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Figure 9
Distribution superposition of S atoms and hydrogen bonds of the α polymorph with (a)–(d) no vacancy defects, (e)–(h) low vacancy-defect density and (i)–(l) high vacancy-defect density from 0 to 10 ns. The red dot density reflects the molecular trajectory and the blue lines represent the hydrogen bond formation. The more concentrated distribution suggests a slight movement and the discrete distribution indicates a large molecular displacement.

Volume 8| Part 4| July 2021| Pages 584-594
ISSN: 2052-2525