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Autor:
Madison B. Martinez, Romit Chakraborty, Craig M. Brown, Jacob Tarver, Katherine E. Hurst, Stephen A. FitzGerald, Brandon R. Barnett, Hayden A. Evans, Martin Head-Gordon, Gregory M. Su, Lena M. Funke, Henry Z. H. Jiang, Benjamin A. Trump, Thomas Gennett, Jeffrey A. Reimer, Didier Banyeretse, Walter S. Drisdell, Matthew N. Dods, Tyler J. Hartman, Jeffrey R. Long, Jonas Börgel
Publikováno v:
Journal of the American Chemical Society. 143:14884-14894
Coordinatively unsaturated metal sites within certain zeolites and metal-organic frameworks can strongly adsorb a wide array of substrates. While many classical examples involve electron-poor metal cations that interact with adsorbates largely throug
Autor:
Li Song, Tong-Bu Lu, Hong-Juan Wang, Xiang-Wei Guo, Hong Lin, Zhi-Ming Zhang, Shuangming Chen
Publikováno v:
Journal of Materials Chemistry A. 7:19831-19837
A series of Mo single-atom catalysts were prepared by calcining a low-cost primary material of urea with various amounts of Na2MoO4·2H2O. Isolated Mo centers are immobilized on in situ formed polymeric carbon nitride via coordinating with two N dono
Publikováno v:
Applied Physics A. 127
First-principles calculations based on density functional theory (DFT-D2 method) are employed to systematically investigate the adsorption behaviors of toxic gas molecules (H2S, SO2 and NO2) on pristine and metal (Li, Al, Ni and Pt) decorated blue ph
Publikováno v:
Catalysis Today. 147:68-76
Catalytic conversion of CO2 to liquid fuels has the benefit of reducing CO2 emission. Adsorption and activation of CO2 on the catalyst surface are key steps of the conversion. Herein, we used density functional theory (DFT) slab calculations to study
Autor:
Che-Chen Chang, Chien-Hwa Lung
Publikováno v:
Journal of the Chinese Chemical Society. 53:1419-1426
The continuing advances in miniaturization of semiconductor devices have seriously challenged contact technology. This work explored the chemical reaction involved in the bottom-up formation of metal contacts using a linear atomic metal string chelat
Autor:
Alexey A. Tsyganenko, O. V. Manoilova, E.N. Storozheva, Marco Daturi, T. Lesage, Jean-Claude Lavalley
Publikováno v:
Catalysis Letters. 70:159-163
Surface silanol groups of silica, which never revealed any Bronsted acidity, are shown to donate protons to adsorbed basic molecules, such as ammonia, pyridine or 2,6-dimethylpyridine, after addition of acids such as SO2 or NO2. The latter, when coad
Autor:
Kana M. Mukherjee, T. N. Misra
Publikováno v:
Bulletin of the Chemical Society of Japan. 70:301-305
Surface enhanced Raman spectra (SERS) of 2- and 3-bromothiophene molecules in silver sol are compared with those of molecules in acetonitrile solution. The experimental results suggest that the 2-isomer is adsorbed on the metal surface through both t
Publikováno v:
Chemistry Letters. 7:83-86
Based on the IR spectroscopic study of the reaction products between iron vapor and nitric oxide, which can be regarded as a model of chemisorbed species, the IR absorption bands of nitric oxide adsorbed on iron at 1800 and 1720 cm−1 are attributed
Publikováno v:
Bulletin of the Chemical Society of Japan. 47:2847-2850
The hydrogen redistribution reaction between d0-acetone and d6-acetone was carried out at −10–60 °C over ZnO catalysts subjected to various modes of pretreatment. The activity of ZnO was several times larger than that of Zn metal, being hardly a
Autor:
Gregory S. McNulty, John S. O. Evans
Publikováno v:
Journal of the Chemical Society, Dalton Transactions. :1123
The reactions between [Ru3(CO)12] and SiO2, TiO2, and Al2O3 have been studied by electronic and i.r. spectroscopy using 13C isotopic substitution. The complex [Ru3(µ-H)(CO)10(µ-OSi)] was initially generated on silica, but this oxidised in air to [R