Study on NO Heterogeneous Reduction Mechanism under Gasification Condition

Study on NO Heterogeneous Reduction Mechanism under Gasification Condition

Chemisorption of NO and successive heterogeneous reduction mechanisms on the well-defined char models under carbon/char-CO2 gasification condition were investigated using density functional theory at the B3LYP/6-31G (d) level of theory. The characteristics of gasification process were concluded and...

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Bibliographic Details
Main Authors:	Xiangyong Huang, Chengbin Zhang, Xiaochuan Li, Che Huang
Format:	Article
Language:	English
Published:	Hindawi Limited 2016-01-01
Series:	Journal of Nanomaterials
Online Access:	http://dx.doi.org/10.1155/2016/1735929

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