TiO2_110x-CNT66Y.all_Δφ.ANI
收藏Mendeley Data2024-03-27 更新2024-06-26 收录
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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：
2024-01-23
