Gold nanoclusters (AuNCs) are atomic architectures that can be precisely tailored for catalytic applications. In this work, we studied two benchmark AuNCs, Au(SR) and Au(SR), covered by aromatic and aliphatic ligands to envision how the 3D structure of the ligand impacts the stability of the nanomaterial. Surprisingly, we found that increasing the alkanethiol length has a poor or null effect on the stability of the AuNCs, a trend opposite to that on Au(111) surfaces.
View Article and Find Full Text PDFSulfur adsorption on Au(111) at high coverage has been studied by density functional calculations. In this case S species organize into rectangular structures containing 8 S atoms irrespective of the S source, which have been alternatively assigned to adsorbed monomeric S, adsorbed S, adsorbed monomeric plus S species, and gold sulfide. We found that monomeric S at the high coverage organizes into S species that are stabilized into the 8-S structures by Au adatoms, forming gold disulfide complexes (Au-(S)).
View Article and Find Full Text PDFThe increasing incidence of infections in implantable devices has encouraged the search for biocompatible antimicrobial surfaces. To inhibit the bacterial adhesion and proliferation on biomaterials, several surface functionalization strategies have been developed. However, most of these strategies lead to bacteriostatic effect and only few of these are able to reach the bactericidal condition.
View Article and Find Full Text PDFMetal-organic coordination networks self-assembled on surfaces have emerged as functional low-dimensional architectures with potential applications ranging from the fabrication of functional nanodevices to electrocatalysis. Among them, bis-pyridyl-bispyrimidine (PBP) and Fe-PBP on noble metal surfaces appear as interesting systems in revealing the details of the molecular self-assembly and the effect of metal incorporation on the organic network arrangement. Herein, we report a combined STM, XPS, and DFT study revealing polymorphism in bis-pyridyl-bispyrimidine adsorbed adlayers on the reconstructed Au(111) surface.
View Article and Find Full Text PDFThe electronic structure of aromatic and aliphatic thiols on Au(111) has been extensively studied in relation to possible applications in molecular electronics. In this work, the effect on the electronic structure of an additional anchor to the S-Au bond using 6-mercaptopurine as a model system has been investigated. Results from X-ray photoelectron spectroscopy, near-edge X-ray absorption fine structure spectroscopy, and density functional theory (DFT) confirm that this molecule adsorbs on Au(111) with S-Au and iminic N-Au bonds.
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