Combinatorial Computational Chemistry Approach to the Design of Metal Oxide Electronics Materials
Document Type
Article
Subject Area(s)
Chemistry, Engineering
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.
Publication Info
Published in Proceedings of SPIE, Volume 22, Issue 5, 2000, pages 851-861.
Rights
Belosludov Rodion, S. S. C. 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 (2000).
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