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First principles computational study on the adsorption mechanism of organic methyl iodide gas on triethylenediamine impregnated activated carbonChun, Hoje; Kang, Joonhee; Han, Byungchan · Phys. Chem. Chem. Phys. · 2016
First Principles Study of the Stability and Diffusion Mechanism of a Carbon Vacancy in the Vicinity of a SiO <sub/>2</sub> /4H‐SiC InterfaceAlsnani, Hind; Goss, J. P.; Briddon, P. R.; Rayson, M. J.; Horsfall, A. B. · physica status solidi (a) · 2019