Skip to main content

Advertisement

Table 2 Interaction energies between Au NPs and surfactants (units: kcal · mol−1)

From: Synthesis of Gold Nanoparticles with Buffer-Dependent Variations of Size and Morphology in Biological Buffers

Models E total E Au E sufactant E interaction
Au-PIPES −2007.217 −1738.508 −184.083 −84.626
Au-MES −1898.38 −1739.591 −103.473 −55.316
Au-PIPES SS −1786.62 −1739.174 19.564 −67.01
Au-TAPSO −1824.456 −1739.76 −24.486 −60.21
Au-TAPS −1937.396 −1738.749 −119.521 −79.126
Au-TES −1854.747 −1738.22 −58.735 −57.792
Au-TEA −1777.972 −1740.113 5.0987 −42.958
Au-Bicine −1728.022 −1740.200 −61.392 −49.214
Au-BTM −1776.327 −1739.937 9.235 −45.625
Au-BTP −1719.565 −1738.734 86.598 −67.429
Au-PSTT −1750.056 −1741.751 30.412 −38.717