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Amounts of charges (e) carried by the DOX and DOXH+ in adsorption complexes at PM6-DH2.
| CNT (n,n) | Encapsulation | Sidewall Adsorption | ||
|---|---|---|---|---|
| DOX | DOXH+ | DOX | DOXH+ | |
| (7,7) | −0.0066 | −0.0067 | −0.1332 | −0.1601 |
| (8,8) | −0.0070 | −0.0072 | −0.0597 | −0.0730 |
| (9,9) | −0.0084 | −0.0099 | −0.0386 | −0.0512 |
| (10,10) | −0.0100 | −0.0104 | −0.0275 | −0.0366 |
| (11,11) | −0.0109 | −0.0091 | −0.0252 | −0.0316 |
| (12,12) | −0.0108 | −0.0102 | −0.0246 | −0.0278 |
| (13,13) | −0.0096 | −0.0086 | −0.0235 | −0.0273 |
| (14,14) | −0.0094 | −0.0101 | −0.0224 | −0.0251 |
