems”,
H. Ishii, Y. Tomita and T. Nakayama,
Physics of Semiconductors 28th International Conference on the Physics of Semiconductors, AIP Conference Proceeding, vol. 893, page 997-998, (2007).
“Calculations of transport through single molecules and carbon nanotubes”,
K. Hirose, N. Kobayashi and H. Ishii,
in Simulation of Semiconductor Processes and Devices, 2007
edited by T. Grasser and S. Selberherr (Springer, 2007), page 429-432.
2006 “Quantum electron transport in kagome-lattice-chain systems with electric fields”,
H. Ishii and T. Nakayama,
Physical Review B, vol. 73, page 235311-1-235311-11, (2006).
2005 “Symmetry Breaking and Electron Transport in Kagome-Chain Systems”,
H. Ishii and T. Nakayama,
e-Journal of Surface Science and Nanotechnology, vol. 3, page 399-404, (2005).
“Exciton and Quantum Transport in Kagome Bond-Network System”,
H. Ishii and T. Nakayama,
The proceeding of the International Symposium on Super-Functionality Organic Devices, IPAP Conference series, vol. 6, page 91-94, (2005).
“Quantum Electron Transport in Finite-size Flat-band Kagome Lattice Systems”,
H. Ishii and T. Nakayama,
27th International Conference on the Physics of Semiconductors, AIP Conference Proceeding, vol. 772, page 1285-1286, (2005).
2004 “Flat-band exciton in two-dimensional Kagome quantum wire systems”,
H. Ishii, T. Nakayama and J. Inoue,
Physical Review B, vol. 69, page 085325-1-085325-7, (2004).
2003 “Nonlinear optical response from Kagome quantum dot array”,
J. Inoue, H. Ishii and T. Nakayama,
Journal of Luminescence, vol. 102-103, page 226-231, (2003).
2002 “Flat-band Exciton States in Kagome Semiconductor Quantum-wire Lattices”,
H. Ishii, T. Nakayama and J. Inoue,
The Proceedings of 26th International Conference on the Physics of Semiconductors, CD-P207, (2002).
“Flat-band excitonic states in Kagome lattice on semiconductor surfaces”,
H. Ishii, T. Nakayama and J. Inoue,
Surface Science, vol. 514, page 206-210, (2002).

Books

2015 "Electronic Processes in Organic Electronics: Bridging Nanostructure, Electronic States and Device Properties"
Editors: Hisao Ishii, Kazuhiro Kudo, Takashi Nakayama, Nobuo Ueno
Springer Series in Materials Science 209, Springer, Jan. 26th (2015)
ISBN-10: 4431552057, ISBN-13: 978-4431552055

Chapter 15 (p319-347):
Title "Numerical Approach to Charge Transport Problems on Organic Molecular Crystals"
Author: Hiroyuki Ishii

Interpretive articles

2016 「有機半導体の電子伝導とその理論」、IEEJ Journal, vol. 136, No. 7, pp. 434-437 (2016)

Invited Talks

2016 "Charge transport calculations using wave-packet dynamics based on density functional theory for organic semiconductors"
Hiroyuki Ishii
EMN Meeting on Organic Electronics and Photonics, San-Sebastian, Spain, September 9th-13th, 2016.
“高移動度有機半導体開発のための大規模伝導計算 〜揺らぐ分子・結晶構造中の電子の流れ〜”,
石井宏幸、
2016年第11回有機デバイス院生研究会、千葉大学西千葉キャンパス、2016年7月6日-7月8日.
2015 French-Japanese symposimu on Molecular Technology
"Electron transport simulations for various molecular materials"
Hiroyuki Ishii
Eurosites George V, Paris, Frence, March 9th, 2015.
“高移動度有機半導体開発のための大規模伝導計算 〜揺らぐ分子・結晶構造中の電子の流れ〜”,
石井宏幸、
5th CSJ化学フェスタ 2015、タワーホール船堀、2015年10月13日-10月15日.
2014 イブニングセッション「社会の持続的発展のための分子技術」
“高性能有機材料創出のための分子描像に立脚した大規模量子伝導計算理論の確立とその応用”
石井 宏幸
日本化学会 第94春季年会、名古屋大学 東山キャンパス、2014年3月28日
“Large-scale charge transport simulation of disordered organic semiconductors:
Role of molecular vibrations, static disorder and polaron formations”,
Hiroyuki Ishii
European Materials Research Society (E-MRS), Spring meeting, 2014, Lille, France, May 26th-30th, 2014.
“Wave Packet Dynamical Calculations for Charge Transport of Disordered Organic Semiconductors”,
Hiroyuki Ishii
KJF International Conference on Organic Materials for Electronics and Photonics (KJF-ICOMEP 2014), Tsukuba, Japan, September 21st-24th, 2014.
2013 領域7・3合同シンポジウム「有機半導体におけるスピン自由度と電荷ダイナミクス」
“時間依存波束拡散法を用いた有機半導体のキャリア輸送計算”,
石井 宏幸
日本物理学会 2013年秋季大会、徳島大学 常三島キャンパス、2013年9月25-28日
2012 “原子・分子レベルからの大規模量子伝導シミュレーション”,
石井 宏幸
第3回 真空・表面科学若手勉強会、甲南大学 ポートアイランドキャンパス、2012年11月12-13日
2011 “Order-N electron transport calculations for a ballistic, diffusive and polaron transport regimes”,
H. Ishii, N. Kobayashi and K. Hirose,
The 14th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-14), Tokyo, Japan, Octber 31-November 2, 2011.
“Order-N Transport Calculations by a Time-dependent Wave-packet Diffusion method: Application to pi-conjugated Materials”,
H. Ishii, N. Kobayashi and K. Hirose,
BIT’s 1st Annual World Congress of Nano-S&T, Dalian, China, October 23-26, 2011.
2010 “Inelastic transport through phonon-vibrating carbon nanotubes -Scattering times and temperature-dependent decoherence effects-”,
H. Ishii, S. Roche, N. Kobayashi and K. Hirose,
Workshop on Inelastic Transport Phenomena, San Sebastian, Spain, September 1-3, 2010.

Oral Presentations

2017年 “Evaluation of Mobility for Various Organic Semiconductors using Quantum Dynamics based on First-Principles Calculations”(C-12)、
H. Ishii, N. Kobayashi and K. Hirose,
9th International Conference on Materials for Advanced Technologies (ICMAT2017), Suntec, Singapore, Jun. 18th - 23rd, 2017.
2015 “Transport calculations of charge carrier coupled with molecular vibrations of organic semiconductors”(Mo-D01)、
H. Ishii, N. Kobayashi and K. Hirose,
European Conference on Surface Science (ECOSS-31), Barcelona, Spain, Aug. 31st - Sep. 4th, 2015.
2014 “Charge Transport Properties and Molecular Vibrations in Organic Semiconductors”(6pB1-3)、
H. Ishii, N. Kobayashi and K. Hirose,
The 7th International Symposium on Surface Science (ISSS-7), Matsue, Japan, Nov. 2nd - 6th, 2014.
“Dynamical and static disorder effects on charge transport property of organic semiconductors”(Q20.00009)、
H. Ishii, N. Kobayashi and K. Hirose,
2014 American Physical Society March Meeting, Denver, Colorado, USA, March 3rd - March 7th, 2014.
2013 “Wave-packet approach to thermal fluctuation effects on charge transport of organic semiconductors”(R33.00005)、
H. Ishii, N. Kobayashi and K. Hirose,
2013 American Physical Society March Meeting, Baltimore, Maryland, USA, March 18th - March 22nd, 2013.
"Molecular Vibration Effects on Charge Transport of Organic Semiconductors -Time-Dependent Wave-Packet Diffusion Method-"(TuM-4-OR02),
H. Ishii, N. Kobayashi, and K. Hirose,
The 14th International Conference on the Formation of Semiconductor interfaces (ICFSI14), Gyeongju, Korea, June 30th - July 5th, 2013.
2012 “Wave-packet approach to charge transport coupled with molecular distortions of organic semiconductors”、
H. Ishii, N. Kobayashi and K. Hirose,
5th International Symposium on Flexible Organic Electronics (ISFOE12), Thessaloniki, Greece, July 2nd - July 5th, 2012.
“Charge transport calculations of organic semiconductors by the time-dependent wave-packet diffusion method”(Y49.00001)、
H. Ishii, N. Kobayashi and K. Hirose,
2012 American Physical Society March Meeting Boston, Massachusetts, USA, February 27th - March 2nd, 2012.
2011 “Charge Transport Calculations of Organic Molecular Crystals by Time-Dependent Wave-Packet Diffusion Method”、
H. Ishii, N. Kobayashi and K. Hirose,
International Conference on the Formation of Semiconductor Interfaces (ICFSI-13), Prague, Czech Republic, July 3rd - 8th, 2011.
2010 “Order-N electron transport calculation from ballistic to diffusive regimes by time-dependent wave-packet diffusion method -Application to carbon nanotubes-”(P20.00013),
H. Ishii, N. Kobayashi and K. Hirose,
2010 American Physical Society March Meeting, Portland, Oregon, USA, March 15th - 19th, 2010.
2009 “Electron-phonon scattering effects on transport properties of carbon nanotubes - From diffusive to ballistic regimes” (A36.00010)
H. Ishii, N. Kobayashi and K. Hirose,
2009 American Physical Society March Meeting, Pittsburgh, Pennsylvania, USA, March 16th - 20th, 2009.
2008 “Electron-phonon scattering effects on transport properties of micron-size carbon nanotubes”,
H. Ishii, N. Kobayashi and K. Hirose,
13th Advanced Heterostructures and Nanostructures Workshop - Workshop on Innovative Nanoscale Devices and Systems - (AHNW13)
Hapuna Beach Prince Hotel, Hawaii, USA, December 7th - 12th, 2008.
“Diffusive and ballistic electron transport through carbon nanotubes with electron-phonon scattering” (12a-3-2),
H. Ishii, N. Kobayashi and K. Hirose,
International Symposium on Surface Science and Nanotechnology (ISSS-5), Waseda University, Tokyo, Japan, November 9th - 13th, 2008.
“Phonon scattering effects on quantum electron transport properties through carbon nanotubes” (TM-O20),
H. Ishii, N. Kobayashi and K. Hirose,
The 25th European Conference on Surface Science (ECOSS 25), Liverpool, UK, USA, July 27th - August 1st, 2008.
“Quantum Electron Transport through Carbon Nanotubes with Electron-Phonon Coupling” (NM1-TuM12),
H. Ishii, N. Kobayashi and K. Hirose,
International Conference on Nanoscience + Technology (ICN+T 2008), Keystone, Colorado, USA, July 20th - 25th, 2008.
“Electron-phonon scattering effects on transport properties of carbon nanotube devices using time-dependent wave-packet approach”,
H. Ishii, N. Kobayashi and K. Hirose,
2008 American Physical Society March Meeting, New Orleans, Louisiana, USA, March 10th - 14th, 2008.
2007 “Contact and phonon scattering effects on quantum transport properties of carbon-nanotube field-effect transistors” (12Bp2-6),
H. Ishii, N. Kobayashi, and K. Hirose,
The 9th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures (ACSIN-9), Tokyo University, Tokyo, Japan, November 11st - 15th, 2007.
“Relaxation processes of transient current in nano-contact systems; density-matrix calculations” (C-4),
Y. Tomita, Y. Shigeno, T. Nakayama and H. Ishii,
International Symposium on Frontiers in Computational Science of Nanoscale Transport (FCSNT2007), Tokyo University of Science, Tokyo, Japan, June 7th - 8th, 2007.
“Effects of Electron-phonon scattering on Conductance of Carbon nanotubes using Time-dependent wave-packet approach”,
H. Ishii, N. Kobayashi and K. Hirose,
2007 American Physical Society March Meeting, Denver, Colorado, March 5th - 9th, 2007.
2006 “Relaxation processes of transient current in nano-contact system: effects of electrode”,
H. Ishii, Y. Tomita and T. Nakayama,
International Conference on Superlattices, Nano-Structures and Nano-Devices (ICSNN2006), Istanbul, Turkey, July 30th - August 4th, 2006.
“Anisotropic transport properties in Kagome-chain systems under electric fields”,
H. Ishii and T. Nakayama,
The Quantum Transport Nano-Hana International Workshop on Applications for Ubiquitous Electronics using Nano-Materials and Nano-Devices (QTNH2006), Chiba University, Chiba, Japan, March 1, 2006.
2005 “Symmetry Breaking and Electron Transport in Kagome-Chain Systems”,
H. Ishii and T. Nakayama,
Frontier Science and Technology of Nanoporous Systems 2, Chiba University, Chiba, Japan, November 25, 2005.
“Symmetry Breaking and Electron Transport in Kagome-Chain Systems” (Tu-B5),
H. Ishii and T. Nakayama,
The International Symposium on Surface Science and Nanotechnology (ISSS-4), Omiya, Saitama, Japan, November 14th - 17th, 2005.

Copyright © 2012 Hiroyuki Ishii, All Rights Reserved.