H-2 Adsorption on Cu(I)-SSZ-13

Date

2018-01-11

Author

İpek Torun, Bahar
Brown, Craig M.
Üner, Deniz

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

82
views

0
downloads

We report H-2 adsorption capacities reaching 0.05 wt % at 303 K and at 1 atm H-2 pressure on solid-state CuCl-exchanged [Al]-SSZ-13 and [B]-SSZ-13 zeolites. Differential heat of H-2 adsorption is found in the range between 16 and 48 kJ mol H-2(-1) on Cu(I)-SSZ-13 at 323 K and isosteric heat of adsorption is found between 20 and 55 kJ mol H-2(-1) on Cu(I)-[B]-SSZ-13 at temperatures between 293 and 323 K. Strong interactions between H-2 and the copper cations in Cu(I)-SSZ-13 are evidenced using Rietveld refinements of neutron powder diffraction patterns revealing Cu-deuterium (D-2) distances of 2.3(2) and 2.41(1) angstrom. A temperature dependent Cu(I) migration-away from the six-membered ring (6MR) and eight-membered ring (8MR)-is related to the high adsorption capacities of the samples at 303 K. At 10 K, access to Cu(I) at 6MR is sterically hindered by framework oxygen atoms (Cu-O-framework distance of 2.196(5) angstrom), rationalizing the low H-2 adsorption capacities of Cu(I)-SSZ-13 samples as compared to Na-SSZ-13 at 77 K.

Subject Keywords

General Energy, Physical and Theoretical Chemistry, Electronic, Optical and Magnetic Materials, Surfaces, Coatings and Films

URI

https://hdl.handle.net/11511/39714

Journal

JOURNAL OF PHYSICAL CHEMISTRY C

DOI

https://doi.org/10.1021/acs.jpcc.7b09963

Collections

Department of Chemical Engineering, Article

Suggestions

OpenMETU
Core

Interaction of BrPDI, BrGly, and BrAsp with the Rutile TiO2(110) Surface for Photovoltaic and Photocatalytic Applications: A First-Principles Study Cakir, D.; GÜLSEREN, Oğuz; METE, ERSEN; Ellialtıoğlu, Süleyman Şinasi (American Chemical Society (ACS), 2011-05-12) The adsorption of perylenediimide (PDI)-based dye compounds (BrPDI, BrGly, and BrAsp) on the defect-free unreconstructed (UR) rutile TiO2(110) surface has been studied using total energy pseudopotential calculations based on density functional theory. All dye molecules form moderate chemical bonds with the defect-free UR rutile (110) surface in the most stable adsorption configurations. Electronic structure analysis reveals that HOMO and LUMO levels of the adsorbed dye molecules appear within the band gap a...
Electrochemical Behavior of Hydrazine Borane in Methanol Solution Ozhava, Derya; Önal, Ahmet Muhtar; Özkar, Saim (The Electrochemical Society, 2014-01-01) Electrochemical behavior of hydrazine borane (HB) was investigated on gold electrode in 0.5 M LiClO4 solution in methanol using cyclic voltammetry, electrochemical impedance spectroscopy (EIS) and chronoamperometry. Two irreversible peaks at 164 and 530 mV are attributed to direct electro-oxidation of HB on gold electrode in methanol. Both EIS results and CV data at different scan rates indicate a diffusion controlled electron transfer reaction. Furthermore, the Tafel slope (b = 0.191 V) and charge transfer...
Photocatalytic Conversion of Nitric Oxide on Titanium Dioxide: Cryotrapping of Reaction Products for Online Monitoring by Mass Spectrometry Lu, Weigang; Olaitan, Abayomi D.; Brantley, Matthew R.; Zekavat, Behrooz; Altunöz Erdoğan, Deniz; Ozensoy, Emrah; Solouki, Touradj (American Chemical Society (ACS), 2016-04-21) Details of coupling a catalytic reaction chamber to a liquid nitrogen-cooled cryofocuser/triple quadrupole mass spectrometer for online monitoring of nitric oxide (NO) photocatalytic reaction products are presented. Cryogenic trapping of catalytic reaction products, via cryofocusing prior to mass spectrometry analysis, allows unambiguous characterization of nitrous oxide (N2O) and nitrogen oxide species (i.e., NO and nitrogen dioxide (NO2)) at low concentrations. Results are presented, indicating that the m...
NH3 and H2S adsorption on Au3Pt3 cluster studied by a first principles calculation Akturk, Olcay Uzengi; Tomak, Mehmet (Elsevier BV, 2010-07-01) The equilibrium atomic structures of the Au3Pt3 cluster and NH3, H2S molecules are determined by Density Functional Theory calculations. The adsorption of NH3 and H2S molecules on Au3Pt3 cluster is then studied. The energy levels and the corresponding charge densities, adsorption energies, charge transfer and magnetization are calculated for different adsorption sites. We find that the adsorption generally modifies the structure of the Au3Pt3 cluster and the adsorbate. There exists strong interaction betwee...
Improvements in microstructural, mechanical, and biocompatibility properties of nano-sized hydroxyapatites doped with yttrium and fluoride BAŞAR, Burcin; Tezcaner, Ayşen; Keskin, Dilek; Evis, Zafer (Elsevier BV, 2010-07-01) Hydroxyapatite was doped with Y3+ (2.5, 5 and 7.5 mol%) and F (2.5 mol%) ions (2.5YFHA, 5YFHA, 7.5YFHA, respectively) to compare its structural and mechanical properties and cellular response with pure-hydroxyapatite. No second phases were observed by X-ray diffraction spectra of 2.5YFHA. Doped hydroxyapatites had F- bonds in addition to OH- bonds. Hydroxyapatites sintered at 900 and 1100 degrees C were in nano-size. 7.5YFHA sintered at 1300 degrees C had the highest microhardness value. 2.5YFHA sintered at...

Citation Formats

B. İpek Torun, C. M. Brown, and D. Üner, “H-2 Adsorption on Cu(I)-SSZ-13,” JOURNAL OF PHYSICAL CHEMISTRY C, pp. 540–548, 2018, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/39714.