Density functional calculations for H2 adsorption on Fe(OH) 3 by considering molecular orientation

Density functional calculations for H2 adsorption on Fe(OH) 3 by considering molecular orientation

H2 adsorption on Fe(OH)3 is investigated by using the density functional theory (DFT) for the H2 molecular orientation θ= 10° with respect to the surface normal and that for the H 2 molecular orientation θ = 70°. From the PES results of H2-Fe(OH)3 system, we find that for the H2 molecular orientatio...

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書目詳細資料
Main Authors:	Muhida, Rifki, Susanto, Agus, Kishi, Tomoya, Roman, Tanglaw, Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki
格式:	text
出版:	Animo Repository 2005
主題:	Hydrogen—Absorption and adsorption Binding energy Iron compounds Density functionals Physics
在線閱讀:	https://animorepository.dlsu.edu.ph/faculty_research/4555
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!

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