Gold-based plasmonic nanocrystals have been extensively developed for noninvasive photothermal therapy. In this study, gold nanorods (AuNRs) with (200) plane and gold nanobipyramids (AuNBPs) with (111) plane were utilized as photothermal agents for noninvasive photothermal therapy. With longitudinal surface plasma bands at ~808 nm, both of AuNRs and AuNBPs revealed photothermal capability and reversibility of laser response under 808-nm near-infrared (NIR) laser irradiation. Moreover, AuNBPs with (111) plane exhibited higher photothermal performance than that of AuNRs with (200) plane under NIR laser irradiation. Density function theory (DFT) simulations revealed that water adsorption energy followed the order Au(111) < Au(100), indicating that the water was easily desorbed on the Au(111) surface for photothermal heating. For the photothermal therapy against Escherichia coli (E. coli), AuNBPs also exhibited higher efficiency compared to that of AuNRs under NIR laser irradiation. Combination of experimental photothermal therapy and DFT simulations demonstrated that AuNBPs with (111) plane were better photothermal agents than that of AuNRs with (100) plane.

Original languageEnglish
Article number124617
JournalJournal of Hazardous Materials
Publication statusPublished - 5 Apr 2021


  • Antibacterial toxicity
  • Gold nanobipyramids
  • Gold nanorods
  • Near-infrared irradiation
  • Photothermal performance


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