期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 12, 期 37, 页码 11785-11790出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c004229c
关键词
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资金
- CONICET
- Welch foundation [AX-1615]
- ICNAM of the University of Texas
- Secyt-UNC
- Program BID [PICT 2007-00340, 2006-0946, PME 2006-1581]
In the present work new findings on the structure of the S-Au interface are presented. Theoretical calculations using a new semiempirical potential, based on density functional theory and a bond-order Morse potential, are employed to simulate the adsorption process in a more realistic way. The simulation results reveal the formation of gold adatoms on the nanoparticle surface and high surface disorder due to the strong S-Au bond. Experimental data were acquired by aberration (Cs) corrected scanning transmission electron microscopy (STEM) using a high angle annular dark field detector (HAADF) that showed a great similarity with the theory predicted.
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