TiO2_110x-CNT66Y.all_Δφ.ANI
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https://data.mendeley.com/datasets/ny25mps867
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资源简介：
# this file includes the 5 optimized structures of CNT(6,6) at a rutile (110) surface as described
# in a paper: "A tight-binding model of a carbon nanotube interacting with TiO2 rutile (110)"
# by Tomasz Kostyrko, accepted to Applied Surface Science
# the optimized structures correspond to different rotations of the CNT
# around its longitudinal symmetry axis
# the angles of rotation are in sequence: 0,5,10,15,20 degrees
# recommended viewer: jmol
创建时间：
2020-12-22
