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Insights into the Adsorption and Decomposition Mechanisms of Tar Typical Model Compounds (benzene, Toluene and Phenol) on Ni(111) Surface by DFT Calculations

Heng Chen,Junguang Meng,Xinye Wang,Shiwei Ma,Changsheng Bu,Jubing Zhang,Changqi Liu,Hao Xie

JOURNAL OF THE ENERGY INSTITUTE（2024）

Cited 5|Views10
Key words
Tar modeling compounds,Adsorption,Decomposition,Ni-based catalysts,Density functional theory
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