Combinatorial computational chemistry approach to the design of metal oxide electronics materials

Belosludov Rodion; S. Salai Cheettu Ammal; Yusaku Inaba; Yasunori Oumi; Seiichi Takami; Momoji Kubo; Akira Miyamoto; Masashi Kawasaki; Mamoru Yoshimoto; Hideomi Koinuma

doi:10.1117/12.385414

17 May 2000 Combinatorial computational chemistry approach to the design of metal oxide electronics materials

Belosludov Rodion, S. Salai Cheettu Ammal, Yusaku Inaba, Yasunori Oumi, Seiichi Takami, Momoji Kubo, Akira Miyamoto, Masashi Kawasaki, Mamoru Yoshimoto, Hideomi Koinuma

Author Affiliations +

Proceedings Volume 3941, Combinatorial and Composition Spread Techniques in Materials and Device Development; (2000) https://doi.org/10.1117/12.385414
Event: Symposium on Integrated Optoelectronics, 2000, San Jose, CA, United States

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.

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Belosludov Rodion, S. Salai Cheettu Ammal, Yusaku Inaba, Yasunori Oumi, Seiichi Takami, Momoji Kubo, Akira Miyamoto, Masashi Kawasaki, Mamoru Yoshimoto, and Hideomi Koinuma "Combinatorial computational chemistry approach to the design of metal oxide electronics materials", Proc. SPIE 3941, Combinatorial and Composition Spread Techniques in Materials and Device Development, (17 May 2000); https://doi.org/10.1117/12.385414

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