| |
Records |
|
Author |
Abakumov, A.M.; Erni, R.; Tsirlin, A.A. |
| |
Title |
Reply to Comment on “Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites” |
Type  |
Editorial |
| |
Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
26 |
Issue |
2 |
Pages |
1288 |
| |
Keywords |
Editorial; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000330543600051 |
Publication Date |
2014-01-03 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.466 |
Times cited |
1 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
| |
Call Number |
UA @ lucian @ c:irua:115730 |
Serial |
2874 |
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
| |
Title |
Reply to “Comment on 'Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements' ” |
Type |
Editorial |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
90 |
Issue |
5 |
Pages |
056502 |
| |
Keywords |
Editorial; Condensed Matter Theory (CMT) |
| |
Abstract |
Our calculations, within known limitations of Ginzburg-Landau theory, are fully correct and valid for transport phenomena in asymmetric mesoscopic superconductors, deep in the superconducting state. We deemed the experiments of Burlakov et al. [JETP Lett. 86, 517 (2007)] relevant and important to mention in the general context of our paper since the observed shifts in the oscillations of different quantities are qualitatively similar, even though those measurements are performed close to the superconducting-normal state transition in the so-called Little-Parks regime. |
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Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000341266400006 |
Publication Date |
2014-08-28 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
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 |
1 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| |
Call Number |
UA @ lucian @ c:irua:119256 |
Serial |
2876 |
| Permanent link to this record |
| |
|
| |
|
Author |
Hadermann, J.; Palatinus, L. |
| |
Title |
Introducton to the special issue on electron crystallography |
Type |
Editorial |
| |
Year |
2019 |
Publication |
And Materials |
Abbreviated Journal |
|
| |
Volume |
75 |
Issue |
4 |
Pages |
462-462 |
| |
Keywords |
Editorial; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
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 |
000480512600028 |
Publication Date |
2019-08-05 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
2 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ admin @ c:irua:161845 |
Serial |
5389 |
| Permanent link to this record |
| |
|
| |
|
Author |
Canossa, S.; Wuttke, S. |
| |
Title |
Functionalization chemistry of porous materials |
Type |
Editorial |
| |
Year |
2020 |
Publication |
Advanced Functional Materials |
Abbreviated Journal |
Adv Funct Mater |
| |
Volume |
30 |
Issue |
41 |
Pages |
2003875 |
| |
Keywords |
Editorial; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000580514700004 |
Publication Date |
2020-10-08 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
19 |
Times cited |
1 |
Open Access |
OpenAccess |
| |
Notes |
; ; |
Approved |
Most recent IF: 19; 2020 IF: 12.124 |
| |
Call Number |
UA @ admin @ c:irua:173614 |
Serial |
6524 |
| Permanent link to this record |
| |
|
| |
|
Author |
Mortet, V.; Zhang, L.; Echert, M.; Soltani, A.; d' Haen, J.; Douheret, O.; Moreau, M.; Osswald, S.; Neyts, E.; Troadec, D.; Wagner, P.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K. |
| |
Title |
Characterization of nano-crystalline diamond films grown under continuous DC bias during plasma enhanced chemical vapor deposition |
Type |
A3 Journal article |
| |
Year |
2009 |
Publication |
Materials Research Society symposium proceedings |
Abbreviated Journal |
|
| |
Volume |
|
Issue |
1203 |
Pages |
|
| |
Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Nanocrystalline diamond films have generated much interested due to their diamond-like properties and low surface roughness. Several techniques have been used to obtain a high re-nucleation rate, such as hydrogen poor or high methane concentration plasmas. In this work, the properties of nano-diamond films grown on silicon substrates using a continuous DC bias voltage during the complete duration of growth are studied. Subsequently, the layers were characterised by several morphological, structural and optical techniques. Besides a thorough investigation of the surface structure, using SEM and AFM, special attention was paid to the bulk structure of the films. The application of FTIR, XRD, multi wavelength Raman spectroscopy, TEM and EELS yielded a detailed insight in important properties such as the amount of crystallinity, the hydrogen content and grain size. Although these films are smooth, they are under a considerable compressive stress. FTIR spectroscopy points to a high hydrogen content in the films, while Raman and EELS indicate a high concentration of sp2 carbon. TEM and EELS show that these films consist of diamond nano-grains mixed with an amorphous sp2 bonded carbon, these results are consistent with the XRD and UV Raman spectroscopy data. |
| |
Address |
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Wuhan |
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
2010-03-27 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1946-4274; |
ISBN |
|
Additional Links |
UA library record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:81646 |
Serial |
327 |
| Permanent link to this record |
| |
|
| |
|
Author |
Shimizu, K.; Habazaki, H.; Bender, H.; Gijbels, R. |
| |
Title |
The dawn of surface analysis that stands by the side users: ultra-thin film analysis by rf-GDOES |
Type |
A3 Journal article |
| |
Year |
2004 |
Publication |
Engineering materials |
Abbreviated Journal |
|
| |
Volume |
52 |
Issue |
9 |
Pages |
97-101 |
| |
Keywords |
A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:51978 |
Serial |
607 |
| Permanent link to this record |
| |
|
| |
|
Author |
Muto, S.; Schryvers, D. |
| |
Title |
Electron-irridation-induced martensitic transformation in a Ni63Al37 observed in-situ by HREM |
Type |
A3 Journal article |
| |
Year |
1993 |
Publication |
MRS Japan: shape memory materials |
Abbreviated Journal |
|
| |
Volume |
18 |
Issue |
B |
Pages |
853-856 |
| |
Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
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Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ lucian @ c:irua:48357 |
Serial |
937 |
| Permanent link to this record |
| |
|
| |
|
Author |
Schryvers, D.; Tanner, L.E. |
| |
Title |
Electron microscopy of stress-induced martensite and pretransition microstructures in Ni62.5Al37.5 |
Type |
A3 Journal article |
| |
Year |
1992 |
Publication |
Shape memory materials and phenomena: fundamental aspects and applications |
Abbreviated Journal |
|
| |
Volume |
246 |
Issue |
|
Pages |
33-38 |
| |
Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
A1992BW94E00005 |
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
5 |
Open Access |
|
| |
Notes |
|
Approved |
CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 # |
| |
Call Number |
UA @ lucian @ c:irua:4367 |
Serial |
964 |
| Permanent link to this record |
| |
|
| |
|
Author |
Schryvers, D.; Ma, Y.; Toth, L.; Tanner, L.E. |
| |
Title |
EM study of twinning in the Ni5Al3 bainitic phase |
Type |
A3 Journal article |
| |
Year |
1993 |
Publication |
Twinning in advanced materials |
Abbreviated Journal |
|
| |
Volume |
|
Issue |
|
Pages |
395-402 |
| |
Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
A1994BB13P00037 |
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
| |
Call Number |
UA @ lucian @ c:irua:48358 |
Serial |
1031 |
| Permanent link to this record |
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|
| |
|
Author |
Oleshko, V.P.; Gijbels, R.H.; van Daele, A.J.; Jacob, W.A. |
| |
Title |
On estimation of the dielectric function of Ag(Br,I) nanocrystals by cryo-EELS (addendum) |
Type |
A3 Journal article |
| |
Year |
1999 |
Publication |
Nanostructered materials |
Abbreviated Journal |
|
| |
Volume |
11 |
Issue |
|
Pages |
687-688 |
| |
Keywords |
A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:28332 |
Serial |
2431 |
| Permanent link to this record |
| |
|
| |
|
Author |
Schryvers, D.; Tanner, L.E. |
| |
Title |
On the phase-like nature of the 7M structure in Ni-Al |
Type |
A3 Journal article |
| |
Year |
1993 |
Publication |
MRS Japan: shape memory materials |
Abbreviated Journal |
|
| |
Volume |
18 |
Issue |
B |
Pages |
849-852 |
| |
Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
A1994BC69J00183 |
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ lucian @ c:irua:48356 |
Serial |
2447 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nikolaev, A.V.; Prassides, K.; Michel, K.H. |
| |
Title |
Phase transitions in AC60 (A=Rb, Cs) fullerides |
Type |
A3 Journal article |
| |
Year |
1997 |
Publication |
Recent advances in the chemistry and physics of fullerenes and related materials |
Abbreviated Journal |
|
| |
Volume |
5 |
Issue |
|
Pages |
450-460 |
| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:21182 |
Serial |
2596 |
| Permanent link to this record |
| |
|
| |
|
Author |
Vanhellemont, J.; Romano-Rodriguez, A.; Fedina, L.; van Landuyt, J.; Aseev, A. |
| |
Title |
Point defect reactions in silicon studies in situ by high flux electron irradiation in high voltage transmission electron microscope |
Type |
A3 Journal article |
| |
Year |
1995 |
Publication |
Materials science and technology |
Abbreviated Journal |
|
| |
Volume |
11 |
Issue |
|
Pages |
1194-1204 |
| |
Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
A1995TQ95100016 |
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
7 |
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ lucian @ c:irua:13297 |
Serial |
2655 |
| Permanent link to this record |
| |
|
| |
|
Author |
Tanner, L.E.; Shapiro, S.M.; Schryvers, D.; Noda, Y. |
| |
Title |
Review of phonon behaviour and microstructural development leading to martensitic transformations in NixAl100-x alloys |
Type |
A3 Journal article |
| |
Year |
1992 |
Publication |
Shape memory materials and phenomena: fundamental aspects and applications |
Abbreviated Journal |
|
| |
Volume |
246 |
Issue |
|
Pages |
265-276 |
| |
Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
A1992BW94E00038 |
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
4 |
Open Access |
|
| |
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
| |
Call Number |
UA @ lucian @ c:irua:4368 |
Serial |
2904 |
| Permanent link to this record |
| |
|
| |
|
Author |
Schryvers, D.; Tanner, L.E. |
| |
Title |
On the phase-like nature of the 7M structure in Ni-Al |
Type |
A3 Journal Article |
| |
Year |
1994 |
Publication |
Ecomaterials |
Abbreviated Journal |
|
| |
Volume |
|
Issue |
|
Pages |
849-852 |
| |
Keywords |
A3 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
| |
Abstract |
The existence of the (52) stacking of the 7M martensite structure in Ni-Al is discussed in view of different experimental observations relating this structure to the premartensitic anomalies. It is concluded that the extreme fineness of the twinning is inherited from the wavelength of the premartensitic anomalies, while, given this dimension, the actual stacking tries to comply with stress free habit plane conditions by choosing the specific (52) stacking. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
Elsevier |
Place of Publication |
|
Editor |
Yamamoto, R.; Furubayashi, E.; Doi, Y.; Fang, R.; Liu, B.; Otsuka, K.; Liu, C.T.; Shimizu, K.; Suzuki, Y.; Van Humbeeck, J.; Fukai, Y.; Ono, S.; Suda, S. |
| |
Language |
|
Wos |
|
Publication Date |
2013-12-18 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
|
ISBN |
978-1-4832-8381-4 |
Additional Links |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
EMAT @ emat @ |
Serial |
5052 |
| Permanent link to this record |
| |
|
| |
|
Author |
Kumar, M.; Sengupta, A.; Kummamuru, N.B. |
| |
Title |
Molecular simulations for carbon dioxide capture in silica slit pores |
Type |
A3 Journal article |
| |
Year |
2023 |
Publication |
Materials Today: Proceedings |
Abbreviated Journal |
|
| |
Volume |
|
Issue |
|
Pages |
1-9 |
| |
Keywords |
A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| |
Abstract |
In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement. |
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Address |
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| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
2023-05-06 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2214-7853 |
ISBN |
|
Additional Links |
UA library record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ admin @ c:irua:200944 |
Serial |
9058 |
| Permanent link to this record |
| |
|
| |
|
Author |
Vávra, O.; Gaži, S.; Golubović, D.S.; Vávra, I.; Dérer, J.; Verbeeck, J.; Van Tendeloo, G.; Moshchalkov, V.V. |
| |
Title |
0 and π phase Josephson coupling through an insulating barrier with magnetic impurities |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
74 |
Issue |
2 |
Pages |
020502 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
We have studied the temperature and field dependencies of the critical current I(C) in the Nb-Fe(0.1)Si(0.9)-Nb Josephson junction with a tunneling barrier formed by a paramagnetic insulator. We demonstrate that in these junctions coexistence of both the 0 and the pi states within one tunnel junction occurs, and leads to the appearance of a sharp cusp in the temperature dependence I(C)(T), similar to the I(C)(T) cusp found for the 0-pi transition in metallic pi junctions. This cusp is not related to the 0-pi temperature-induced transition itself, but is caused by the different temperature dependencies of the opposing 0 and pi supercurrents through the barrier. |
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Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000239426600010 |
Publication Date |
2006-07-15 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
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 |
27 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
| |
Call Number |
UA @ lucian @ c:irua:60087 c:irua:60087 c:irua:60087 c:irua:60087UA @ admin @ c:irua:60087 |
Serial |
1 |
| Permanent link to this record |
| |
|
| |
|
Author |
Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M. |
| |
Title |
The (3 + 2)D structure of oxygen deficient LaSrCuO3.52 |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
| |
Volume |
17 |
Issue |
22 |
Pages |
2344-2350 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| |
Language |
|
Wos |
000247349400020 |
Publication Date |
2007-04-18 |
| |
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 |
7 |
Open Access |
|
| |
Notes |
Supergmr:Hprn-Ct-2000-0021 |
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:64749 c:irua:64749 |
Serial |
13 |
| Permanent link to this record |
| |
|
| |
|
Author |
Cao, S.; Tirry, W.; van den Broek, W.; Schryvers, D. |
| |
Title |
3D reconstruction of Ni4Ti3 precipitates in a Ni51Ti49 alloy in a FIB/SEM dual-beam system |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Materials science forum |
Abbreviated Journal |
|
| |
Volume |
583 |
Issue |
|
Pages |
277-284 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
| |
Abstract |
Ni4Ti3 precipitates play an important role in the shape memory and superelastic behaviour of thermo-mechanically treated Ni-Ti material. The 3D morphology and distribution of such precipitates with lenticular shape and rhombohedral atomic structure in the austenitic B2 matrix of a binary Ni-rich Ni-Ti alloy has been elucidated via a slice view procedure in a Dual-Beam FIB/SEM system. With the sequence of cross-section SE images obtained from the SEM, a 3D reconstruction has been achieved after proper alignment and image processing, from which both qualitative and quantitative analysis can be performed. Careful imaging is needed to ensure that all variants of the precipitates are observed with equal probability, regardless sample orientation. Moreover, due to the weak contrast of the precipitates, proper imaging conditions need to be selected to allow for semi-automated image treatment. Finally, a volume ratio of 10.2% for the Ni4Ti3 precipitates could be calculated, summed over all variants, which yields a net composition of Ni50.36Ti49.64 for the matrix, leading to an increase of 113 degrees for the martensitic start temperature Ms. Also, the expected relative orientation of the different variants of the precipitates could be confirmed. In the near future, other quantitative measures on the distribution of the precipitates can be expected. |
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Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
2009-03-11 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1662-9752; |
ISBN |
|
Additional Links |
UA library record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
Multimat; Fwo |
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:77454 |
Serial |
16 |
| Permanent link to this record |
| |
|
| |
|
Author |
Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. |
| |
Title |
30-band k\cdot p model of electron and hole states in silicon quantum wells |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
88 |
Issue |
20 |
Pages |
205306 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000327161500007 |
Publication Date |
2013-11-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
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 |
10 |
Open Access |
|
| |
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| |
Call Number |
UA @ lucian @ c:irua:112704 |
Serial |
18 |
| Permanent link to this record |
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|
| |
|
Author |
Cassiers, K.; van der Voort, P.; Linssen, T.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. |
| |
Title |
A counterion-catalyzed (S0H+)(X-I+) pathway toward heat- and steam-stable mesostructured silica assembled from amines in acidic conditions |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
Abbreviated Journal |
J Phys Chem B |
| |
Volume |
107 |
Issue |
16 |
Pages |
3690-3696 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
| |
Abstract |
An alternative pathway to assemble mesoporous molecular sieve silicas is developed using nonionic alkylamines and N,N-dimethylalkylamines (SO) as structure-directing agents in acidic conditions. The synthesized mesostructures possess wormhole-like frameworks with pore sizes and pore volumes in the range of 20-90 Angstrom and 0.5-1.3 cm(3)/g, respectively. The formation of the mesophase is controlled by a counterion-mediated mechanism of the type (S(0)H(+))(X(-)I(+)), where S(0)H(+) are protonated water molecules that are hydrogen bonded to the lone electron pairs on the amine surfactant headgroups (S(0)H(+)), X(-) is the counteranion originating from the acid, and I(+) are the positively charged (protonated) silicate species. We found that the stronger the ion X(-) is bonded to S(0)H(+), the more it catalyzes the silica condensation into (S(0)H(+))(X(-)I(+)). Br(-) is shown to be a strong binding anion and therefore a fast silica polymerization promoter compared to Cl(-) resulting in the formation of a higher quality mesophase for the Br(-) syntheses. We also showed that the polymerization rate of the silica, dictated by the counterion, controls the morphology of the mesostructures from nonuniform agglomerated blocks in the case of Br(-) syntheses to spherical particles for the Cl(-) syntheses. Next to many benefits such as low temperature, short synthesis time, and the use of inexpensive, nontoxic, and easily extractable amine templates, the developed materials have a remarkable higher thermal and hydrothermal stability compared to hexagonal mesoporous silica, which is also prepared with nonionic amines but formed through the S(0)I(0) mechanism. |
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Address |
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Corporate Author |
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Thesis |
|
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000182350200005 |
Publication Date |
2003-04-17 |
| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1520-6106;1520-5207; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.177 |
Times cited |
9 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.177; 2003 IF: 3.679 |
| |
Call Number |
UA @ lucian @ c:irua:103300 |
Serial |
24 |
| Permanent link to this record |
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| |
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Author |
Dadsetani, M.; Titantah, J.T.; Lamoen, D. |
| |
Title |
Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Diamond and related materials |
Abbreviated Journal |
Diam Relat Mater |
| |
Volume |
19 |
Issue |
1 |
Pages |
73-77 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon, glitter, hexagonite and lonsdaleite) are calculated within the supercell-core-excited density functional theory approach. In particular an experimental ELNES spectrum of new diamond (n-diamond) [Konyashin et al., Diamond Relat. Mater. 10, (2001) 99102] is compared with the ELNES spectra of FCC carbon, rhombohedral carbon and the so-called glitter structure. Our calculations show that the ELNES spectrum considered in that publication cannot be that of FCC carbon. |
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Address |
|
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Corporate Author |
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Thesis |
|
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000274234500013 |
Publication Date |
2009-11-12 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0925-9635; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.561 |
Times cited |
11 |
Open Access |
|
| |
Notes |
Goa; Esteem 026019 |
Approved |
Most recent IF: 2.561; 2010 IF: 1.825 |
| |
Call Number |
UA @ lucian @ c:irua:79444 |
Serial |
29 |
| Permanent link to this record |
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| |
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Author |
Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G. |
| |
Title |
Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
| |
Volume |
210 |
Issue |
10 |
Pages |
1976-1984 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Aberration-corrected transmission electron microscopy, electron energy-loss spectroscopy, and density functional theory (DFT) calculations are used to solve several key questions about the surface structure, the particle morphology, and the distribution and nature of nitrogen impurities in detonation nanodiamond (DND) cleaned by a recently developed ozone treatment. All microscopy and spectroscopy measurements are performed at a lowered acceleration voltage (80/120kV), allowing prolonged and detailed experiments to be carried out while minimizing the risk of knock-on damage or surface graphitization of the nanodiamond. High-resolution TEM (HRTEM) demonstrates the stability of even the smallest nanodiamonds under electron illumination at low voltage and is used to image the surface structure of pristine DND. High resolution electron energy-loss spectroscopy (EELS) measurements on the fine structure of the carbon K-edge of nanodiamond demonstrate that the typical * pre-peak in fact consists of three sub-peaks that arise from the presence of, amongst others, minimal fullerene-like reconstructions at the nanoparticle surfaces and deviations from perfect sp(3) coordination at defects in the nanodiamonds. Spatially resolved EELS experiments evidence the presence of nitrogen within the core of DND particles. The nitrogen is present throughout the whole diamond core, and can be enriched at defect regions. By comparing the fine structure of the experimental nitrogen K-edge with calculated energy-loss near-edge structure (ELNES) spectra from DFT, the embedded nitrogen is most likely related to small amounts of single substitutional and/or A-center nitrogen, combined with larger nitrogen clusters. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000329299700025 |
Publication Date |
2013-10-18 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1862-6300; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.775 |
Times cited |
37 |
Open Access |
|
| |
Notes |
262348 ESMI; 246791 COUNTATOMS; FWO; Hercules; GOA XANES meets ELNES |
Approved |
Most recent IF: 1.775; 2013 IF: 1.525 |
| |
Call Number |
UA @ lucian @ c:irua:110821UA @ admin @ c:irua:110821 |
Serial |
41 |
| Permanent link to this record |
| |
|
| |
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Author |
Farias, G.A.; da Costa, W.B.; Peeters, F.M. |
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Title |
Acoustical polarons and bipolarons in two dimensions |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
54 |
Issue |
|
Pages |
12835-12840 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
|
| |
Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
A1996VT68200039 |
Publication Date |
2002-07-27 |
| |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.736 |
Times cited |
30 |
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ lucian @ c:irua:15790 |
Serial |
54 |
| Permanent link to this record |
| |
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| |
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Author |
García, J.H.; Uchoa, B.; Covaci, L.; Rappoport, T.G. |
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Title |
Adatoms and Anderson localization in graphene |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
90 |
Issue |
8 |
Pages |
085425 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We address the nature of the disordered state that results from the adsorption of adatoms in graphene. For adatoms that sit at the center of the honeycomb plaquette, as in the case of most transition metals, we show that the ones that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms where Anderson localization is suppressed, leading to an exotic metallic state with large and rare charge droplets, that localizes only at the Dirac point. We identify the experimental conditions for the observation of the Anderson transition for adatoms in graphene. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000341238600004 |
Publication Date |
2014-08-22 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
| |
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 |
12 |
Open Access |
|
| |
Notes |
; We acknowledge F. Guinea, K. Mullen, A. H. Castro Neto, and E. Mucciolo for discussions. B. U. acknowledges the University of Oklahoma for financial support and NSF Grant No. DMR-1352604 for partial support. T.G.R. and J.H.G acknowledge Brazilian agencies CNPq, FAPERJ, and “INCT de nanoestruturas de carbono” for financial support. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| |
Call Number |
UA @ lucian @ c:irua:119258 |
Serial |
57 |
| Permanent link to this record |
| |
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| |
|
Author |
Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. |
| |
Title |
Adsorption and absorption of boron, nitrogen, aluminum, and phosphorus on silicene : stability and electronic and phonon properties |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
87 |
Issue |
8 |
Pages |
085444-85448 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of siliconsilicenewith B, N, Al, or P atoms. The structural, electronic, magnetic, and vibrational properties are reported. The most preferable adsorption sites are found to be valley, bridge, valley and hill sites for B, N, Al, and P adatoms, respectively. All the relaxed systems with adsorbed/substituted atoms exhibit metallic behavior with strongly bonded B, N, Al, and P atoms accompanied by an appreciable electron transfer from silicene to the B, N, and P adatom/substituent. The Al atoms exhibit opposite charge transfer, with n-type doping of silicene and weaker bonding. The adatoms/substituents induce characteristic branches in the phonon spectrum of silicene, which can be probed by Raman measurements. Using molecular dynamics, we found that the systems under study are stable up to at least T=500 K. Our results demonstrate that silicene has a very reactive and functionalizable surface. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000315482900007 |
Publication Date |
2013-02-27 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
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 |
169 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| |
Call Number |
UA @ lucian @ c:irua:107071 |
Serial |
60 |
| Permanent link to this record |
| |
|
| |
|
Author |
Sahin, H.; Peeters, F.M. |
| |
Title |
Adsorption of alkali, alkaline-earth, and 3d transition metal atoms on silicene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
87 |
Issue |
8 |
Pages |
085423-85429 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The adsorption characteristics of alkali, alkaline-earth, and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, work function, and dipole moment of the metal adsorbed silicene sheets. Alkali metals, Li, Na, and K, adsorb to hollow sites without any lattice distortion. As a consequence of the significant charge transfer from alkalis to silicene, metalization of silicene takes place. Trends directly related to atomic size, adsorption height, work function, and dipole moment of the silicene/alkali adatom system are also revealed. We found that the adsorption of alkaline-earth metals on silicene is entirely different from their adsorption on graphene. The adsorption of Be, Mg, and Ca turns silicene into a narrow gap semiconductor. Adsorption characteristics of eight transition metals Ti, V, Cr, Mn, Fe, Co, Mo, and W are also investigated. As a result of their partially occupied d orbital, transition metals show diverse structural, electronic, and magnetic properties. Upon the adsorption of transition metals, depending on the adatom type and atomic radius, the system can exhibit metal, half-metal, and semiconducting behavior. For all metal adsorbates, the direction of the charge transfer is from adsorbate to silicene, because of its high surface reactivity. Our results indicate that the reactive crystal structure of silicene provides a rich playground for functionalization at nanoscale. DOI: 10.1103/PhysRevB.87.085423 |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000315146500008 |
Publication Date |
2013-02-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
281 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:107663 |
Serial |
62 |
| Permanent link to this record |
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Author |
Huygh, S.; Neyts, E.C. |
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Title |
Adsorption of C and CHx radicals on anatase (001) and the influence of oxygen vacancies |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
119 |
Issue |
119 |
Pages |
4908-4921 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The adsorption of C and CHx radicals on anatase (001) was studied using DFT within the generalized gradient approximation using the Perde-Burke-Ernzerhof (PBE) functional. We have studied the influence of oxygen vacancies in and at the surface on the adsorption properties of the radicals. For the oxygen vacancies in anatase (001), the most stable vacancy is located at the surface. For this vacancy, the maximal adsorption strength of C and CH decreases compared to the adsorption on the stoichiometric surface, but it increases for CH2 and CH3. If an oxygen vacancy is present in the first subsurface layer, the maximal adsorption strength increases for C, CH, CH2, and CH3. When the vacancy is present in the next subsurface layer, we find that only the CH3 adsorption is enhanced, while the maximal adsorption energies for the other radical species decrease. Not only does the precise location of the oxygen vacancy determine the maximal adsorption interaction, it also influences the adsorption strengths of the radicals at different surface configurations. This determines the probability of finding a certain adsorption configuration at the surface, which in turn influences the possible surface reactions. We find that C preferentially adsorbs far away from the oxygen vacancy, while CH2 and CH3 adsorb preferentially at the oxygen vacancy site. A fraction of CH partially adsorbs at the oxygen vacancy, and another fraction adsorbs further away from the vacancy. |
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Corporate Author |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000350840700052 |
Publication Date |
2015-02-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
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Call Number |
c:irua:124909 |
Serial |
63 |
| Permanent link to this record |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
77 |
Issue |
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Pages |
125416,1-6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000254543000133 |
Publication Date |
2008-03-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
1392 |
Open Access |
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Notes |
This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. |
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
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Call Number |
UA @ lucian @ c:irua:69634 |
Serial |
67 |
| Permanent link to this record |
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Author |
Van Tendeloo, G.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V. |
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Title |
Advanced electron microscopy and its possibilities to solve complex structures: application to transition metal oxides |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
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Volume |
19 |
Issue |
18 |
Pages |
2660-2670 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Design and optimization of materials properties can only be performed through a thorough knowledge of the structure of the compound. In this feature article we illustrate the possibilities of advanced electron microscopy in materials science and solid state chemistry. The different techniques are briefly discussed and several examples are given where the structures of complex oxides, often with a modulated structure, have been solved using electron microscopy. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000265740600002 |
Publication Date |
2009-02-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0959-9428;1364-5501; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
9 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:77065 |
Serial |
68 |
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