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The National Agricultural Library is one of four national libraries of the United States, with locations in Beltsville, Maryland and Washington, D.C. It houses one of the world's largest and most accessible agricultural information collections and serves as the nexus for a national network of state land-grant and U.S. Department of Agriculture field libraries. In fiscal year 2011 (Oct 2010 through Sept 2011) NAL delivered more than 100 million direct customer service transactions.

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Journal Article

Journal Article

adsorption mechanism of elemental mercury on CuO (110) surface  [2012]

Xiang, Wenjuan; Liu, Jing; Chang, Ming; Zheng, Chuguang;

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Understanding the impact of CuO in selective catalytic reduction (SCR) process for elemental mercury removal will broaden the applicability of SCR system in Hg removal strategies. First principles quantum mechanical methods based on density functional theory were used to investigate the adsorption mechanism of Hg on CuO (110) surface. The CuO (110) surface was represented by a periodic model, and different adsorption sites were considered. The electronic structural changes upon adsorption were also studied to better understand the surface reactivity. The results show that elemental mercury binds weakly to the O-terminated CuO (110) surface, which indicates a physisorption mechanism. On the contrary, Hg is strongly adsorbed on the Cu-terminated CuO (110) surface and chemisorption is the likely adsorption mechanism. The adsorption of Hg on CuO (110) surface is mainly by the Cu-terminated mode. Cuₛᵤb top is the most advantageous adsorption site with an adsorption energy of −116.76kJ/mol. In addition, bond population analysis indicates that Hg atom preferably adsorbs on CuO (110) surface with the bonding of Cu atoms. According to the calculation of the partial density of states of the surface atoms, strong mercury interactions with the surface cause a significant overlap between the d-state of mercury and the s-states of Cu.
From the journal
Chemical engineering journal
ISSN : 1385-8947

Bibliographic information

Language:
English
Type:
Journal Article
In AGRIS since:
2015
Volume:
200-202
Start Page:
91
End Page:
96
Publisher:
Elsevier B.V.
All titles:
"adsorption mechanism of elemental mercury on CuO (110) surface"@eng
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Bibliographic information

Language:
English
Type:
Journal Article
In AGRIS since:
2015
Volume:
200-202
Start Page:
91
End Page:
96
Publisher:
Elsevier B.V.
All titles:
"adsorption mechanism of elemental mercury on CuO (110) surface"@eng