Computational insights into interactions between Hg species and α-Fe2O3 (0 0 1)

Fuel

Volumn 90, Issue 5, 2011, Pages 1840-1846

  Guo, Pan ^a   Guo, Xin ^a   Zheng, Chu Guang ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Density Functional Theory; Dissociation; Hemitite; Mercury

Indexed keywords

BINDING MECHANISMS; DISSOCIATIVE ADSORPTION; ENERGY DIAGRAM; FIRST PRINCIPLE CALCULATIONS; HEMITITE; MERCURY; MERCURY REMOVAL; MERCURY SPECIES;

BINDING ENERGY; DESORPTION; DISSOCIATION; FLY ASH; MERCURY (METAL); MERCURY COMPOUNDS; PHYSISORPTION;

DENSITY FUNCTIONAL THEORY;

EID: 79952533535     PISSN: 00162361     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fuel.2010.11.007     Document Type: Article

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