Oxygen Structures on Gold

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3D animation of atomic oxygen structures on an Au55 particle (a gold particle with a diameter of 1 nm):

(A) isolated O atom in a threefold site,

(B) Au2-O-Au-O-Au2 structure with O atoms in threefold sites forms on Au(111)-like (flat) surfaces by forcing one of the Au atoms out of the surface,

(C) Au-O-Au-O-Au structure with O atoms in bridge sites forms on surfaces with coordinatively unsaturated Au atoms.

 

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Oxygen structures on Au surfaces and their vibrational frequencies (cm-1) obtained with DFT calculations using multiple Au surfaces, ranging from surfaces of small Au clusters to a flat surface of Au(111).

atomic oxygen
on a threefold site		 atomic oxygen
on a bridge site		 atomic oxygen as
Au2-O-Au-O-Au2		 atomic oxygen as
Au-O-Au-O-Au		 molecular oxygen
on a threefold site		 molecular oxygen
on a bridge site
ν(O-Au) ν(O-Au) νs(O-Au-O) νs(O-Au-O) ν(O-O) ν(O-O)
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Kai Liu, Tao Chen, Shuyue He, Jason P. Robbins, Simon G. Podkolzin, Fei Tian.

"Observation and Identification of an Atomic Oxygen Structure on Catalytic Gold Nanoparticles".

Angewandte Chemie 2017, 129, 13132–13137. DOI: 10.1002/ange.201706647.

Angewandte Chemie - International Edition, 2017, 56, 12952–12957. DOI: 10.1002/anie.201706647.