Adsorption of 2, 3, 7, 8-tetrachlorodibenzo-p-dioxin (TCDD) on pristine, defected and Al-doped carbon nanotube: A dispersion corrected DFT study

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Title
Adsorption of 2, 3, 7, 8-tetrachlorodibenzo-p-dioxin (TCDD) on pristine, defected and Al-doped carbon nanotube: A dispersion corrected DFT study
Authors
Keywords
Al-doped CNT, TCDD, DFT-D, Adsorption, Hazardous materials
Journal
VACUUM
Volume 136, Issue -, Pages 51-59
Publisher
Elsevier BV
Online
2016-11-18
DOI
10.1016/j.vacuum.2016.11.025

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