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Proceedings Paper

Combinatorial computational chemistry approach to the design of metal oxide electronics materials
Author(s): Belosludov Rodion; S. Salai Cheettu Ammal; Yusaku Inaba; Yasunori Oumi; Seiichi Takami; Momoji Kubo; Akira Miyamoto; Masashi Kawasaki; Mamoru Yoshimoto; Hideomi Koinuma
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Paper Abstract

Combinatorial chemistry has been developed as an experimental method where it is possible to synthesize hundreds of samples all at once and examine their properties. Recently, we introduced the concept of combinatorial approach to computational chemistry for material design and proposed a new method called `a combinatorial computational chemistry'. In this approach, the effects of large number of dopants, substrates, and buffer layers on the structures, electronic states, and properties of metal oxide electronics material is estimated systematically using computer simulations techniques, in order to predict the best dopant, substrate, and buffer layer for each metal oxide electronics materials.

Paper Details

Date Published: 17 May 2000
PDF: 9 pages
Proc. SPIE 3941, Combinatorial and Composition Spread Techniques in Materials and Device Development, (17 May 2000); doi: 10.1117/12.385414
Show Author Affiliations
Belosludov Rodion, Tohoku Univ. (Japan)
S. Salai Cheettu Ammal, Tohoku Univ. (Japan)
Yusaku Inaba, Tohoku Univ. (Japan)
Yasunori Oumi, Tohoku Univ. (Japan)
Seiichi Takami, Tohoku Univ. (Japan)
Momoji Kubo, Tohoku Univ. (Japan)
Akira Miyamoto, Tohoku Univ. (Japan)
Masashi Kawasaki, Tokyo Institute of Technology (Japan)
Mamoru Yoshimoto, Tokyo Institute of Technology (Japan)
Hideomi Koinuma, Japan Science and Technology Corp. and Tokyo Institute of Technology (Japan)

Published in SPIE Proceedings Vol. 3941:
Combinatorial and Composition Spread Techniques in Materials and Device Development
Ghassan E. Jabbour, Editor(s)

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