Meng, ShengWang, Wei L.Maragakis, PaulKaxiras, Efthimios2019-09-202007Meng, Sheng, Wei L. Wang, Paul Maragakis, and Efthimios Kaxiras. 2007. “Determination of DNA-Base Orientation on Carbon Nanotubes through Directional Optical Absorbance.” Nano Letters 7 (8): 2312–16. https://doi.org/10.1021/nl070953w.1530-69841530-6992http://nrs.harvard.edu/urn-3:HUL.InstRepos:41384049We develop an approach for determining the orientation of DNA bases attached to carbon nanotubes (CNTs), by combining ab initio time-dependent density functional theory and optical spectroscopy measurements. The structures we find are in good agreement with the geometry of nucleosides on a (10,0) CNT obtained from molecular simulations using empirical force fields. The results shed light into the complex interactions of the DNA-CNT system, a candidate for ultrafast DNA sequencing through electronic probes.en-USJournal Article2019-09-2010.1021/nl070953w