The influences of selenium species on mercury removal over pyrite surface: A density functional theory study

Qu, Wenqi; Zu, Hongxiao; Yang, Jianping; Yang, Zhaoguang; Xu, Hong; Li, Hailong

doi:10.1016/j.fuel.2021.120284

Cited by 18 publications

(2 citation statements)

References 52 publications

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“…As a result of the incomplete coordination structure, surface M sites prefer to accept foreign electrons. − Thus, through attracting valence electrons in Hg atomic orbitals, surface M sites can react with Hg 0 to form a Hg–M alloy. − The formation is primarily attributed to the hybridization between the Hg 6s orbital and the outer electron-deficient orbitals of the M site . Nonetheless, a fully occupied electron shell and relativistic effect significantly enhance the chemical inertness of Hg 0 , which weakens the interaction between the Hg atom and M site in the Hg–M alloy. , Hence, the adsorption of Hg 0 at M sites belongs to physical or weak chemical adsorption (Table ).…”

Section: Raw Metal Sulfidesmentioning

confidence: 99%

“…29−31 The formation is primarily attributed to the hybridization between the Hg 6s orbital and the outer electron-deficient orbitals of the M site. 33 Nonetheless, a fully occupied electron shell and relativistic effect significantly enhance the chemical inertness of Hg 0 , which weakens the interaction between the Hg atom and M site in the Hg−M alloy. 34,35 Hence, the adsorption of Hg 0 at M sites belongs to physical or weak chemical adsorption (Table 1).…”

Section: Raw Metal Sulfidesmentioning

confidence: 99%

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Mechanisms of Gas-Phase Mercury Immobilized by Metal Sulfides from Combustion Flue Gas: A Mini Review

Deng

et al. 2022

Energy Fuels

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Atmospheric mercury (Hg) pollution has attracted global attention as a result of its great harm to the ecosystem. By virtue of abundant surface Hg-philic sulfur sites, metal sulfides have been regarded as a promising Hg adsorbent. The Hg adsorption performance of metal sulfides is mainly determined by the distribution of surface active sites; thus, it is crucial to understand the interactions between the Hg atom and different surface sites. In this review, the immobilization mechanism of the Hg atom over metal sulfides was systematically summarized. First, the roles of surface active sites, i.e., metal and sulfur sites, played in Hg 0 adsorption were systematically elaborated, to explain the excellent performance of metal sulfides. Second, the improvement on the Hg 0 adsorption ability of engineered metal sulfides was attributed to the reasonable regulation of surface unsaturation and the introduction of alien active sites. Eventually, the effects of flue gas components on mineral sulfides were illuminated from the perspective of the introduction/consumption of surface active sites. The objective of this review was to interpret the detailed Hg 0 immobilization mechanism and to provide guidance for developing metal-sulfide-based sorbents, and the future prospects and challenges related to the Hg 0 adsorption mechanism by metal sulfides were discussed.

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