Records |
Author |
Mahadi, A.H.; Ye, L.; Fairclough, S.M.; Qu, J.; Wu, S.; Chen, W.; Papaioannou, E.; Ray, B.; Pennycook, T.J.; Haigh, S.J.; Young, N.P.; Tedsree, K.; Metcalfe, I.S.; Tsang, S.C.E. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Beyond surface redox and oxygen mobility at pd-polar ceria (100) interface : underlying principle for strong metal-support interactions in green catalysis |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Applied Catalysis B-Environmental |
Abbreviated Journal |
Appl Catal B-Environ |
Volume |
270 |
Issue |
|
Pages |
118843 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
When ceria is used as a support for many redox catalysis involved in green catalysis, it is well-known that the overlying noble metal can gain access to a significant quantity of oxygen atoms with high mobility and fast reduction and oxidation properties under mild conditions. However, it is as yet unclear what the underlying principle and the nature of the ceria surface involved are. By using two tailored morphologies of ceria nanocrystals, namely cubes and rods, it is demonstrated from Scanning Transmission Electron Microscopy with Electron Energy Loss Spectroscopy (STEM-EELS) mapping and Pulse Isotopic Exchange (PIE) that ceria nano-cubes terminated with a polar surface (100) can give access to more than the top most layer of surface oxygen atoms. Also, they give higher oxygen mobility than ceria nanorods with a non-polar facet of (110). A new insight for the possible additional role of polar ceria surface plays in the oxygen mobility is obtained from Density Functional Theory (DFT) calculations which suggest that the (100) surface sites that has more than half-filled O on same plane can drive oxygen atoms to oxidise adsorbate(s) on Pd due to the strong electrostatic repulsion. |
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 |
000526110500007 |
Publication Date |
2020-03-04 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0926-3373 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
22.1 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 22.1; 2020 IF: 9.446 |
Call Number |
UA @ admin @ c:irua:183959 |
Serial |
6856 |
Permanent link to this record |
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Author |
Stroobants, N.; Dehairs, F.; Goeyens, L.; Vanderheijden, N.; Van Grieken, R. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Barite formation in the Southern Ocean water column |
Type |
A1 Journal article |
Year |
1991 |
Publication |
Marine chemistry |
Abbreviated Journal |
|
Volume |
35 |
Issue |
|
Pages |
411-421 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
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 |
A1991GZ58500031 |
Publication Date |
2009-09-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-4203; 1872-7581 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:664 |
Serial |
7550 |
Permanent link to this record |
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Author |
Mogg, L.; Hao, G.-P.; Zhang, S.; Bacaksiz, C.; Zou, Y.; Haigh, S.J.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Atomically thin micas as proton-conducting membranes |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Nature nanotechnology |
Abbreviated Journal |
Nat Nanotechnol |
Volume |
14 |
Issue |
10 |
Pages |
962-+ |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Monolayers of graphene and hexagonal boron nitride (hBN) are highly permeable to thermal protons1,2. For thicker two-dimensional (2D) materials, proton conductivity diminishes exponentially, so that, for example, monolayer MoS2 that is just three atoms thick is completely impermeable to protons1. This seemed to suggest that only one-atom-thick crystals could be used as proton-conducting membranes. Here, we show that few-layer micas that are rather thick on the atomic scale become excellent proton conductors if native cations are ion-exchanged for protons. Their areal conductivity exceeds that of graphene and hBN by one to two orders of magnitude. Importantly, ion-exchanged 2D micas exhibit this high conductivity inside the infamous gap for proton-conducting materials3, which extends from ∼100 °C to 500 °C. Areal conductivity of proton-exchanged monolayer micas can reach above 100 S cm−2 at 500 °C, well above the current requirements for the industry roadmap4. We attribute the fast proton permeation to ~5-Å-wide tubular channels that perforate micas’ crystal structure, which, after ion exchange, contain only hydroxyl groups inside. Our work indicates that there could be other 2D crystals5 with similar nanometre-scale channels, which could help close the materials gap in proton-conducting applications. |
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 |
000488977100016 |
Publication Date |
2019-09-02 |
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 |
1748-3387; 1748-3395 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
38.986 |
Times cited |
44 |
Open Access |
|
Notes |
; The work was supported by the Lloyd's Register Foundation, the Engineering and Physical Sciences Research Council (EPSRC)-EP/N010345/1, EP/M010619/1 and EP/ P009050/1, the European Research Council, the Graphene Flagship and the Royal Society. M.L.-H. acknowledges a Leverhulme Early Career Fellowship, G.-P.H. acknowledges a Marie Curie International Incoming Fellowship, and L.M. acknowledges the EPSRC NOWNano programme for funding. Y.Z. acknowledges the assistance of Eric Prestat in TEM specimen preparation. Computational resources were provided by the TUBITAK ULAKBIM High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; |
Approved |
Most recent IF: 38.986 |
Call Number |
UA @ admin @ c:irua:163589 |
Serial |
5407 |
Permanent link to this record |
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|
|
Author |
Van Tendeloo, G.; Chaillout, C.; Capponi, J.J.; Marezio, M.; Antipov, E.V. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Atomic structure and defect structure of the superconducting HgBa2Can-1CunO2n+2+\delta homologous series |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
223 |
Issue |
3/4 |
Pages |
219-226 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The perfect as well as the defect structure of several members of the superconducting family HgBa2Can-1CunO2n+2+delta have been studied in detail by electron diffraction and high-resolution electron microscopy Identification of the cation configuration is possible, even in the defect regions, with the help of computer simulations. The fine structure of several defects is analyzed in detail, the most common defect being the intergrowth of slabs corresponding to different n values in the title formula. In general, however, the crystals are of a high perfection, particularly for the lower n members. The occurrence of double (HgO)delta layers is seen occasionally, indicating the possible existence of a material with a double mercury layer. Some of these defects are possibly related to recently discovered anomalies at 250 K in these compounds. |
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 |
|
Language |
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Wos |
A1994NG47600003 |
Publication Date |
2002-10-17 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.942 |
Times cited |
30 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:10028 |
Serial |
196 |
Permanent link to this record |
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|
|
Author |
Frolov, A.S.; Sanchez-Barriga, J.; Callaert, C.; Hadermann, J.; Fedorov, A., V; Usachov, D.Y.; Chaika, A.N.; Walls, B.C.; Zhussupbekov, K.; Shvets, I., V.; Muntwiler, M.; Amati, M.; Gregoratti, L.; Varykhalov, A.Y.; Rader, O.; Yashina, L., V. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Atomic and electronic structure of a multidomain GeTe crystal |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Acs Nano |
Abbreviated Journal |
Acs Nano |
Volume |
14 |
Issue |
12 |
Pages |
16576-16589 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Renewed interest in the ferroelectric semi-conductor germanium telluride was recently triggered by the direct observation of a giant Rashba effect and a 30-year-old dream about a functional spin field-effect transistor. In this respect, all-electrical control of the spin texture in this material in combination with ferroelectric properties at the nanoscale would create advanced functionalities in spintronics and data information processing. Here, we investigate the atomic and electronic properties of GeTe bulk single crystals and their (111) surfaces. We succeeded in growing crystals possessing solely inversion domains of similar to 10 nm thickness parallel to each other. Using HAADF-TEM we observe two types of domain boundaries, one of them being similar in structure to the van der Waals gap in layered materials. This structure is responsible for the formation of surface domains with preferential Te-termination (similar to 68%) as we determined using photoelectron diffraction and XPS. The lateral dimensions of the surface domains are in the range of similar to 10-100 nm, and both Ge- and Te-terminations reveal no reconstruction. Using spin-ARPES we establish an intrinsic quantitative relationship between the spin polarization of pure bulk states and the relative contribution of different terminations, a result that is consistent with a reversal of the spin texture of the bulk Rashba bands for opposite configurations of the ferroelectric polarization within individual nanodomains. Our findings are important for potential applications of ferroelectric Rashba semiconductors in nonvolatile spintronic devices with advanced memory and computing capabilities at the nanoscale. |
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 |
000603308800022 |
Publication Date |
2020-11-02 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
17.1 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 17.1; 2020 IF: 13.942 |
Call Number |
UA @ admin @ c:irua:175027 |
Serial |
6716 |
Permanent link to this record |
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|
|
Author |
Castelano, L.K.; Hai, G.-Q.; Partoens, B.; Peeters, F.M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Artificial molecular quantum rings: spin density functional theory calculations |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
74 |
Issue |
4 |
Pages |
045313,1-5 |
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 |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000239426800075 |
Publication Date |
2006-07-18 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
Call Number |
UA @ lucian @ c:irua:60089 |
Serial |
154 |
Permanent link to this record |
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|
|
Author |
Castelano, L.K.; Hai, G.Q.; Partoens, B.; Peeters, F.M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Artificial molecular quantum rings under magnetic field influence |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
106 |
Issue |
7 |
Pages |
073702,1-073702,8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The ground states of a few electrons confined in two vertically coupled quantum rings in the presence of an external magnetic field are studied systematically within the current spin-density functional theory. Electron-electron interactions combined with inter-ring tunneling affect the electronic structure and the persistent current. For small values of the external magnetic field, we recover the zero magnetic field molecular quantum ring ground state configurations. Increasing the magnetic field many angular momentum, spin, and isospin transitions are predicted to occur in the ground state. We show that these transitions follow certain rules, which are governed by the parity of the number of electrons, the single-particle picture, Hunds rules, and many-body effects. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000270915600047 |
Publication Date |
2009-10-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2009 IF: 2.072 |
Call Number |
UA @ lucian @ c:irua:86926 |
Serial |
155 |
Permanent link to this record |
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|
|
Author |
Sanchez-Barriga, J.; Aguilera, I.; Yashina, L., V; Tsukanova, D.Y.; Freyse, F.; Chaika, A.N.; Callaert, C.; Abakumov, A.M.; Hadermann, J.; Varykhalov, A.; Rienks, E.D.L.; Bihlmayer, G.; Blugel, S.; Rader, O. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
|
Volume |
98 |
Issue |
23 |
Pages |
235110 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Using spin- and angle-resolved photoemission spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi1-xInx)(2)Se-3)(2)Se-3 bulk single crystals around the critical point of the trivial to topological insulator quantum-phase transition. By increasing x, we observe how a surface gap opens at the Dirac point of the initially gapless topological surface state of Bi2Se3, leading to the existence of massive fermions. The surface gap monotonically increases for a wide range of x values across the topological and trivial sides of the quantum-phase transition. By means of photon-energy-dependent measurements, we demonstrate that the gapped surface state survives the inversion of the bulk bands which occurs at a critical point near x = 0.055. The surface state exhibits a nonzero in-plane spin polarization which decays exponentially with increasing x, and which persists in both the topological and trivial insulator phases. Our calculations reveal qualitative agreement with the experimental results all across the quantum-phase transition upon the systematic variation of the spin-orbit coupling strength. A non-time-reversal symmetry-breaking mechanism of bulk-mediated scattering processes that increase with decreasing spin-orbit coupling strength is proposed as explanation. |
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 |
000452322800003 |
Publication Date |
2018-12-05 |
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 |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:156240 |
Serial |
7462 |
Permanent link to this record |
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|
|
Author |
Bals, S.; Kabius, B.; Haider, M.; Radmilovic, V.; Kisielowski, C. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Annular dark field imaging in a TEM |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
130 |
Issue |
10 |
Pages |
675-680 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Annular objective apertures are fabricated for a CM300 transmission electron microscope using a focused ion beam system. A central beam stop in the back focal plane of the objective lens of the microscope blocks all electrons scattered up to a semi-angle of approximately 20 mrad. In this manner, contributions to the image from Bragg scattering are largely reduced and the image contrast is sensitive to the atomic number Z. Experimentally, we find that single atom scattering cross sections measured with this technique are close to Rutherford scattering values. A comparison between this new method and STEM-HAADF shows that both techniques result in qualitatively similar images although the resolution of ADF-TEM is limited by contrast delocalization caused by the spherical aberration of the objective lens. This problem can be overcome by using an aberration corrected microscope. |
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 |
000221489300007 |
Publication Date |
2004-04-10 |
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 |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.554 |
Times cited |
43 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.554; 2004 IF: 1.523 |
Call Number |
UA @ lucian @ c:irua:87584 |
Serial |
132 |
Permanent link to this record |
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|
|
Author |
da Silva, A.L.C.; Candido, L.; Teixeira Rabelo, J.N.; Hai, G.-Q.; Peeters, F.M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Anharmonic effects on thermodynamic properties of a graphene monolayer |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
Volume |
107 |
Issue |
5 |
Pages |
56004 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014 |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000341559900020 |
Publication Date |
2014-09-05 |
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 |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.957 |
Times cited |
23 |
Open Access |
|
Notes |
; This research was supported by the Brazilian agencies CNPq, FAPEG and FAPESP, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 1.957; 2014 IF: 2.095 |
Call Number |
UA @ lucian @ c:irua:119289 |
Serial |
118 |
Permanent link to this record |
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Author |
Morozov, V.A.; Mironov, A.V.; Lazoryak, B.I.; Khaikina, E.G.; Basovich, O.M.; Rossell, M.D.; Van Tendeloo, G. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Ag1/8Pr5/8MoO4: an incommensurately modulated scheelite-type structure |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
179 |
Issue |
4 |
Pages |
1183-1191 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000236501300029 |
Publication Date |
2006-02-08 |
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 |
35 |
Open Access |
|
Notes |
Iap V-1 |
Approved |
Most recent IF: 2.299; 2006 IF: 2.107 |
Call Number |
UA @ lucian @ c:irua:57766 |
Serial |
3513 |
Permanent link to this record |
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|
|
Author |
Surmenev, R.A.; Grubova, I.Y.; Neyts, E.; Teresov, A.D.; Koval, N.N.; Epple, M.; Tyurin, A.I.; Pichugin, V.F.; Chaikina, M.V.; Surmeneva, M.A. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
Ab initio calculations and a scratch test study of RF-magnetron sputter deposited hydroxyapatite and silicon-containing hydroxyapatite coatings |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Surfaces and interfaces |
Abbreviated Journal |
|
Volume |
21 |
Issue |
|
Pages |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A crucial property for implants is their biocompatibility. To ensure biocompatibility, thin coatings of hydroxyapatite (HA) are deposited on the actual implant. In this study, we investigate the effects of the addition of silicate anions to the structure of hydroxyapatite coatings on their adhesion strength via a scratch test and ab initio calculations. We find that both the grain size and adhesion strength decrease with the increase in the silicon content in the HA coating (SiHA). The increase in the silicon content to 1.2 % in the HA coating leads to a decrease in the average crystallite size from 28 to 21 nm, and in the case of 4.6 %, it leads to the formation of an amorphous or nanocrystalline film. The decreases in the grain and crystallite sizes lead to peeling and destruction of the coating from the titanium substrate at lower loads. Further, our ab initio simulations demonstrate an increased number of molecular bonds at the amorphous SiHA-TiO2 interface. However, the experimental results revealed that the structure and grain size have more pronounced effects on the adhesion strength of the coatings. In conclusion, based on the results of the ab initio simulations and the experimental results, we suggest that the presence of Si in the form of silicate ions in the HA coating has a significant impact on the structure, grain size, and number of molecular bonds at the interface and on the adhesion strength of the SiHA coating to the titanium substrate. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000697616300009 |
Publication Date |
2020-10-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2468-0230 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.2 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 6.2; 2020 IF: NA |
Call Number |
UA @ admin @ c:irua:181685 |
Serial |
7400 |
Permanent link to this record |
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Author |
Muys, M.; Phukan, R.; Brader, G.; Samad, A.; Moretti, M.; Haiden, B.; Pluchon, S.; Roest, K.; Vlaeminck, S.E.; Spiller, M. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
A systematic comparison of commercially produced struvite : quantities, qualities and soil-maize phosphorus availability |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Science Of The Total Environment |
Abbreviated Journal |
Sci Total Environ |
Volume |
756 |
Issue |
|
Pages |
143726-12 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Engineering Management (ENM) |
Abstract |
Production of struvite (MgNH4PO4·6H2O) from waste streams is increasingly implemented to recover phosphorus (P), which is listed as a critical raw material in the European Union (EU). To facilitate EU-wide trade of P-containing secondary raw materials such as struvite, the EU issued a revised fertilizer regulation in 2019. A comprehensive overview of the supply of struvite and its quality is presently missing. This study aimed: i) to determine the current EU struvite production volumes, ii) to evaluate all legislated physicochemical characteristics and pathogen content of European struvite against newly set regulatory limits, and iii) to compare not-regulated struvite characteristics. It is estimated that in 2020, between 990 and 1250 ton P are recovered as struvite in the EU. Struvite from 24 European production plants, accounting for 30% of the 80 struvite installations worldwide was sampled. Three samples failed the physicochemical legal limits; one had a P content of <7% and three exceeded the organic carbon content of 3% dry weight (DW). Mineralogical analysis revealed that six samples had a struvite content of 80–90% DW, and 13 samples a content of >90% DW. All samples showed a heavy metal content below the legal limits. Microbiological analyses indicated that struvite may exceed certain legal limits. Differences in morphology and particle size distribution were observed for struvite sourced from digestate (rod shaped; transparent; 82 mass% < 1 mm), dewatering liquor (spherical; opaque; 65 mass% 1–2 mm) and effluent from upflow anaerobic sludge blanket reactor processing potato wastewater (spherical; opaque; 51 mass% < 1 mm and 34 mass% > 2 mm). A uniform soil-plant P-availability pattern of 3.5–6.5 mg P/L soil/d over a 28 days sampling period was observed. No differences for plant biomass yield were observed. In conclusion, the results highlight the suitability of most struvite to enter the EU fertilizer market. |
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 |
000603487500029 |
Publication Date |
2020-11-24 |
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 |
0048-9697; 1879-1026 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.9 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 4.9 |
Call Number |
UA @ admin @ c:irua:173944 |
Serial |
8638 |
Permanent link to this record |
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Author |
Brito, B.G.A.; Hai, G.-Q.; Teixeira Rabelo, J.N.; Cândido, L. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 – (M = Li, Na, K, Rb, Cu, Ag and Au) |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
16 |
Issue |
18 |
Pages |
8639-8645 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using fixed-node diffusion quantum Monte Carlo (FN-DMC) simulation we investigate the electron correlation in all-metal aromatic clusters MAl4- (with M = Li, Na, K, Rb, Cu, Ag and Au). The electron detachment energies and electron affinities of the clusters are obtained. The vertical electron detachment energies obtained from the FN-DMC calculations are in very good agreement with the available experimental results. Calculations are also performed within the Hartree-Fock approximation, density-functional theory (DFT), and the couple-cluster (CCSD(T)) method. From the obtained results, we analyse the impact of the electron correlation effects in these bimetallic clusters and find that the correlation of the valence electrons contributes significantly to the detachment energies and electron affinities, varying between 20% and 50% of their total values. Furthermore, we discuss the electron correlation effects on the stability of the clusters as well as the accuracy of the DFT and CCSD(T) calculations in the present systems. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000334602900052 |
Publication Date |
2014-03-21 |
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 |
|
ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
10 |
Open Access |
|
Notes |
; This research was supported by CNPq, FAPESP and FAPEG (Brazil). ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
Call Number |
UA @ lucian @ c:irua:117247 |
Serial |
2781 |
Permanent link to this record |
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Author |
Paria Sena, R.; Babaryk, A.A.; Khainakov, S.; Garcia-Granda, S.; Slobodyanik, N.S.; Van Tendeloo, G.; Abakumov, A.M.; Hadermann, J. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
A pseudo-tetragonal tungsten bronze superstructure: a combined solution of the crystal structure of K6.4(Nb,Ta)36.3O94 with advanced transmission electron microscopy and neutron diffraction |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
Volume |
45 |
Issue |
45 |
Pages |
973-979 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structure of the K6.4Nb28.2Ta8.1O94 pseudo-tetragonal tungsten bronze-type oxide was determined using a combination of X-ray powder diffraction, neutron diffraction and transmission electron microscopy techniques, including electron diffraction, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), annular bright field STEM (ABF-STEM) and energy-dispersive X-ray compositional mapping (STEM-EDX). The compound crystallizes in the space group Pbam with unit cell parameters a = 37.468(9) A, b = 12.493(3) A, c = 3.95333(15) A. The structure consists of corner sharing (Nb,Ta)O6 octahedra forming trigonal, tetragonal and pentagonal tunnels. All tetragonal tunnels are occupied by K(+) ions, while 1/3 of the pentagonal tunnels are preferentially occupied by Nb(5+)/Ta(5+) and 2/3 are occupied by K(+) in a regular pattern. A fractional substitution of K(+) in the pentagonal tunnels by Nb(5+)/Ta(5+) is suggested by the analysis of the HAADF-STEM images. In contrast to similar structures, such as K2Nb8O21, also parts of the trigonal tunnels are fractionally occupied by K(+) cations. |
Address |
Electron Microscopy for Materials Research (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020, Antwerp, Belgium. joke.hadermann@uantwerpen.be babaryk@univ.kiev.ua |
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 |
English |
Wos |
000367614700018 |
Publication Date |
2015-11-23 |
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 |
1477-9226 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.029 |
Times cited |
6 |
Open Access |
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Notes |
We thank Dr E. Suard and Dr O. Fabello for assistance in collecting the neutron diffraction data. R.P.S. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS. The titan microscope was partly funded by the Hercules fund from the Flemish Government. The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483-ESTEEM2. AAB acknowledges the JSPDS ICDD Grant-in-Aid program (12-02).; esteem2jra1; esteem2jra2 |
Approved |
Most recent IF: 4.029 |
Call Number |
c:irua:130408 c:irua:130408 |
Serial |
3998 |
Permanent link to this record |
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Author |
Koelman, P.; Heijkers, S.; Tadayon Mousavi, S.; Graef, W.; Mihailova, D.; Kozak, T.; Bogaerts, A.; van Dijk, J. |
Title ![sorted by Title field, descending order (down)](img/sort_desc.gif) |
A Comprehensive Chemical Model for the Splitting of CO2in Non-Equilibrium Plasmas: A Comprehensive Chemical Model for CO2Splitting |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
14 |
Issue |
14 |
Pages |
1600155 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
An extensive CO2 plasmamodel is presented that is relevant for the production of ‘‘solar fuels.’’ It is based on reaction rate coefficients fromrigorously reviewed literature, and is augmented with reactionrate coefficients that are obtained fromscaling laws.The input data set,which is suitable for usage with the plasma simulation software Plasimo (https://plasimo.phys.tue.nl/), is available via the Plasimo and publisher’s websites.1 The correctness of this model implementation has been established by independent ZDPlasKin implementation (http://www.zdplaskin.
laplace.univ-tlse.fr/), to verify that the results agree. Results of these ‘‘global models’’ are presented for a DBD plasma reactor. |
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 |
000403074000009 |
Publication Date |
2016-10-17 |
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 |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
21 |
Open Access |
Not_Open_Access |
Notes |
Dutch Technology Foundation STW; Ministerie van Economische Zaken; Hercules Foundation; Acknowledgements: This research is supported by the Dutch Technology Foundation STW, which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) program PSI-Physical Chemistry of Plasma- Surface Interactions by the Belgian Federal Office for Science Policy (BELSPO). Part of the calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 2.846 |
Call Number |
PLASMANT @ plasmant @ c:irua:142643 |
Serial |
4565 |
Permanent link to this record |