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Theoretical study of NO decomposition on Cu-ZSM-5 catalyst models

✍ Scribed by Yasunori Yokomichi; Hirofumi Ohtsuka; Takeshi Tabata; Osamu Okada; Yasuharu Yokoi; Hideyuki Ishikawa; Ryuichi Yamaguchi; Hisaji Matsui; Akitomo Tachibana; Tokio Yamabe

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
284 KB
Volume
23
Category
Article
ISSN
0920-5861

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## Abstract The decomposition mechanisms of methanol on five different Pt surfaces, the flat surface of Pt(111), Pt‐defect, Pt‐step, Pt(110)(1 Γ— 1), and Pt(110)(2 Γ— 1), have been studied with the DFT‐GGA method using the repeated slab model. The adsorption energies under the most stable configurati