Oxygen Structures on Gold

Home Courses Labs Location Publications

 

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.

 

horizontal rule

 

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)
373-431 451-467 450-508 546-558 1076 1049-1185

horizontal rule

 

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, 1313213137. DOI: 10.1002/ange.201706647.

Angewandte Chemie - International Edition, 2017, 56, 1295212957. DOI: 10.1002/anie.201706647.