Potential Energy Surface Profile of the Oxygen Reduction Reaction on a Pt Cluster: Adsorption and Decomposition of OOH and H 2 O 2
β Scribed by Wang, Yixuan; Balbuena, Perla B.
- Book ID
- 121870935
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 263 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1549-9618
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
By combmmg temperature programmmg uxh static secondary 1011 mass specrromctry (TPSSISIS) rhe surixe re=rmnge-men1 of water on cle311 and oxygen-covered PI(I 11) hx been followed. Surface reactIons, uvh and uvthour dcsqtlon, arc dclecled providmg data complcmenwr) to elsctron spectroscopy .md thermal
The determination of minima and saddle points on the potential energy surfaces of the hydrogen bonded species 02-HF and 0,-H20 is performed with unrestricted Hartree-Fock calculations. Geometries, electron density distributions, and relative energies for every stationary point are reported. Only one