@article{luo_qian_sagui_roland_2008, title={Amino acid adsorption on the Si(100) surface: The case of glycine}, volume={112}, ISSN={["1932-7455"]}, DOI={10.1021/jp0775193}, abstractNote={Using first principles total energy methods, we have investigated the adsorption of glycinethe simplest amino acidon the Si(100)- c(4 × 2)surface, with a focus on the associated energetics, charge transfer, electronic properties, and structural characteristics. We find that glycine adsorbs primarily on the “down” atoms of a Si dimer, with adsorption of the amino group being slightly favored over the absorption of the carboxylic acid group. Glycine on Si(100) may also involve the removal of a H atom from the chemical group most directly absorbed. In addition, there is evidence for a [2 + 2] cycloaddition reaction when both “CO” atoms absorb, as well as the more drastic breakup of the glycine molecule and the formation of a ketenimine molecule under high-energy conditions.}, number={7}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Luo, Xuan and Qian, Gefei and Sagui, Celeste and Roland, Christopher}, year={2008}, month={Feb}, pages={2640–2648} }