|
Records |
|
Author |
Linssen, T.; Cassiers, K.; Cool, P.; Lebedev, O.; Whittaker, A.; Vansant, E.F. |
|
Title |
Physicochemical and structural characterization of mesoporous aluminosilicates synthesized from leached saponite with additional aluminum incorporation |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
Volume |
15 |
Issue |
25 |
Pages |
4863-4873 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
|
Abstract |
A thorough investigation was performed on the physical (mechanical, thermal, and hydrothermal stability) and chemical (ion exchange capacity and silanol number) characteristics of aluminosilicate FSMs, synthesized via a new successful short-time synthesis route using leached saponite and a low concentration of CTAB. Moreover, the influence of an additional Al incorporation, utilizing different aluminum sources, on the structure of the FSM derived from saponite is studied. A mesoporous aluminosilicate with a low Si/Al ratio of 12.8 is synthesized, and still has a very large surface area of 1130 m(2)/g and pore volume of 0.92 cm(3)/g. The aluminum-containing samples all have a high cation exchange capacity of around 1 mmol/9 while they still have a silanol number of about 0.9 OH/nm(2); both characteristics being interesting for high-yield postsynthesis modification reactions. Finally, a study is performed on the transformation of the aluminosilicates into their Bronsted acid form via the exchange with ammonium ions and a consecutive heat treatment. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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|
Language |
|
Wos |
000187250800026 |
Publication Date |
2003-12-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
9.466 |
Times cited |
11 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 9.466; 2003 IF: 4.374 |
|
Call Number |
UA @ lucian @ c:irua:103265 |
Serial |
2618 |
Permanent link to this record |
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|
|
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Author |
Snoeckx, R.; Aerts, R.; Tu, X.; Bogaerts, A. |
|
Title |
Plasma-based dry reforming : a computational study ranging from the nanoseconds to seconds time scale |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
Volume |
117 |
Issue |
10 |
Pages |
4957-4970 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
We present a computational study for the conversion of CH4 and CO2 into value-added chemicals, i.e., the so-called dry reforming of methane, in a dielectric barrier discharge reactor. A zero-dimensional chemical kinetics model is applied to study the plasma chemistry in a 1:1 CH4/CO2 mixture. The calculations are first performed for one microdischarge pulse and its afterglow, to study in detail the chemical pathways of the conversion. Subsequently, long time-scale simulations are carried out, corresponding to real residence times in the plasma, assuming a large number of consecutive microdischarge pulses, to mimic the conditions of the filamentary discharge regime in a dielectric barrier discharge (DBD) reactor. The conversion of CH4 and CO2 as well as the selectivity of the formed products and the energy cost and energy efficiency of the process are calculated and compared to experiments for a range of different powers and gas flows, and reasonable agreement is reached. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000316308400010 |
Publication Date |
2013-02-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.536 |
Times cited |
118 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
|
Call Number |
UA @ lucian @ c:irua:106516 |
Serial |
2628 |
Permanent link to this record |
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Author |
Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C. |
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Title |
Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
Volume |
117 |
Issue |
11 |
Pages |
5993-5998 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000316773000056 |
Publication Date |
2013-02-23 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.536 |
Times cited |
59 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
|
Call Number |
UA @ lucian @ c:irua:107154 |
Serial |
2636 |
Permanent link to this record |
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Author |
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
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Title |
Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
Volume |
116 |
Issue |
39 |
Pages |
20958-20965 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
The adsorption probability and reaction behavior of CHx plasma species on various nickel catalyst surfaces is investigated by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. Such catalysts are used in the reforming of hydrocarbons and in the growth of carbon nanotubes, and further insight in the underlying mechanisms of these processes is needed to increase their applicability. Single and consecutive impacts of CHx radicals (x={1,2,3}) were performed on four different Ni surfaces, at a temperature of 400 K. The adsorption probability is shown to be related to the number of free electrons, i.e. a higher number leads to more adsorptions, and the steric hindrance caused by the hydrogen atoms bonded to the impacting CHx species. Furthermore, some of the CH bonds break after adsorption, which generally leads to diffusion of the hydrogen atom over the surface. Additionally, these adsorbed H-atoms can be used in reactions to form new molecules, such as CH4 and C2Hx, although this is dependent on the precise morphology of the surface. New molecules are also formed by subtraction of H-atoms from adsorbed radicals, leading to occasional formation of H2 and C2Hx molecules. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000309375700040 |
Publication Date |
2012-09-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.536 |
Times cited |
37 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
|
Call Number |
UA @ lucian @ c:irua:101522 |
Serial |
2640 |
Permanent link to this record |
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Author |
Retuerto, M.; Li, M.R.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Chi, S.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Tran, T.T.; Halasyamani, P.S.; Grams, C.P.; Hemberger, J.; Greenblatt, M.; |
|
Title |
Polar and magnetic layered A-site and rock salt B-site-ordered NaLnFeWO6 (Ln = La, Nd) perovskites |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
Volume |
52 |
Issue |
21 |
Pages |
12482-12491 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
We have expanded the double perovskite family of materials with the unusual combination of layered order in the A sublattice and rock salt order over the B sublattice to compounds NaLaFeWO6 and NaNdFeWO6. The materials have been synthesized and studied by powder X-ray diffraction, neutron diffraction, electron diffraction, magnetic measurements, X-ray absorption spectroscopy, dielectric measurements, and second harmonic generation. At room temperature, the crystal structures of both compounds can be defined in the noncentrosymmetric monoclinic P2(1) space group resulting from the combination of ordering both in the A and B sublattices, the distortion of the cell due to tilting of the octahedra, and the displacement of certain cations. The magnetic studies show that both compounds are ordered antiferromagnetically below T-N approximate to 25 K for NaLaFeWO6 and at similar to 21 K for NaNdFeWO6. The magnetic structure of NaNdFeWO6 has been solved with a propagation vector k = (1/2 0 1/2) as an antiferromagnetic arrangement of Fe and Nd moments. Although the samples are potential multiferroics, the dielectric measurements do not show a ferroelectric response. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
|
Wos |
000326669200035 |
Publication Date |
2013-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.857 |
Times cited |
17 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.857; 2013 IF: 4.794 |
|
Call Number |
UA @ lucian @ c:irua:112714 |
Serial |
2656 |
Permanent link to this record |
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Author |
Li, M.R.; Walker, D.; Retuerto, M.; Sarkar, T.; Hadermann, J.; Stephens, P.W.; Croft, M.; Ignatov, A.; Grams, C.P.; Hemberger, J.; Nowik, I.; Halasyamani, P.S.; Tran, T.T.; Mukherjee, S.; Dasgupta, T.S.; Greenblatt, M.; |
|
Title |
Polar and magnetic Mn2FeMO6 (M=Nb, Ta) with LiNbO3-type structure : high-pressure synthesis |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
|
Volume |
52 |
Issue |
32 |
Pages |
8406-8410 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000322631600044 |
Publication Date |
2013-06-27 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1433-7851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
11.994 |
Times cited |
53 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
|
Call Number |
UA @ lucian @ c:irua:110749 |
Serial |
2657 |
Permanent link to this record |
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|
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Author |
Li, M.R.; Adem, U.; McMitchell, S.R.C.; Xu, Z.; Thomas, C.I.; Warren, J.E.; Giap, D.V.; Niu, H.; Wan, X.; Palgrave, R.G.; Schiffmann, F.; Cora, F.; Slater, B.; Burnett, T.L.; Cain, M.G.; Abakumov, A.M.; Van Tendeloo, G.; Thomas, M.F.; Rosseinsky, M.J.; Claridge, J.B.; |
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Title |
A polar corundum oxide displaying weak ferromagnetism at room temperature |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
Volume |
134 |
Issue |
8 |
Pages |
3737-3747 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Combining long-range magnetic order with polarity in the same structure is a prerequisite for the design of (magnetoelectric) multiferroic materials. There are now several demonstrated strategies to achieve this goal, but retaining magnetic order above room temperature remains a difficult target. Iron oxides in the +3 oxidation state have high magnetic ordering temperatures due to the size of the coupled moments. Here we prepare and characterize ScFeO3 (SFO), which under pressure and in strain-stabilized thin films adopts a polar variant of the corundum structure, one of the archetypal binary oxide structures. Polar corundum ScFeO3 has a weak ferromagnetic ground state below 356 K-this is in contrast to the purely antiferromagnetic ground state adopted by the well-studied ferroelectric BiFeO3. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000301161600027 |
Publication Date |
2012-01-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
13.858 |
Times cited |
48 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 13.858; 2012 IF: 10.677 |
|
Call Number |
UA @ lucian @ c:irua:97200 |
Serial |
2658 |
Permanent link to this record |
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|
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Author |
Bussmann-Holder, A.; Dalal, N.; Michel, K.H. |
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Title |
Polarizability induced cooperative proton ordering, coexistence of order/disorder and displacive dynamics and isotope effects in hydrogen-bonded systems |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
The journal of physics and chemistry of solids
T2 – Williamsburg Workshop on Ferroelectrics 99, JAN 31-FEB 03, 1999, WILLIAMSBURG, VIRGINIA |
Abbreviated Journal |
J Phys Chem Solids |
|
Volume |
61 |
Issue |
2 |
Pages |
271-274 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Despite the general belief that hydrogen-bonded ferro- and antiferroelectrics undergo a pure order/disorder transition at the structural instability, new NMR data and a new theoretical concept yield convincing evidence that a pronounced displacive component is present in these systems, which modifies substantially the temperature dependencies of the tunnel and lattice mode frequencies. The experiments and their interpretation are presented. (C) 1999 Elsevier Science Ltd. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Pergamon-elsevier science ltd |
Place of Publication |
Oxford |
Editor |
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Language |
|
Wos |
000084147000020 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-3697; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.059 |
Times cited |
8 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.059; 2000 IF: 1.003 |
|
Call Number |
UA @ lucian @ c:irua:103469 |
Serial |
2660 |
Permanent link to this record |
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|
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Author |
Belik, A.; Izumi, F.; Ikeda, T.; Morozov, V.A.; Dilanian, R.; Torii, S.; Kopnin, E.; Lebedev, O.I.; Van Tendeloo, G.; Lazoryak, B.I. |
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Title |
Positional and orientational disorder in a solid solution of Sr9-xNi1.5-x(PO4)7 (x=0.3) |
Type |
A1 Journal article |
|
Year |
2002 |
Publication |
Chemistry and materials |
Abbreviated Journal |
Chem Mater |
|
Volume |
14 |
Issue |
|
Pages |
4464-4472 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
|
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
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Wos |
000178782900069 |
Publication Date |
2002-10-21 |
|
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
9.466 |
Times cited |
28 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 9.466; 2002 IF: 3.967 |
|
Call Number |
UA @ lucian @ c:irua:54768 |
Serial |
2676 |
Permanent link to this record |
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Author |
Hadad, C.; Ke, X.; Carraro, M.; Sartorel, A.; Bittencourt, C.; Van Tendeloo, G.; Bonchio, M.; Quintana, M.; Prato, M. |
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Title |
Positive graphene by chemical design : tuning supramolecular strategies for functional surfaces |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
|
Volume |
50 |
Issue |
7 |
Pages |
885-887 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
A diazonium based-arylation reaction was efficiently used for the covalent addition of 4-amino-N,N,N-trimethylbenzene ammonium to stable dispersions of few layer graphene (FLG) yielding an innovative FLG platform with positive charges to immobilize inorganic polyanions. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
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Language |
|
Wos |
000328884500036 |
Publication Date |
2013-11-08 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
6.319 |
Times cited |
19 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 6.319; 2014 IF: 6.834 |
|
Call Number |
UA @ lucian @ c:irua:113733 |
Serial |
2678 |
Permanent link to this record |
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|
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Author |
Meynen, V.; Beyers, E.; Cool, P.; Vansant, E.F.; Mertens, M.; Weyten, H.; Lebedev, O.I.; Van Tendeloo, G. |
|
Title |
Post-synthesis deposition of V-Zeolitic nanoparticles in SBA-15 |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
|
Volume |
|
Issue |
|
Pages |
898-890 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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Abstract |
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Address |
|
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
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Language |
|
Wos |
000221124300084 |
Publication Date |
2004-03-25 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
6.319 |
Times cited |
22 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 6.319; 2004 IF: 3.997 |
|
Call Number |
UA @ lucian @ c:irua:44934 |
Serial |
2684 |
Permanent link to this record |
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|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
Potential energy surface of B4 and the total atomization energies of B2, B3 and B4 |
Type |
A1 Journal article |
|
Year |
1992 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
Volume |
189 |
Issue |
6 |
Pages |
529-536 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
|
|
Address |
|
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1992HF18100008 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0009-2614 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.897 |
Times cited |
50 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:4193 |
Serial |
2685 |
Permanent link to this record |
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|
|
|
Author |
Subban, C.V.; Ati, M.; Rousse, G.; Abakumov, A.M.; Van Tendeloo, G.; Janot, R.; Tarascon, J.-M. |
|
Title |
Preparation, structure, and electrochemistry of layered polyanionic hydroxysulfates : LiMSO4OH (M = Fe, Co, Mn) electrodes for Li-Ion batteries |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
Volume |
135 |
Issue |
9 |
Pages |
3653-3661 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The Li-ion rechargeable battery, due to its high energy density, has driven remarkable advances in portable electronics. Moving toward more sustainable electrodes could make this technology even more attractive to large-volume applications. We present here a new family of 3d-metal hydroxysulfates of general formula LiMSO4OH (M = Fe, Co, and Mn) among which (i) LiFeSO4OH reversibly releases 0.7 Li+ at an average potential of 3.6 V vs Li+/Li-0, slightly higher than the potential of currently lauded LiFePO4 (3.45 V) electrode material, and (ii) LiCoSO4OH shows a redox activity at 4.7 V vs Li+/Li-0. Besides, these compounds can be easily made at temperatures near 200 degrees C via a synthesis process that enlists a new intermediate phase of composition M-3(SO4)(2)(OH)(2) (M = Fe, Co, Mn, and Ni), related to the mineral caminite. Structurally, we found that LiFeSO4OH is a layered phase unlike the previously reported 3.2 V tavorite LiFeSO4OH. This work should provide an impetus to experimentalists for designing better electrolytes to fully tap the capacity of high-voltage Co-based hydroxysulfates, and to theorists for providing a means to predict the electrochemical redox activity of two polymorphs. |
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Address |
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Corporate Author |
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Thesis |
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
Language |
|
Wos |
000315936700056 |
Publication Date |
2013-02-01 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
13.858 |
Times cited |
53 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 13.858; 2013 IF: 11.444 |
|
Call Number |
UA @ lucian @ c:irua:108283 |
Serial |
2708 |
Permanent link to this record |
|
|
|
|
Author |
Ban, V.; Soloninin, A.V.; Skripov, A.V.; Hadermann, J.; Abakumov, A.; Filinchuk, Y. |
|
Title |
Pressure-Collapsed Amorphous Mg(BH4)(2): An Ultradense Complex Hydride Showing a Reversible Transition to the Porous Framework |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
Volume |
118 |
Issue |
40 |
Pages |
23402-23408 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
Abstract |
Hydrogen-storage properties of complex hydrides depend of their form, such as a polymorphic form or an eutectic mixture. This Paper reports on an easy and reproducible way to synthesize a new stable form of magnesium borohydride by pressure-induced collapse of the porous gamma-Mg(BH4)(2). This amorphous complex hydride was investigated by temperature-programmed synchrotron X-ray diffraction (SXRD), transmission electron microscopy (TEM), thermogravimetric analysis, differential scanning calorimetry analysis, and Raman spectroscopy, and the dynamics of the BH4 reorientation was studied by spinlattice relaxation NMR spectroscopy. No long-range order is observed in the lattice region by Raman spectroscopy, while the internal vibration modes of the BH4 groups are the same as in the crystalline state. A hump at 4.9 angstrom in the SXRD pattern suggests the presence of nearly linear MgBH4 Mg fragments constituting all the known crystalline polymorphs of Mg(BH4)(2), which are essentially frameworks built of tetrahedral Mg nodes and linear BH4 linkers. TEM shows that the pressure-collapsed phase is amorphous down to the nanoscale, but surprisingly, SXRD reveals a transition at similar to 90 degrees C from the dense amorphous state (density of 0.98 g/cm(3)) back to the porous ? phase having only 0.55 g/cm(3) crystal density. The crystallization is slightly exothermic, with the enthalpy of -4.3 kJ/mol. The volumetric hydrogen density of the amorphous form is 145 g/L, one of the highest among hydrides. Remarkably, this form of Mg(BH4)2 has different reactivity compared to the crystalline forms. The parameters of the reorientational motion of BH4 groups in the amorphous Mg(BH4)(2) found from NMR measurements differ significantly from those in the known crystalline forms. The behavior of the nuclear spinlattice relaxation rates can be described in terms of a Gaussian distribution of the activation energies centered on 234 +/- 9 meV with the dispersion of 100 +/- 10 meV. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
Language |
|
Wos |
000343016800067 |
Publication Date |
2014-09-26 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.536 |
Times cited |
23 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
|
Call Number |
UA @ lucian @ c:irua:121113 |
Serial |
2711 |
Permanent link to this record |
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|
|
|
Author |
Piedigrosso, P.; Konya, Z.; Colomer, J.-F.; Fonseca, A.; Van Tendeloo, G.; Nagy, J.B. |
|
Title |
Production of differently shaped multi-wall carbon nanotubes using various cobalt supported catalysts |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
Volume |
2 |
Issue |
1 |
Pages |
163-170 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Catalytic synthesis and transmission electron microscopy (TEM) of multi-wall carbon nanotubes are presented. Silica, zeolite and alumina supported cobalt catalysts were prepared by different methods (impregnation and ion-adsorption precipitation) and were used to produce nanotubes. The synthesis was carried out in a fixed bed flow reactor and the process was optimized in order to produce carbon nanotubes on a gram scale. The influence of various parameters such as the method of catalyst preparation, the nature of the support, cobalt concentration and reaction conditions on the formation of nanotubes was investigated. The carbon deposits were measured and the quality of nanotubes was determined by low and high resolution TEM. Multi-wall straight and coiled nanotubes were found to be fairly regular with an average inner (outer) diameter of 4-7 nm (8-23 nm) and with lengths up to 0.1 mm. |
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Address |
|
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Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
Language |
|
Wos |
000084333800025 |
Publication Date |
2002-07-26 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.123 |
Times cited |
53 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.123; 2000 IF: 1.653 |
|
Call Number |
UA @ lucian @ c:irua:102889 |
Serial |
2723 |
Permanent link to this record |
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|
|
|
Author |
Pierard, N.; Fonseca, A.; Konya, Z.; Willems, I.; Van Tendeloo, G.; Nagy, J.B. |
|
Title |
Production of short carbon nanotubes with open tips by ball milling |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
Volume |
335 |
Issue |
|
Pages |
1-8 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000167018700001 |
Publication Date |
2002-10-31 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.815 |
Times cited |
203 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.815; 2001 IF: 2.364 |
|
Call Number |
UA @ lucian @ c:irua:54774 |
Serial |
2725 |
Permanent link to this record |
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Author |
Colomer, J.-F.; Piedigrosso, P.; Willems, I.; Journet, C.; Bernier, P.; Van Tendeloo, G.; Fonseca, A.; Nagy, J.B. |
|
Title |
Purification of catalytically produced multi-wall nanotubes |
Type |
A1 Journal article |
|
Year |
1998 |
Publication |
Journal of the Chemical Society : Faraday transactions: physical chemistry and chemical physics |
Abbreviated Journal |
J Chem Soc Faraday T |
|
Volume |
94 |
Issue |
|
Pages |
3753-3758 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
|
|
Address |
|
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Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
Language |
|
Wos |
000077634100034 |
Publication Date |
2002-07-26 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0956-5000;1364-5455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
92 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
Call Number |
UA @ lucian @ c:irua:25685 |
Serial |
2740 |
Permanent link to this record |
|
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|
|
Author |
Norén, L.; Van Tendeloo, G.; Withers, R.L. |
|
Title |
The real (incommensurate interface modulated) structure of Ni6\pm xSe5 |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
Volume |
162 |
Issue |
1 |
Pages |
122-127 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
Language |
|
Wos |
000172586400016 |
Publication Date |
2002-09-18 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.299 |
Times cited |
4 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 2001 IF: 1.614 |
|
Call Number |
UA @ lucian @ c:irua:54709 |
Serial |
2826 |
Permanent link to this record |
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|
|
|
Author |
Gijbels, R.; Bogaerts, A. |
|
Title |
Recent trends in solids mass spectrometry: GDMS and other methods |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Fresenius' journal of analytical chemistry |
Abbreviated Journal |
Fresen J Anal Chem |
|
Volume |
359 |
Issue |
|
Pages |
326-330 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Berlin |
Editor |
|
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Language |
|
Wos |
A1997YC02800004 |
Publication Date |
2002-08-25 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0937-0633;1432-1130; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
5 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
Call Number |
UA @ lucian @ c:irua:19607 |
Serial |
2841 |
Permanent link to this record |
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|
|
Author |
Blommaert, W.; Vandelannoote, R.; Van 't dack, L.; Gijbels, R.; van Grieken, R. |
|
Title |
Relative evaluation of neutron activation, X-ray fluorescence and spark source mass spectrometry for multi-element analysis of geothermal waters |
Type |
A3 Journal article |
|
Year |
1980 |
Publication |
Journal of radioanalytical chemistry |
Abbreviated Journal |
|
|
Volume |
57 |
Issue |
|
Pages |
382-400 |
|
Keywords |
A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0134-0719 |
ISBN |
|
Additional Links |
UA library record |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
|
|
Call Number |
UA @ lucian @ c:irua:111432 |
Serial |
2859 |
Permanent link to this record |
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|
|
|
Author |
Leys, F.E.; March, N.H.; Lamoen, D. |
|
Title |
Relativistic virial relations for both homogeneous and spatially varying electron liquids |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Physics And Chemistry Of Liquids |
Abbreviated Journal |
Phys Chem Liq |
|
Volume |
42 |
Issue |
|
Pages |
423-431 |
|
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
Language |
|
Wos |
000222750800010 |
Publication Date |
2004-07-16 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0031-9104;1029-0451; |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
|
Impact Factor |
1.145 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.145; 2004 IF: 0.478 |
|
Call Number |
UA @ lucian @ c:irua:47379 |
Serial |
2862 |
Permanent link to this record |
|
|
|
|
Author |
Abakumov, A.M.; Erni, R.; Tsirlin, A.A. |
|
Title |
Reply to Comment on “Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites” |
Type |
Editorial |
|
Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
Volume |
26 |
Issue |
2 |
Pages |
1288 |
|
Keywords |
Editorial; Electron microscopy for materials research (EMAT) |
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Abstract |
|
|
Address |
|
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Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
Language |
|
Wos |
000330543600051 |
Publication Date |
2014-01-03 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
9.466 |
Times cited |
1 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
|
Call Number |
UA @ lucian @ c:irua:115730 |
Serial |
2874 |
Permanent link to this record |
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|
|
|
Author |
Shi, J.M.; Peeters, F.M.; Devreese, J.T. |
|
Title |
Resonant bound bipolarons in a superlattice in a high magnetic field |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
|
Volume |
361/362 |
Issue |
|
Pages |
397-400 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
|
Abstract |
|
|
Address |
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Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1996UZ03300096 |
Publication Date |
2002-07-25 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0039-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
Impact Factor |
1.925 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
|
|
Call Number |
UA @ lucian @ c:irua:15816 |
Serial |
2884 |
Permanent link to this record |
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Author |
Lok, J.G.S.; Geim, A.K.; Maan, J.C.; Marmorkos, I.; Peeters, F.M.; Mori, N.; Eaves, L.; McDonnell, P.; Henini, M.; Sakai, J.W.; Main, P.C. |
|
Title |
Resonant tunneling through D- states |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
|
Volume |
361/362 |
Issue |
|
Pages |
247-250 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
|
|
Address |
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Corporate Author |
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Thesis |
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|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1996UZ03300061 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0039-6028 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
|
Impact Factor |
1.925 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 # |
|
Call Number |
UA @ lucian @ c:irua:15813 |
Serial |
2894 |
Permanent link to this record |
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|
|
|
Author |
Lok, J.G.S.; Geim, A.K.; Maan, J.C.; Marmorkos, I.; Peeters, F.M.; Mori, N.; Eaves, L.; McDonnell, P.; Henini, M.; Sakai, J.W.; Main, P.C.; |
|
Title |
Resonant tunnelling through D- states |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces
T2 – 11th International Conference on the Electronic Properties of 2-Dimensional Systems (EP2DS XI), August 07-11, 1995, Univ. Nottingham, Nottingham, England |
Abbreviated Journal |
Surf Sci |
|
Volume |
362 |
Issue |
1-3 |
Pages |
247-250 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
We have studied tunnelling through Si donors incorporated in the quantum well of double barrier resonant tunnelling devices. In addition to a resonance associated with the ground state of a single donor (1s level), a novel donor-related resonance at a smaller binding energy is observed in high magnetic fields where it becomes dominant over the Is resonance. We attribute this novel feature to a D-minus state of a shallow donor. |
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Address |
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Corporate Author |
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Thesis |
|
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Publisher |
Elsevier |
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1996UZ03300061 |
Publication Date |
2002-07-26 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0039-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
Impact Factor |
1.925 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 # |
|
Call Number |
UA @ lucian @ c:irua:95892 |
Serial |
2895 |
Permanent link to this record |
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|
|
|
Author |
McCalla, E.; Prakash, A.S.; Berg, E.; Saubanere, M.; Abakumov, A.M.; Foix, D.; Klobes, B.; Sougrati, M.T.; Rousse, G.; Lepoivre, F.; Mariyappan, S.; Doublet, M.L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.; |
|
Title |
Reversible Li-intercalation through oxygen reactivity in Li-rich Li-Fe-Te oxide materials |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Journal of the electrochemical society |
Abbreviated Journal |
J Electrochem Soc |
|
Volume |
162 |
Issue |
162 |
Pages |
A1341-A1351 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Lithium-rich oxides are a promising class of positive electrode materials for next generation lithium-ion batteries, and oxygen plays a prominent role during electrochemical cycling either by forming peroxo-like species and/or by irreversibly forming oxygen gas during first charge. Here, we present Li-Fe-Te-O materials which show a tremendous amount of oxygen gas release. This oxygen release accounts for nearly all the capacity during the first charge and results in vacancies as seen by transmission electron microscopy. There is no oxidation of either metal during charge but significant changes in their environments. These changes are particularly extreme for tellurium. XRD and neutron powder diffraction both show limited Changes during cycling and no appreciable change in lattice parameters. A density functional theory study of this material is performed and demonstrates that the holes created on some of the oxygen atoms upon oxidation are partially stabilized through the formation of shorter O-O bonds, i.e. (O-2)(n-) species which on further delithiation show a spontaneous O-2 de-coordination from the cationic network and migration to the now empty lithium layer. The rate limiting step during charge is undoubtedly the diffusion of oxygen either out along the lithium layer or via columns of oxygen atoms. (C) 2015 The Electrochemical Society. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
Language |
|
Wos |
000355643700030 |
Publication Date |
2015-04-29 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
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ISSN |
0013-4651;1945-7111; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.259 |
Times cited |
23 |
Open Access |
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|
Notes |
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Approved |
Most recent IF: 3.259; 2015 IF: 3.266 |
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Call Number |
c:irua:126445 |
Serial |
2903 |
Permanent link to this record |
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Author |
Marikutsa, A.V.; Rumyantseva, M.N.; Frolov, D.D.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Petukhov, I.A.; Yashina, L.V.; Konstantinova, E.A.; Sadovskaya, E.M.; Abakumov, A.M.; Zubavichus, Y.V.; Gaskov, A.M.; |
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Title |
Role of PdOx and RuOy clusters in oxygen exchange between nanocrystalline tin dioxide and the gas phase |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
117 |
Issue |
45 |
Pages |
23858-23867 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of palladium- and ruthenium-based clusters on nanocrystalline tin dioxide interaction with oxygen was studied by temperature-programmed oxygen isotopic exchange with mass-spectrometry detection. The modification of aqueous sol-gel prepared SnO2 by palladium and, to a larger extent, by ruthenium, increases surface oxygen concentration on the materials. The revealed effects on oxygen exchange-lowering the threshold temperature, separation of surface oxygen contribution to the process, increase of heteroexchange rate and oxygen diffusion coefficient, decrease of activation energies of exchange and diffusion-were more intensive for Ru-modified SnO2 than in the case of SnO2/Pd. The superior promoting activity of ruthenium on tin dioxide interaction with oxygen was interpreted by favoring the dissociative O-2 adsorption and increasing the oxygen mobility, taking into account the structure and chemical composition of the modifier clusters. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000327110500046 |
Publication Date |
2013-10-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.536 |
Times cited |
20 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
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Call Number |
UA @ lucian @ c:irua:112706 |
Serial |
2924 |
Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
The rotational partition function of the symmetric top and the effect of K doubling thereon |
Type |
A1 Journal article |
|
Year |
1991 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
187 |
Issue |
|
Pages |
375-386 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1991GX46000006 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0009-2614 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.897 |
Times cited |
6 |
Open Access |
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|
Notes |
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Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 38/271 Q1 # METALLURGY & METALLURGICAL ENGINEERING 2/73 Q1 # |
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Call Number |
UA @ lucian @ c:irua:713 |
Serial |
2931 |
Permanent link to this record |
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Author |
Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K. |
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Title |
Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
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Volume |
131 |
Issue |
7 |
Pages |
1238 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000307274300003 |
Publication Date |
2012-07-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1432-881X;1432-2234; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.89 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.89; 2012 IF: 2.233 |
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Call Number |
UA @ lucian @ c:irua:101139 |
Serial |
2935 |
Permanent link to this record |
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Author |
Van de Vyver, S.; Geboers, J.; Dusselier, M.; Schepers, H.; Vosch, T.; Zhang, L.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
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Title |
Selective bifunctional catalytic conversion of cellulose over reshaped ni particles at the tip of carbon nanofibers |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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Volume |
3 |
Issue |
6 |
Pages |
698-701 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000279753300011 |
Publication Date |
2010-05-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1864-5631;1864-564X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
136 |
Open Access |
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Notes |
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Approved |
Most recent IF: 7.226; 2010 IF: 6.325 |
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Call Number |
UA @ lucian @ c:irua:95657 |
Serial |
2962 |
Permanent link to this record |