TY - JOUR
T1 - SO2 adsorption and transformation on calcined NiAl hydrotalcite-like compounds surfaces: An in situ FTIR and DFT study
AU - Zhao, Ling
AU - Li, Xinyong
AU - Haoa, Ce
AU - Raston, Colin
PY - 2012/5/18
Y1 - 2012/5/18
N2 - Flower-like hydrotalcite-based NiAl mixed oxides with high surface area were synthesized by urea hydrolysis approach, and employed for SO 2 removal. The catalyst was well characterized by TGA, ICP, XRD, SEM, TEM and N 2 adsorption/desorption isotherm analyses. The calcined NiAlO showed excellent SO 2 adsorption and its adsorption equilibrium was of a type I isotherm, which significantly improved the adsorption performance for low-concentration SO 2. XPS and TPD methods were conducted to identify the sulfate species. Specifically, in situ Fourier transform infrared spectroscopy revealed that adsorbed SO 2 molecules formed surface bidentate binuclear sulfate. Density functional theory based computations interpreted the vibrational data associated with the NiAlO surface and confirmed that sulfate species adopted a binuclear bidentate binding configuration on the surface of NiAlO catalyst.
AB - Flower-like hydrotalcite-based NiAl mixed oxides with high surface area were synthesized by urea hydrolysis approach, and employed for SO 2 removal. The catalyst was well characterized by TGA, ICP, XRD, SEM, TEM and N 2 adsorption/desorption isotherm analyses. The calcined NiAlO showed excellent SO 2 adsorption and its adsorption equilibrium was of a type I isotherm, which significantly improved the adsorption performance for low-concentration SO 2. XPS and TPD methods were conducted to identify the sulfate species. Specifically, in situ Fourier transform infrared spectroscopy revealed that adsorbed SO 2 molecules formed surface bidentate binuclear sulfate. Density functional theory based computations interpreted the vibrational data associated with the NiAlO surface and confirmed that sulfate species adopted a binuclear bidentate binding configuration on the surface of NiAlO catalyst.
KW - DFT
KW - In situ FTIR
KW - NiAl mixed oxides
KW - SO removal
UR - http://www.scopus.com/inward/record.url?scp=84857403330&partnerID=8YFLogxK
U2 - 10.1016/j.apcatb.2012.01.034
DO - 10.1016/j.apcatb.2012.01.034
M3 - Article
VL - 117-118
SP - 339
EP - 345
JO - Applied Catalysis B: Environmental
JF - Applied Catalysis B: Environmental
SN - 0926-3373
ER -