| Records |
| Author |
Hadermann, J.; Abakumov, A.M.; Van Rompaey, S.; Mankevich, A.S.; Korsakov, I.E. |
| Title |
Comment on ALaMn2O6-y (A = K, Rb): novel ferromagnetic manganites exhibiting negative giant magnetoresistance |
Type |
Editorial |
| Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume  |
21 |
Issue |
9 |
Pages |
2000-2001 |
| Keywords |
Editorial; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000265781000036 |
Publication Date |
2009-04-14 |
| 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 |
4 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
| Call Number |
UA @ lucian @ c:irua:77055 |
Serial |
411 |
| Permanent link to this record |
| |
|
| |
| Author |
Doenen, M.; Zhang, L.; Erni, R.; Williams, O.A.; Hardy, A.; van Bael, M.K.; Wagner, P.; Haenen, K.; Nesladek, M.; Van Tendeloo, G. |
| Title |
Diamond nucleation by carbon transport from buried nanodiamond TiO2 sol-gel composites |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
| Volume |
21 |
Issue |
6 |
Pages |
670-673 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000263492000007 |
Publication Date |
2008-12-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0935-9648;1521-4095; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
19.791 |
Times cited |
20 |
Open Access |
|
| Notes |
Fwo; Iap-P6/42; Esteem 026019 |
Approved |
Most recent IF: 19.791; 2009 IF: NA |
| Call Number |
UA @ lucian @ c:irua:76329 |
Serial |
688 |
| Permanent link to this record |
| |
|
| |
| Author |
Croitoru, M.D.; Gladilin, V.N.; Fomin, V.M.; Devreese, J.T.; Kemerink, M.; Koenraad, P.M.; Sauthoff, K.; Wolter, J.H. |
| Title |
Electroluminescence spectra of an STM-tip-induced quantum dot |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
| Volume |
21 |
Issue |
|
Pages |
270-274 |
| Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000220873300024 |
Publication Date |
2004-01-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.221 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.221; 2004 IF: 0.898 |
| Call Number |
UA @ lucian @ c:irua:44291 |
Serial |
901 |
| Permanent link to this record |
| |
|
| |
| Author |
Tomecka, D.M.; Kamieniarz, G.; Partoens, B.; Peeters, F.M. |
| Title |
Ground state configurations and melting of two-dimensional non-uniformly charged classical clusters |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
21 |
Issue |
15 |
Pages |
155301,1-155301,7 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We consider classical two-dimensional (2D) Coulomb clusters consisting of two species containing five particles with charge q1 and five with charge q2, respectively. Using Monte Carlo and molecular dynamics (MD) simulations, we investigated the ground state configurations as well as radial and angular displacements of particles as a function of temperature and their dependence on the ratio q = q2/q1. We found new configurations and a new multi-step melting behavior for q sufficiently different from the uniform charge limit q = 1. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000264708600007 |
Publication Date |
2009-03-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.649; 2009 IF: 1.964 |
| Call Number |
UA @ lucian @ c:irua:76412 |
Serial |
1384 |
| Permanent link to this record |
| |
|
| |
| Author |
Janssens, K.L.; Partoens, B.; Peeters, F.M. |
| Title |
Influence of strain on the magneto-exciton in single and coupled InP/GaInP quantum disks |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
| Volume |
21 |
Issue |
2/4 |
Pages |
349-353 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000220873300041 |
Publication Date |
2004-02-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.221 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.221; 2004 IF: 0.898 |
| Call Number |
UA @ lucian @ c:irua:62428 |
Serial |
1635 |
| Permanent link to this record |
| |
|
| |
| Author |
Colomer, J.-F.; Marega, R.; Traboulsi, H.; Meneghetti, M.; Van Tendeloo, G.; Bonifazi, D. |
| Title |
Microwave-assisted bromination of double-walled carbon nanotubes |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
21 |
Issue |
20 |
Pages |
4747-4749 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000270807800001 |
Publication Date |
2009-09-28 |
| 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 |
46 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
| Call Number |
UA @ lucian @ c:irua:94504 |
Serial |
2080 |
| Permanent link to this record |
| |
|
| |
| Author |
Vlasov, I.I.; Barnard, A.S.; Ralchenko, V.G.; Lebedev, O.I.; Kanzyuba, M.V.; Saveliev, A.V.; Konov, V.I.; Goovaerts, E. |
| Title |
Nanodiamond photoemitters based on strong narrow-band luminescence from silicon-vacancy defects |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
| Volume |
21 |
Issue |
7 |
Pages |
808-812 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Nanostructured and organic optical and electronic materials (NANOrOPT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000263737800012 |
Publication Date |
2008-12-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0935-9648;1521-4095; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
19.791 |
Times cited |
98 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 19.791; 2009 IF: NA |
| Call Number |
UA @ lucian @ c:irua:74513 |
Serial |
2253 |
| Permanent link to this record |
| |
|
| |
| Author |
Caignaert, V.; Abakumov, A.M.; Pelloquin, D.; Pralong, V.; Maignan, A.; Van Tendeloo, G.; Raveau, B. |
| Title |
A new mixed-valence ferrite with a cubic structure, YBaFe4O7: spin-glass-like behavior |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
21 |
Issue |
6 |
Pages |
1116-1122 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A new mixed-valence ferrite, YBaFe4O7, has been synthesized. Its unique cubic structure, with a = 8.9595(2) Å, is closely related to that of the hexagonal 114 oxides YBaCo4O7 and CaBaFe4O7. It consists of corner-sharing FeO4 tetrahedra, forming triangular and kagome layers parallel to (111)C. In fact, the YBaFe4O7 and CaBaFe4O7 structures can be described as two different ccc and chch close packings of [BaO3]∞ and [O4]∞ layers, respectively, whose tetrahedral cavities are occupied by Fe2+/Fe3+ cations. The local structure of YBaFe4O7 is characterized by a large amount of stacking faults originating from the presence of hexagonal layers in the ccc cubic close-packed YBaFe4O7 structure. In this way, they belong to the large family of spinels and hexagonal ferrites studied for their magnetic properties. Differently from all the ferrites and especially from CaBaFe4O7, which are ferrimagnetic, YBaFe4O7 is an insulating spin glass with Tg = 50 K. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000264310900019 |
Publication Date |
2009-02-25 |
| 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 |
39 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
| Call Number |
UA @ lucian @ c:irua:76432 |
Serial |
2325 |
| Permanent link to this record |
| |
|
| |
| Author |
Wu, Z.; Zhang, Z.Z.; Chang, K.; Peeters, F.M. |
| Title |
Quantum tunneling through graphene nanorings |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
21 |
Issue |
18 |
Pages |
185201 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate theoretically quantum transport through graphene nanorings in the presence of a perpendicular magnetic field. Our theoretical results demonstrate that the graphene nanorings behave like a resonant tunneling device, contrary to the Aharonov-Bohm oscillations found in conventional semiconductor rings. The resonant tunneling can be tuned by the Fermi energy, the size of the central part of the graphene nanorings and the external magnetic field. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000276672100005 |
Publication Date |
2010-04-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484;1361-6528; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
34 |
Open Access |
|
| Notes |
; This work is partly supported by the NSFC, the project from the Chinese Academy of Sciences, the bilateral project between China and Sweden, the Flemish Science Foundation (FWLO-Vl) and the Belgium Science Policy (IAP). ; |
Approved |
Most recent IF: 3.44; 2010 IF: 3.652 |
| Call Number |
UA @ lucian @ c:irua:95614 |
Serial |
2796 |
| Permanent link to this record |
| |
|
| |
| Author |
Lisiecki, I.; Turner, S.; Bals, S.; Pileni, M.P.; Van Tendeloo, G. |
| Title |
The remarkable and intriguing resistance to oxidation of 2D ordered hcp Co nanocrystals: a new intrinsic property |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
21 |
Issue |
12 |
Pages |
2335-2338 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000267049200001 |
Publication Date |
2009-05-14 |
| 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 |
28 |
Open Access |
|
| Notes |
Iap-Vi; Esteem 026019 |
Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
| Call Number |
UA @ lucian @ c:irua:77887 |
Serial |
2867 |
| Permanent link to this record |
| |
|
| |
| Author |
Canioni, R.; Roch-Marchal, C.; Sécheresse, F.; Horcajada, P.; Serre, C.; Hardi-Dan, M.; Férey, G.; Grenèche, J.-M.; Lefebvre, F.; Chang, J.-S.; Hwang, Y.-K.; Lebedev, O.; Turner, S.; Van Tendeloo, G. |
| Title |
Stable polyoxometalate insertion within the mesoporous metal organic framework MIL-100(Fe) |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
| Volume |
21 |
Issue |
4 |
Pages |
1226-1233 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Successful encapsulation of polyoxometalate (POM) within the framework of a mesoporous iron trimesate MIL-100(Fe) sample has been achieved by direct hydrothermal synthesis in the absence of fluorine. XRPD, 31P MAS NMR, IR, EELS, TEM and 57Fe Mössbauer spectrometry corroborate the insertion of POM within the cavities of the MOF. The experimental Mo/Fe ratio is 0.95, in agreement with the maximum theoretical amount of POM loaded within the pores of MIL-100(Fe), based on steric hindrance considerations. The POM-MIL-100(Fe) sample exhibits a pore volume of 0.373 cm3 g−1 and a BET surface area close to 1000 m2 g−1, indicating that small gas molecules can easily diffuse inside the cavities despite the presence of heavy phosphomolybdates. These latter contribute to the decrease in the overall surface area, due to the increase in molar weight, by 65%. Moreover, the resulting Keggin containing MIL-100(Fe) solid is stable in aqueous solution with no POM leaching even after more than 2 months. In addition, no exchange of the Keggin anions by tetrabutylammonium perchlorate in organic media has been observed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000286110400042 |
Publication Date |
2010-11-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
158 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:88642 |
Serial |
3145 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Tendeloo, G.; Amelinckx, S.; de Boer, J.L.; van Smaalen, S.; Verheijen, M.A.; Meekes, H.; Meijer, G. |
| Title |
Structural phase transitions in C70 |
Type |
A1 Journal article |
| Year |
1993 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
| Volume |
21 |
Issue |
3 |
Pages |
329-334 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Cubic as well as hexagonal single crystals of C70 have been grown and investigated by electron diffraction, electron microscopy and X-ray diffraction. Several phase transitions have been detected and crystallographic models are proposed. Hexagonal crystals, stable at room temperature with c/a = 1.63 will undergo two transitions, upon cooling. First the c/a ratio will increase to 1.82 owing to c-axis allignment of the molecules; at a lower temperature the molecules will orientationally order, resulting in a monoclinic structure. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Paris |
Editor |
|
| Language |
|
Wos |
A1993KL31700013 |
Publication Date |
2007-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.095 |
Times cited |
58 |
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:6789 |
Serial |
3252 |
| Permanent link to this record |
| |
|
| |
| Author |
Ye, M.; Schroeder, J.; Deltour, R.; Delplancke, M.P.; Winand, R.; Verbist, K.; Van Tendeloo, G. |
| Title |
Structural properties of c-axis oriented epitaxial YBa2Cu3O7-\delta thin films |
Type |
A1 Journal article |
| Year |
1997 |
Publication |
Superlattices and microstructures |
Abbreviated Journal |
Superlattice Microst |
| Volume |
21 |
Issue |
suppl.A |
Pages |
287-290 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1997WM76700041 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0749-6036 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
2.123 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.123; 1997 IF: 0.694 |
| Call Number |
UA @ lucian @ c:irua:15470 |
Serial |
3255 |
| Permanent link to this record |
| |
|
| |
| Author |
Chen, Y.; Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M. |
| Title |
Superconducting nanowires: quantum confinement and spatially dependent Hartree-Fock potential |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
21 |
Issue |
43 |
Pages |
435701,1-435701,7 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
It is well known that, in bulk, the solution of the Bogoliubovde Gennes equations is the same whether or not the HartreeFock term is included. Here the HartreeFock potential is position independent and so gives the same contribution to both the single-electron energies and the Fermi level (the chemical potential). Thus, the single-electron energies measured from the Fermi level (they control the solution) stay the same. This is not the case for nanostructured superconductors, where quantum confinement breaks the translational symmetry and results in a position-dependent HartreeFock potential. In this case its contribution to the single-electron energies depends on the relevant quantum numbers. We numerically solved the Bogoliubovde Gennes equations with the HartreeFock term for a clean superconducting nanocylinder and found a shift of the curve representing the thickness-dependent oscillations of the critical superconducting temperature to larger diameters. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000270642700012 |
Publication Date |
2009-10-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
12 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.649; 2009 IF: 1.964 |
| Call Number |
UA @ lucian @ c:irua:79162 |
Serial |
3360 |
| Permanent link to this record |
| |
|
| |
| Author |
Zelaya, E.; Tolley, A.; Condo, A.M.; Schumacher, G. |
| Title |
Swift heavy ion irradiation of Cu-Zn-Al and Cu-Al-Ni alloys |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
21 |
Issue |
18 |
Pages |
185009-185009,8 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The effects produced by swift heavy ions in the martensitic (18R) and austenitic phase (beta) of Cu based shape memory alloys were characterized. Single crystal samples with a surface normal close to [210](18R) and [001](beta) were irradiated with 200 MeV of Kr(15+), 230 MeV of Xe(15+), 350 and 600 MeV of Au(26+) and Au(29+). Changes in the microstructure were studied with transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM). It was found that swift heavy ion irradiation induced nanometer sized defects in the 18R martensitic phase. In contrast, a hexagonal close-packed phase formed on the irradiated surface of beta phase samples. HRTEM images of the nanometer sized defects observed in the 18R martensitic phase were compared with computer simulated images in order to interpret the origin of the observed contrast. The best agreement was obtained when the defects were assumed to consist of local composition modulations. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000264934400014 |
Publication Date |
2009-03-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.649; 2009 IF: 1.964 |
| Call Number |
UA @ lucian @ c:irua:94551 |
Serial |
3399 |
| Permanent link to this record |
| |
|
| |
| Author |
Parsons, T.G.; d' Hondt, H.; Hadermann, J.; Hayward, M.A. |
| Title |
Synthesis and structural characterization of La1-xAxMnO2.5 (A = Ba, Sr, Ca) phases: mapping the variants of the brownmillerite structure |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
21 |
Issue |
22 |
Pages |
5527-5538 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Analysis of the structural parameters of phases that adopt brownmillerite-type structures suggests the distribution of the different complex ordering schemes adopted within this structure type can be rationalized by considering both the size of the separation between the tetrahedral layers and the tetrahedral chain distortion angle. A systematic study using structural data obtained from La1−xAxMnO2,5 (A = Ba, Sr, Ca,) phases, prepared by the topotactic reduction of the analogous La1−xAxMnO3 perovskite phases, was performed to investigate this relationship. By manipulating the A-cation composition, both the tetrahedral layer separation and tetrahedral chain distortion angle in the La1−xAxMnO2,5 phases were controlled and from the data obtained a ¡°structure map¡± of the different brownmillerite variants was plotted as a function of these structural parameters. This map has been extended to include a wide range of reported brownmillerite phases showing the structural ideas presented are widely applicable. The complete structural characterization of La1−xAxMnO2,5 0.1 ¡Ü x ¡Ü 0.33, A = Ba; 0.15 ¡Ü x ¡Ü 0.5 A = Sr, and 0.22 ¡Ü x ¡Ü 0.5 A = Ca is described and includes compositions which exhibit complex intralayer ordered structures and Mn2+/Mn3+ charge ordering. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000271756400021 |
Publication Date |
2009-10-29 |
| 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 |
60 |
Open Access |
|
| Notes |
Iap Vi |
Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
| Call Number |
UA @ lucian @ c:irua:79935 |
Serial |
3435 |
| Permanent link to this record |
| |
|
| |
| Author |
Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Van Tendeloo, G.; Greenblatt, M. |
| Title |
Synthesis and structure determination of ferromagnetic semiconductors LaAMnSnO6(A = Sr, Ba) |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
| Volume |
21 |
Issue |
1 |
Pages |
199-205 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
LaAMnSnO(6) (A = Sr, Ba) have been synthesized by high temperature solid-state reactions under dynamic 1% H(2)/Ar flow. Rietveld refinements on room temperature powder X-ray diffraction data indicate that LaSrMnSnO(6) crystallizes in the GdFeO(3)-structure, with space group Pnma and, combined with transmission electron microscopy, LaBaMnSnO(6) in Imma. Both space groups are common in disordered double-perovskites. The Mn(3+) and Sn(4+) ions whose valence states were confirmed by X-ray absorption spectroscopy, are completely disordered over the B-sites and the BO(6) octahedra are slightly distorted. LaAMnSnO(6) are ferromagnetic semiconductors with a T(C) = 83 K for the Sr- and 66 K for the Ba-compound. The title compounds, together with the previously reported LaCaMnSnO(6) provide an interesting example of progression from Pnma to Imma as the tolerance factor increases. An analysis of the relationship between space group and tolerance factor for the series LaAMnMO(6) (A = Ca, Sr, Ba; M = Sn, Ru) provides a better understanding of the symmetry determination for double perovskites. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000285067300025 |
Publication Date |
2010-10-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:95527 |
Serial |
3440 |
| Permanent link to this record |
| |
|
| |
| Author |
Gamez, G.; Bogaerts, A.; Hieftje, G.M. |
| Title |
Temporal and spatially resolved laser-scattering plasma diagnostics for the characterization of a ms-pulsed glow discharge |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
| Volume |
21 |
Issue |
|
Pages |
350-359 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000235990200015 |
Publication Date |
2006-01-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.379 |
Times cited |
17 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.379; 2006 IF: 3.630 |
| Call Number |
UA @ lucian @ c:irua:56539 |
Serial |
3503 |
| Permanent link to this record |
| |
|
| |
| Author |
Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C. |
| Title |
Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
| Volume |
21 |
Issue |
31 |
Pages |
11556-11565 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000293190200018 |
Publication Date |
2011-04-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
44 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:91945 |
Serial |
3632 |
| Permanent link to this record |
| |
|
| |
| Author |
Pereira, J.M.; Peeters, F.M.; Costa Filho, R.N.; Farias, G.A. |
| Title |
Valley polarization due to trigonal warping on tunneling electrons in graphene |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
21 |
Issue |
4 |
Pages |
045301,1-045301,4 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The effect of trigonal warping on the transmission of electrons tunneling through potential barriers in graphene is investigated. We present calculations of the transmission coefficient for single and double barriers as a function of energy, incidence angle and barrier heights. The results show remarkable valley-dependent directional effects for barriers oriented parallel to the armchair or parallel to the zigzag direction. These results indicate that electrostatic gates can be used as valley filters in graphene-based devices. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000262354700004 |
Publication Date |
2008-12-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
78 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.649; 2009 IF: 1.964 |
| Call Number |
UA @ lucian @ c:irua:75736 |
Serial |
3834 |
| Permanent link to this record |
| |
|
| |
| Author |
Sun, Z.; Madej, E.; Wiktor; Sinev, I.; Fischer, R.A.; Van Tendeloo, G.; Muhler, M.; Schuhmann, W.; Ventosa, E. |
| Title |
One-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene for lithium-ion batteries |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
| Volume |
21 |
Issue |
21 |
Pages |
16154-16161 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanostructure engineering has been demonstrated to improve the electrochemical performance of iron oxide based electrodes in Li-ion batteries (LIBs). However, the synthesis of advanced functional materials often requires multiple steps. Herein, we present a facile one-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene through high-pressure pyrolysis of ferrocene in the presence of pristine graphene. The ferrocene precursor supplies both iron and carbon to form the carbon-coated iron oxide, while the graphene acts as a high-surface-area anchor to achieve small metal oxide nanoparticles. When evaluated as a negative-electrode material for LIBs, our composite showed improved electrochemical performance compared to commercial iron oxide nanopowders, especially at fast charge/discharge rates. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000363890700036 |
Publication Date |
2015-09-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.317 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 5.317; 2015 IF: 5.731 |
| Call Number |
UA @ lucian @ c:irua:129510 |
Serial |
4218 |
| Permanent link to this record |
| |
|
| |
| Author |
Mefford, J.T.; Kurilovich, A.A.; Saunders, J.; Hardin, W.G.; Abakumov, A.M.; Forslund, R.P.; Bonnefont, A.; Dai, S.; Johnston, K.P.; Stevenson, K.J. |
| Title |
Decoupling the roles of carbon and metal oxides on the electrocatalytic reduction of oxygen on La1-xSrxCoO3-\delta perovskite composite electrodes |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
21 |
Issue |
6 |
Pages |
3327-3338 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Perovskite oxides are active room-temperature bifunctional oxygen electrocatalysts in alkaline media, capable of performing the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with lower combined overpotentials relative to their precious metal counterparts. However, their semiconducting nature necessitates the use of activated carbons as conductive supports to generate applicably relevant current densities. In efforts to advance the performance and theory of oxide electrocatalysts, the chemical and physical properties of the oxide material often take precedence over contributions from the conductive additive. In this work, we find that carbon plays an important synergistic role in improving the performance of La1-xSrxCoO3- (0 x 1) electrocatalysts through the activation of O-2 and spillover of radical oxygen intermediates, HO2- and O-2(-), which is further reduced through chemical decomposition of HO2- on the perovskite surface. Through a combination of thin-film rotating disk electrochemical characterization of the hydrogen peroxide intermediate reactions (hydrogen peroxide reduction reaction (HPRR), hydrogen peroxide oxidation reaction (HPOR)) and oxygen reduction reaction (ORR), surface chemical analysis, HR-TEM, and microkinetic modeling on La1-xSrxCoO3- (0 x 1)/carbon (with nitrogen and non-nitrogen doped carbons) composite electrocatalysts, we deconvolute the mechanistic aspects and contributions to reactivity of the oxide and carbon support. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000459584900049 |
Publication Date |
2019-01-18 |
| 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 |
5 |
Open Access |
OpenAccess |
| Notes |
; Financial support for this work was provided by the R. A. Welch Foundation (grants F-1529 and F-1319). S. D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. ; |
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:158625 |
Serial |
5244 |
| Permanent link to this record |
| |
|
| |
| Author |
Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G. |
| Title |
A systematic study of various 2D materials in the light of defect formation and oxidation |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
21 |
Issue |
3 |
Pages |
1089-1099 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The thermodynamic aspects of various 2D materials are explored using Density Functional Theory (DFT). Various metal chalcogenides (MX2, M = metal, chalcogen X = S, Se, Te) are investigated with respect to their interaction and stability under different ambient conditions met in the integration process of a transistor device. Their interaction with high- dielectrics is also addressed, in order to assess their possible integration in Complementary Metal Oxide Semiconductor (CMOS) field effect transistors. 2D materials show promise for high performance nanoelectronic devices, but the presence of defects (vacancies, grain boundaries,...) can significantly impact their electronic properties. To assess the impact of defects, their enthalpies of formation and their signature levels in the density of states have been studied. We find, consistently with literature reports, that chalcogen vacancies are the most likely source of defects. It is shown that while pristine 2D materials are in general stable whenever set in contact with different ambient atmospheres, the presence of defective sites affects the electronic properties of the 2D materials to varying degrees. We observe that all the 2D materials studied in the present work show strong reactivity towards radical oxygen plasma treatments while reactivity towards other common gas phase chemical such as O-2 and H2O and groups present at the high- surface varies significantly between species. While energy band-gaps, effective masses and contact resistivities are key criteria in selection of 2D materials for scaled CMOS and tunneling based devices, the phase and ambient stabilities might also play a very important role in the development of reliable nanoelectronic applications. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000456147000009 |
Publication Date |
2018-12-19 |
| 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 |
1 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:156715 |
Serial |
5267 |
| Permanent link to this record |
| |
|
| |
| Author |
Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. |
| Title |
Introducing novel electronic and magnetic properties in C3N nanosheets by defect engineering and atom substitution |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
21 |
Issue |
37 |
Pages |
21070-21083 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using first-principles calculations the effect of topological defects, vacancies, Stone-Wales and anti-site and substitution of atoms, on the structure and electronic properties of monolayer C3N are investigated. Vacancy defects introduce localized states near the Fermi level and a local magnetic moment. While pristine C3N is an indirect semiconductor with a 0.4 eV band gap, with substitution of O, S and Si atoms for C, it remains a semiconductor with a band gap in the range 0.25-0.75 eV, while it turns into a metal with H, Cl, B, P, Li, Na, K, Be and Mg substitution. With F substitution, it becomes a dilute-magnetic semiconductor, while with Ca substitution it is a ferromagnetic-metal. When replacing the N host atom, C3N turns into: a metal (H, O, S, C, Si, P, Li and Be), ferromagnetic-metal (Mg), half-metal (Ca) and spin-glass semiconductor (Na and K). Moreover, the effects of charging and strain on the electronic properties of Na atom substitution in C3N are investigated. We found that the magnetic moment decreases or increases depending on the type and size of strain (tensile or compression). Our study shows how the band gap and magnetism in monolayer C3N can be tuned by introducing defects and atom substitution. The so engineered C3N can be a good candidate for future low dimensional devices. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000489984200050 |
Publication Date |
2019-09-09 |
| 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 |
59 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:163732 |
Serial |
5418 |
| Permanent link to this record |
| |
|
| |
| Author |
de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. |
| Title |
Ionized water confined in graphene nanochannels |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
21 |
Issue |
18 |
Pages |
9285-9295 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
When confined between graphene layers, water behaves differently from the bulk and exhibits unusual properties such as fast water flow and ordering into a crystal. The hydrogen-bonded network is affected by the limited space and by the characteristics of the confining walls. The presence of an extraordinary number of hydronium and hydroxide ions in narrow channels has the following effects: (i) they affect water permeation through the channel, (ii) they may interact with functional groups on the graphene oxide surface and on the edges, and (iii) they change the thermochemistry of water, which are fundamentally important to understand, especially when confined water is subjected to an external electric field. Here we study the physical properties of water when confined between two graphene sheets and containing hydronium and hydroxide. We found that: (i) there is a disruption in the solvation structure of the ions, which is also affected by the layered structure of confined water, (ii) hydronium and hydroxide occupy specific regions inside the nanochannel, with a prevalence of hydronium (hydroxide) ions at the edges (interior), and (iii) ions recombine more slowly in confined systems than in bulk water, with the recombination process depending on the channel height and commensurability between the size of the molecules and the nanochannel height – a decay of 20% (40%) in the number of ions in 8 ps is observed for a channel height of h = 7 angstrom (bulk water). Our work reveals distinctive properties of water confined in a nanocapillary in the presence of additional hydronium and hydroxide ions. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000472922500028 |
Publication Date |
2019-03-22 |
| 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 |
10 |
Open Access |
|
| Notes |
; This work was supported by the Fund for Scientific Research Flanders (FWO-Vl) and the Methusalem programe. ; |
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:161377 |
Serial |
5419 |
| Permanent link to this record |
| |
|
| |
| Author |
Nakhaee, M.; Yagmurcukardes, M.; Ketabi, S.A.; Peeters, F.M. |
| Title |
Single-layer structures of a100- and b010-Gallenene : a tight-binding approach |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
21 |
Issue |
28 |
Pages |
15798-15804 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using the simplified linear combination of atomic orbitals (LCAO) method in combination with ab initio calculations, we construct a tight-binding (TB) model for two different crystal structures of monolayer gallium: a(100)- and b(010)-Gallenene. The analytical expression for the Hamiltonian and numerical results for the overlap matrix elements between different orbitals of the Ga atoms and for the Slater and Koster (SK) integrals are obtained. We find that the compaction of different structures affects significantly the formation of the orbitals. The results for a(100)-Gallenene can be very well explained with an orthogonal basis set, while for b(010)-Gallenene we have to assume a non-orthogonal basis set in order to construct the TB model. Moreover, the transmission properties of nanoribbons of both monolayers oriented along the AC and ZZ directions are also investigated and it is shown that both AC- and ZZ-b(010)-Gallenene nanoribbons exhibit semiconducting behavior with zero transmission while those of a(100)-Gallenene nanoribbons are metallic. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000476603700057 |
Publication Date |
2019-06-27 |
| 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 |
14 |
Open Access |
|
| Notes |
; This work is supported by the Methusalem program of the Flemish government and the FLAG-ERA project TRANS-2D-TMD. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M. Y.). M. N. is partially supported by BFO (Uantwerpen). ; |
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:161881 |
Serial |
5427 |
| Permanent link to this record |
| |
|
| |
| Author |
Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F. |
| Title |
Tuning the electronic and magnetic properties of antimonene nanosheets via point defects and external fields: first-principles calculations |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
21 |
Issue |
20 |
Pages |
10552-10566 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Defects are inevitably present in materials, and their existence in a material strongly affects its fundamental physical properties. We have systematically investigated the effects of surface adsorption, substitutional impurities, defect engineering, an electric field and strain engineering on the structural, electronic and magnetic properties of antimonene nanosheets, using spin-polarized density functional calculations based on first-principles. The adsorption or substitution of atoms can locally modify the atomic and electronic structures as well as induce a variety of electronic behaviors including metal, half-metal, ferromagnetic metal, dilute magnetic semiconductor and spin-glass semiconductor. Our calculations show that the presence of typical defects (vacancies and Stone-Wales defect) in antimonene affects the geometrical symmetry as well as the band gap in the electronic band structure and induces magnetism to antimonene. Moreover, by applying an external electric field and strain (uniaxial and biaxial), the electronic structure of antimonene can be easily modified. The calculation results presented in this paper provide a fundamental insight into the tunable nature of the electronic properties of antimonene, supporting its promise for use in future applications. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000476561000031 |
Publication Date |
2019-04-25 |
| 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 |
17 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:161945 |
Serial |
5430 |
| Permanent link to this record |
| |
|
| |
| Author |
Terzano, R.; Spagnuolo, M.; Medici, L.; Tateo, F.; Vekemans, B.; Janssens, K.; Ruggiero, P. |
| Title |
Spectroscopic investigation on the chemical forms of Cu during the synthesis of zeolite X at low temperature |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Applied geochemistry |
Abbreviated Journal |
Appl Geochem |
| Volume |
21 |
Issue |
6 |
Pages |
993-1005 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000238827500010 |
Publication Date |
2006-05-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0883-2927 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.581 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.581; 2006 IF: 1.866 |
| Call Number |
UA @ admin @ c:irua:59636 |
Serial |
5841 |
| Permanent link to this record |
| |
|
| |
| Author |
Thomassen, G.; Van Dael, M.; You, F.; Van Passel, S. |
| Title |
A multi-objective optimization-extended techno-economic assessment : exploring the optimal microalgal-based value chain |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
| Volume |
21 |
Issue |
21 |
Pages |
5945-5959 |
| Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
The use of fossil-based products induces a large environmental burden. To lighten this burden, green technologies are required that can replace their fossil-based counterparts. To enable the development of economically viable green technologies, an optimization towards both economic and environmental objectives is required. To perform this multi-objective optimization (MOO), the environmental techno-economic assessment (ETEA) methodology is extended towards a MOO-extended ETEA. The development of this MOO-extended ETEA is the main objective of this manuscript. As an example of a green technology, the concept of microalgae biorefineries is used as a case study to illustrate the MOO-extended ETEA. According to the results, all optimal value chains include open pond cultivation, a membrane for medium recycling and spray drying. The optimal economic value chain uses Nannochloropsis sp. in a one-stage cultivation to produce fish larvae feed, while the optimal environmental design uses Dunaliella salina or Haematococcus pluvialis to produce carotenoids and fertilizer or energy products, by means of anaerobic digestion or gasification. The crucial parameters for both environmental and economic feasibility are the content, price and reference impact of the main end product, the growth parameters and the biomass and carotenoid recovery efficiency alongside the different process steps. By identifying the economic and environmentally optimal algal-based value chain and the crucial drivers, the MOO-extended ETEA provides insights on how algae-based value chains can be developed in the most economic and environmentally-friendly way. For example, the inclusion of a medium recycling step to lower the water and salt consumption is required in all Pareto-optimal scenarios. Another major insight is the requirement of high-value products such as carotenoids or specialty food to obtain and economically and environmentally feasible algal-based value chain. Due to the modular nature of the MOO-extended ETEA, multiple processes can be included or excluded from the superstructure. Although this case study is limited to current microalgae biorefinery technologies, the MOO-extended ETEA can also be used to assess the economic and environmental effect of more innovative technologies. This way, the MOO-extended ETEA provides a methodology to assess the economic and environmental potential of innovative green technologies and shorten their time-to-market. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000493077100016 |
Publication Date |
2019-10-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9262; 1463-9270 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.125 |
Times cited |
1 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 9.125 |
| Call Number |
UA @ admin @ c:irua:164296 |
Serial |
6230 |
| Permanent link to this record |
| |
|
| |
| Author |
Thomassen, G.; Van Dael, M.; Van Passel, S.; You, F. |
| Title |
How to assess the potential of emerging green technologies? Towards a prospective environmental and techno-economic assessment framework |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
| Volume |
21 |
Issue |
18 |
Pages |
4868-4886 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
For sustainable production and consumption, emerging green technologies need to be optimized towards a minimal environmental impact and a maximal economic impact. In an early stage of technology development, more flexibility is available to adapt the technology. Therefore, a prospective environmental and techno-economic assessment is required. The prospective assessment differs at the different stages of technology development, as also the data availability and accuracy evolves. This paper reviews the different prospective technological, economic and environmental assessment methods which have been used to assess the potential of new green chemical technologies. Based on the current best practices, an overarching framework is introduced to assess the technological, economic and environmental potential of an emerging green chemical technology at the different stages of technology development. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000486309300002 |
Publication Date |
2019-08-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9262; 1463-9270 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.125 |
Times cited |
5 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 9.125 |
| Call Number |
UA @ admin @ c:irua:163782 |
Serial |
6211 |
| Permanent link to this record |
