Research field (5):
Green/sustainable/environmental chemistry
, Catalytic processes and resource chemistry
, Basic physical chemistry
, Crystal engineering
, Thin-film surfaces and interfaces
Research keywords (11):
environmental catalysis
, automobile catalyst
, Oxidation
, Catalysis
, Density functional theory
, 第一原理計算
, 結晶成長
, GaAs
, ナノ材料
, 表面再構成
, 半導体ナノ構造
Research theme for competitive and other funds (7):
2018 - 2021 Unified theory of metal/metal-oxide interactions in three-way PGM catalysts
2015 - 2016 金属/酸化物接合触媒の統一的理解のための予備的理論研究
2009 - 2012 Reliability improvement of GaN transistors based on the control of electronic states and a nobel gate structure
2009 - 2010 窒化物半導体混晶のバルク準位評価とナノ構造表面制御
2009 - 2010 化合物半導体配列ナノ構造を基盤とする超接合光吸収体の創成と太陽電池応用
2009 - 2010 Stacking faults in compound semiconductor nanowires grown by selective-area vapor-phase epitaxy : A first-principles study
2001 - 2003 Theoretical study of thin film deposition processes of cubic boron nitride
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Papers (45):
Saburo Hosokawa, Yudai Oshino, Toyokazu Tanabe, Hiroaki Koga, Kosuke Beppu, Hiroyuki Asakura, Kentaro Teramura, Teruki Motohashi, Mitsutaka Okumura, Tsunehiro Tanaka. Strong Metal-Support Interaction in Pd/Ca2AlMnO5+δ: Catalytic NO Reduction over Mn-Doped CaO Shell. ACS Catalysis. 2021. 11. 13. 7996-8003
Yoshinori Ato, Akihide Hayashi, Ayaka Sonoura, Hiroaki Koga, Tamao Ishida, Makoto Tokunaga, Mitsutaka Okumura. Theoretical study of selective hydrogenolysis of methyl vinyl carbinol over Au-Ni bimetallic catalyst: Toward constructing a working hypothesis for the role of dichloroethane solvent and perimeter sites. Chemical Physics Letters. 2020. 754
Akihide Hayashi, Yoshinori Ato, Kohei Tada, Hiroaki Koga, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura. Theoretical Investigation of the Heterojunction Effect on the Catalytic Activity and Selectivity of an Au@NiO Core-Shell Catalyst in Aerobic Oxidation. The Journal of Physical Chemistry C. 2020. 124. 31. 17039-17047
Kohei Tada, Akihide Hayashi, Tomohiro Maruyama, Hiroaki Koga, Shusuke Yamanaka, Mitsutaka Okumura, Shingo Tanaka. Effect of surface interactions on spin contamination errors of homogeneous spin dimers, chains, and films: model calculations of Au/MgO and Au/BaO systems. Molecular Physics. 2020. 119. 13. 1-25
Koga Hiroaki, Miyazaki Tsuyoshi, Watanabe Satoshi, Ohno Takahisa. 27pPSA-34 Ab initio study of cBN thin film deposition. Meeting abstracts of the Physical Society of Japan. 2004. 59. 1. 896-896