Table 1 Dimensions and number of molecules for the six types of cellulose II nanocrystal models.

6A6

6 \(({1}\; \overline{{1}} \; {0)}\) × 6(1 1 0) × 6 \((\overline{{1}} \; {1}\; {2})\)

36

6

12,532

6A12

6 \({(1}\; \overline{{1}} \; {0)}\) × 6(1 1 0) × 12 \((\overline{{1}} \; {1}\; {2)}\)

36

12

16,299

6A19

6 \(({1}\; \overline{{1}} \; {0)}\) × 6(1 1 0) × 19 \((\overline{{1}} \;{1}\; {2)}\)

36

19

37,444

10A12

10 \({(1}\; \overline{{1}} \;{0)}\) × 10(1 1 0) × 12 \((\overline{{1}} \; {1}\; {2)}\)

100

12

45,148

6B12

6 \({(1}\; \overline{{1}} \; {0)}\) × 6(1 1 0) × 12 \((\overline{{2}} \;{2}\; {1)}\)

36

12

20,576

6O12

6 \({(1}\; \overline{{1}} \;{0)}\) × 6(1 1 0) × 12 \({(0}\;{ 0}\;{ 1)}\)

36

12

12,171