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DFT study on the adsorption characteristics of NH3 and CO on FeO surfaces and their influence on iron whisker formation

delete2026-08-04
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PRE
AI
H
Huilong Dang
F
Fanrui Meng *
X
Xianchun Li *
S
Shouhan He
S
Shuang Liu
DOI：10.1016/j.fuel.2026.140870delete
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Abstract

Abstract

En 中文
• NH3 bypasses H2 limits and provides a solution to sticking in reduction fluidization. • NH3 dominates later stage of FeO reduction due to low desorption barrier of H2O. • NH3 undergoes heterolysis at O top site of FeO(111), forming H2O via O–H and Fe-N. • Small size, high diffusivity, low collision of H2 from NH3 suppress iron whisker. • This work offers a mechanistic basis for the FeO–NH3 reduction process.

Journal

Fuel cover
Fuel
IF:
7.5
Papers:
3.8W
Citations:
16.7W

Organization

U
university of science and technology liaoning
Scholars:
407
Papers: 125
Citations: 0
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