TATEYAMA, Yoshitaka

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Last Update : 2013/03/14
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TATEYAMA, Yoshitaka
Group Leader,  Nano-System Computational Science Group, Nano Interface Unit, Nano-Power Field, MANA,  National Institute for Materials Science
Email: TATEYAMA.Yoshitakanims.go.jp
Phone: +81-29-859-2626
1-1 Namiki, Tsukuba, Ibaraki, 305-0044 JAPAN [Location]
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Research fields
Keywords DFT, free energy calculation, redox reaction, photoexcitation, solid-liquid interface, battery, solar cell, catalysis
Publications NIMS affiliated publications since 2004.
Research papers
  • K. Sodeyama, M. Sumita, C. ORourke, T. Umberto, I. Ashraful, L. Han, D. Bowler, Y. Tateyama : “Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface” Phys. Chem. Lett 3[4] (2012) 472-477 DOI:10.1021/jz201583n
  • M. Sumita, C. Hu and Y. Tateyama : “ Interface Water on TiO 2 Anatase (101) and (001) Surfaces: First-Principles Study with TiO 2 Slabs Dipped in Bulk Water ” J. Phys. Chem. C 114[43] (2010) 18529-18537 DOI:10.1021/jp105364z
  • Y. Tateyama, J. Blumberger, M. Sprik and I. Tavernelli : “Density-functional molecular-dynamics study of the redox reactions of two anionic aqueous transition-metal complexes” J. Chem. Phys. 122[23] (2005) 234505-1 DOI:10.1063/1.1938192
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Books
  • Y. Tateyama, T. Ohno : “First-Principles Study on the Stability of Vacancy-Hydrogen complexes in alpha-iron” Hydrogen effects on material behavior and corrosion deformation interactions (2003)
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Conferences
  • C. Hu, SUGINO, Y. Tateyama : “Calculation of atomic excitation energies by time-dependent density functional theory within modified linear response” International Conference on Quantum Simulators and Design 2008 JOURNAL OF PHYSICS-CONDENSED MATTER 21[6] (2009) 064229-1
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Presentations, others
  • June 25, 2012 - July 13, 2012 : Y. Tateyama : “DFT approaches to semiconductor/oxide-solution interfaces” MASP2012
  • May 23-25, 2012 : Y. Tateyama, M. Sumita, K. Sodeyama : “DFT-MD Analysis of Interfacial Charge Transfer at TiO2/ Solution Interfaces for Photocatalysis and Solar Cell” Spring meeting of international society of electrochemistry
  • July 12, 2010 : Y. Tateyama : “First-principles MD study on redox reaction ability of semiconductor/water interfaces” CECAM workshop
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Patents
  • No. 2011023678 “分子電子デバイス及びその製造方法” (2011)
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External references
ResearcherID.COM (No.H-2715-2011)
Others
Society membership Japan Physical Society, American Chemical Society
NIMS Researchers