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Table 4 DFT-calculated binding energies of an Au single atom on Au (100), Au (110), and Au (111), respectively. Specific adsorption sites and configurations refer to Additional file 1: Figure S3

From: Concentration Effect of Reducing Agents on Green Synthesis of Gold Nanoparticles: Size, Morphology, and Growth Mechanism

Surface

Top

Bridge

Hollow

100

−1.73

−2.36

−3.04

111

−1.84

−2.54(3H) −2.58(3F)

110

−1.64

−2.17(SB) −2.55(LB)

−2.96

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