Density Functional Theory Studies of the Adsorption and Interactions between Selenium Species and Mercury on Activated Carbon
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DOI: 10.1021/acs.energyfuels.0c00759
Abstract: Mercury and selenium are two typical heavy metal pollutants in coal combustion flue gas. The adsorption mechanism of Se0 and SeO2 over activated carbon(AC) adsorbent and the specific role of seleni... read more here.
Keywords: density functional; theory studies; selenium; functional theory ... See more keywords
Density functional theory studies on N4 and N8 species: Focusing on various structures and excellent energetic properties
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2022.993036
Abstract: All-nitrogen materials, as a unique branch of energetic materials, have gained huge attentions, of which cyclo-N 5 − derivatives are the representative synthetically reported materials. However, the energetic performance of cyclo-N 5 − compounds has… read more here.
Keywords: theory studies; studies species; functional theory; energetic properties ... See more keywords