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Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2020.110174
Abstract: Abstract The stability of CH4, CO2, and H2S in four two-dimensional hydrates, denoted as 2D-I, 2D-II, 2D-III, and 2D-IV, was investigated by the first-principle calculations and molecular dynamics simulations. The result shows that two-dimensional CH4…
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Keywords:
ch4 co2;
two dimensional;
co2 h2s;
stability ch4 ... See more keywords