Primary and processed data files obtained by the Bill group in relation to the figures appearing in the journal article and supporting information are included. Specifically, Atomic force microscopy (AFM) images of bare ZnO(101̄0) surface and ZnO surface immobilized with 3-azidopropyl thiol, X-ray photoelectron spectroscopy (XPS), proton nuclear magnetic resonance (¹H - NMR) and Fourier transform infrared spectroscopy - attenuated total reflectance (FTIR-ATR) data are provided. The labelling used is the same as that of the publication.

ACD/Spectrus Processor Software (product version 10.02) was used to open .rar files for plotting NMR data. OMNIC™ Series Software (7.3.109 version 1.02) was used to open .SPA files for plotting FTIR data. NanoScope Analysis software was used to open raw AFM images (here files with extension .002 and .003).