期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 118, 期 41, 页码 23853-23862出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp507963y
关键词
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资金
- Italian Ministry for Research and University (MIUR) [PRIN 2009BLNJC5]
Carbon monoxide adsorption on nanosize ZnS has been investigated by FTIR spectroscopy and periodic DFT calculations. FTIR experiments show that CO adsorption on the zinc sulfide nanoparticles gives rise to a single main v(CO) band indicating that the majority of the exposed sites are on the same surface. Computed adsorption energies (-0.244/0.207 eV for the low and high coverage, respectively) and stretching frequencies (2182/2172 cm(1)) of CO adsorbed at the most stable (110) ZnS surface are in excellent agreement with observations (v(CO) = 2190/2168 cm(1)). CO is weakly bound to the Zn2+ Lewis acid surface site mainly through electrostatic interaction and a small contribution from s donation. The strength of surface Lewis sites in ZnS is lower with respect to ZnO.
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