Hydrogen vibrational density of states of adsorbed water on rare-earth modified zirconia

Conference · Wed Jul 20 04:00:00 EDT 1994

OSTI ID:10188504

Loong, C K; Iton, L E ^[1]; Ozawa, Masakuni ^[2]

---

1. Argonne National Lab., IL (United States)
2. Nagoya Institute of Technology, Gifu (Japan)

Rare-earth (RE) doped ZrO{sub 2} prepared by a method of coprecipitation from aqueous solution shows many properties such as good thermal stability and large surface area ({approximately}80 m{sup 2}/g) that are suitable for use as catalyst supports and sorbents for a variety of molecules. The authors have measured the vibrational densities of states of surface hydroxyl groups as well as physisorbed water molecules in La{sub 0.1}Zr{sub 0.9}O{sub 1.95} and Nd{sub 0.1}Zr{sub 0.9}O{sub 1.95} by inelastic neutron scattering. The spectrum of dry RE-ZrO{sub 2} exhibits a peak at about 455 meV characteristic of the O-H stretch vibrations of surface hydroxyl groups. At a submonolayer coverage of H{sub 2}O this peak broadens and shifts to a slightly lower energy. At higher coverage three bands, corresponding to the O-H stretch ({approximately}430 meV), H-O-H bend ({approximately}200 meV) and librational motion ({approximately}80 meV), were observed. The decreasing energy and larger width of the OH stretch band with increasing H{sub 2}O coverage indicate the influence of hydrogen bonding on the motion of water molecules.

• Research Organization: Argonne National Lab., IL (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 10188504
• Report Number(s): ANL/IPNS/CP--83105; CONF-9410165--5; ON: DE95001127
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201
ADSORPTION
CHEMICAL AND PHYSICOCHEMICAL PROPERTIES
INELASTIC SCATTERING
LANTHANUM
NEODYMIUM
NEUTRON SPECTROSCOPY
SORPTIVE PROPERTIES
VIBRATIONAL STATES
WATER
ZIRCONIUM OXIDES