| Records |
| Author |
Ciocarlan, R.-G.; Seftel, E.M.; Gavrila, R.; Suchea, M.; Batuk, M.; Mertens, M.; Hadermann, J.; Cool, P. |
Title  |
Spinel nanoparticles on stick-like Freudenbergite nanocomposites as effective smart-removal photocatalysts for the degradation of organic pollutants under visible light |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Alloys And Compounds |
Abbreviated Journal |
J Alloy Compd |
| Volume |
820 |
Issue |
|
Pages |
153403 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
| Abstract |
A series of mixed nanocomposite materials was synthetized, containing a Ferrite phase type Zn1-xNixFe2O4 and a Freudenbergite phase type Na2Fe2Ti6O16, where x = 0; 0.2; 0.4; 0.6; 0.8; 1. The choice for this combination is based on the good adsorption properties of Freudenbergite for dye molecules, and the small bandgap energy of Ferrite spinel, allowing activation of the catalysts under visible light irradiation. A two steps synthesis protocol was used to obtain the smart-removal nanocomposites. Firstly, the spinel structure was obtained via the co-precipitation route followed by the addition of the Ti-source and formation of the Freudenbergite system. The role of cations on the formation mechanism and an interesting interchange of cations between spinel and Freudenbergite structures was clarified by a TEM study. Part of the Ti4+ penetrated the spinel structure and, at the same time, part of the Fe3+ formed the Freudenbergite system. The photocatalytic activity was studied under visible light, reaching for the best catalysts a 67% and 40% mineralization degree for methylene blue and rhodamine 6G respectively, after 6 h of irradiation. In the same conditions, the well-known commercial P25 (Degussa) managed to mineralize only 12% and 3% of methylene blue and rhodamine 6G, respectively. Due to the remarkable magnetic properties of Ferrites, a convenient recovery and reuse of the catalysts is possible after the photocatalytic tests. Based on the excellent catalytic performance of the nanocomposites under visible light and their ease of separation out of the solution after the catalytic reaction, the newly developed composite catalysts are considered very effective for wastewater treatment. |
| 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 |
000507854700130 |
Publication Date |
2019-12-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0925-8388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.2 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
The authors acknowledge the FWO-Flanders (project nr. G038215N) for financial support. |
Approved |
Most recent IF: 6.2; 2020 IF: 3.133 |
| Call Number |
EMAT @ emat @c:irua:166447 |
Serial |
6342 |
| Permanent link to this record |
| |
|
| |
| Author |
Földi, P.; Molnár, B.; Benedict, M.G.; Peeters, F.M. |
| Title |
Spintronic single-qubit gate based on a quantum ring with spin-orbit interaction |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
71 |
Issue |
|
Pages |
033309,1-4 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000226735900014 |
Publication Date |
2005-01-12 |
| 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 |
126 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
| Call Number |
UA @ lucian @ c:irua:69402 |
Serial |
3105 |
| Permanent link to this record |
| |
|
| |
| Author |
Neek-Amal, M.; Beheshtian, J.; Shayeganfar, F.; Singh, S.K.; Los, J.H.; Peeters, F.M. |
| Title |
Spiral graphone and one-sided fluorographene nanoribbons |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
87 |
Issue |
7 |
Pages |
075448-8 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The instability of a free-standing one-sided hydrogenated/fluorinated graphene nanoribbon, i.e., graphone/fluorographene, is studied using ab initio, semiempirical, and large-scale molecular dynamics simulations. Free-standing semi-infinite armchairlike hydrogenated/fluorinated graphene (AC-GH/AC-GF) and boatlike hydrogenated/fluorinated graphene (B-GH/B-GF) (nanoribbons which are periodic along the zigzag direction) are unstable and spontaneously transform into spiral structures. We find that rolled, spiral B-GH and B-GF are energetically more favorable than spiral AC-GH and AC-GF which is opposite to the double-sided flat hydrogenated/fluorinated graphene, i.e., graphane/fluorographene. We found that the packed, spiral structures exhibit an unexpected localized highest occupied molecular orbital and lowest occupied molecular orbital at the edges with increasing energy gap during rolling. These rolled hydrocarbon structures are stable beyond room temperature up to at least T = 1000 K within our simulation time of 1 ns. DOI: 10.1103/PhysRevB.87.075448 |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000315481800005 |
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 |
14 |
Open Access |
|
| Notes |
; We thank A. Sadeghi, M. R. Ejtehadi, and J. Amini for their useful comments. This work is supported by the ESF EuroGRAPHENE project CONGRAN and the Flemish Science Foundation (FWO-Vl). M.N.-A. is supported by a EU-Marie Curie IIF fellowship program Grant No. 299855. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
| Call Number |
UA @ lucian @ c:irua:107654 |
Serial |
3106 |
| Permanent link to this record |
| |
|
| |
| Author |
Abakumov, A.M.; Tsirlin, A.A.; Perez-Mato, J.M.; Petřiček, V.; Rosner, H.; Yang, T.; Greenblatt, M. |
| Title |
Spiral ground state against ferroelectricity in the frustrated magnet BiMnFe2O6 |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
83 |
Issue |
21 |
Pages |
214402-214402,10 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The spiral magnetic structure and underlying spin lattice of BiMnFe2O6 are investigated by low-temperature neutron powder diffraction and density functional theory band structure calculations. In spite of the random distribution of the Mn3+ and Fe3+ cations, this centrosymmetric compound undergoes a transition into an incommensurate antiferromagnetically ordered state below TN≃220 K. The magnetic structure is characterized by the propagation vector k=[0,β,0] with β≃0.14 and the P221211′(0β0)0s0s magnetic superspace symmetry. It comprises antiferromagnetic helixes propagating along the b axis. The magnetic moments lie in the ac plane and rotate about π(1+β)≃204.8-deg angle between the adjacent magnetic atoms along b. The spiral magnetic structure arises from the peculiar frustrated arrangement of exchange couplings in the ab plane. The antiferromagnetic coupling along the c axis cancels the possible electric polarization and prevents ferroelectricity in BiMnFe2O6. |
| 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 |
000291197400001 |
Publication Date |
2011-06-03 |
| 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 |
12 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
| Call Number |
UA @ lucian @ c:irua:90080 |
Serial |
3107 |
| Permanent link to this record |
| |
|
| |
| Author |
Sa, J.; Hu, N.; Heyvaert, W.; Van Gordon, K.; Li, H.; Wang, L.; Bals, S.; Liz-Marzán, L.M.; Ni, W. |
| Title |
Spontaneous Chirality Evolved at the Au–Ag Interface in Plasmonic Nanorods |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem. Mater. |
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Chiral ligands are considered a required ingredient during the synthesis of dissymmetric plasmonic metal nanocrystals. The mechanism behind the generation of chiral structures involves the formation of high Miller index chiral facets, induced by the adsorption of such chiral ligands. We found however that, chirality can also evolve spontaneously, without the involvement of any chiral ligands, during the co-deposition of Au and Ag on Au nanorods. When using a specific Au/Ag ratio, phase segregation of the two metals leads to an interface within the obtained AuAg shell, which can be exposed by removing the Ag component via oxidative etching. Although a close-to-racemic mixture of chiral Au nanorods with right and left handedness is found in solution, electron tomography analysis evidences left- and righthanded helicities, both at the Au-Ag interface and at the exposed surface of Au NRs after Ag etching. The helicity profile of the NRs indicates dominating inclination angles in a range from 30° to 60°. Single-particle optical characterization also reveals random handedness in the plasmonic response of individual nanorods. We hypothesize that, the origin of chirality is related with symmetry breaking during the co-deposition of Au and Ag, through an initial perturbation in a small region on the Au-Ag interface that eventually leads to chiral segregation throughout the nanocrystal. |
| 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 |
001052093300001 |
Publication Date |
2023-08-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
8.6 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
The authors acknowledge the financial support from the National Natural Science Foundation of China (grant 22074102). LMLM acknowledges funding from 26 MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future” (Grant PID2020- 117779RB-I00). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3.; Ministerio de Ciencia e Innovaci?n, PID2020-117779RB-I00 ; H2020 Research Infrastructures, 823717 ; European Social Fund, PID2020-117779RB-I00 ; National Natural Science Foundation of China, 22074102 ; |
Approved |
Most recent IF: 8.6; 2023 IF: 9.466 |
| Call Number |
EMAT @ emat @c:irua:198151 |
Serial |
8810 |
| Permanent link to this record |
| |
|
| |
| Author |
Yasui, Y.; Lahabi, K.; Fernández Becerra, V.; Fermin, R.; Anwar, M.S.; Yonezawa, S.; Terashima, T.; Milošević, M.V.; Aarts, J.; Maeno, Y. |
| Title |
Spontaneous emergence of Josephson junctions in homogeneous rings of single-crystal Sr₂RuO₄ |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
npj Quantum Materials |
Abbreviated Journal |
|
| Volume |
5 |
Issue |
1 |
Pages |
21-28 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The chiral p-wave order parameter in Sr2RuO4 would make it a special case amongst the unconventional superconductors. A consequence of this symmetry is the possible existence of superconducting domains of opposite chirality. At the boundary of such domains, the locally suppressed condensate can produce an intrinsic Josephson junction. Here, we provide evidence of such junctions using mesoscopic rings, structured from Sr2RuO4 single crystals. Our order parameter simulations predict such rings to host stable domain walls across their arms. This is verified with transport experiments on loops, with a sharp transition at 1.5 K, which show distinct critical current oscillations with periodicity corresponding to the flux quantum. In contrast, loops with broadened transitions at around 3 K are void of such junctions and show standard Little-Parks oscillations. Our analysis demonstrates the junctions are of intrinsic origin and makes a compelling case for the existence of superconducting domains. |
| 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 |
|
| Language |
|
Wos |
000525721000001 |
Publication Date |
2020-04-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2397-4648 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
10 |
Open Access |
|
| Notes |
; The authors would like to thank S. Goswami, A. Singh, M. Kupryianov, S. Bakurskiy, J. Jobst, T. Nakamura, K. Adachi, Y. Liu, and Y. Asano for valuable discussions and comments, and F. Hubler, Y. Nakamura, and Y. Yamaoka for their technical contribution. This work was supported by a Grant-in-Aid for Scientific Research on Innovative Areas “Topological Materials Science” (KAKENHI Grant Nos. JP15H05852, JP15K21717, JP15H05851), JSPS-EPSRC Core-to-Core program (A. Advanced Research Network), JSPS research fellow (KAKENHI Grant No. JP16J10404), Grant-in-Aid JSPS KAKENHI JP26287078 and JP17H04848, and the Netherlands Organisation for Scientific Research (NWO/OCW), as part of the Frontiers of Nanoscience program. V.F.B. acknowledges support from the Foundation for Polish Science through the IRA Programme co-financed by EU within SG OP. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:168553 |
Serial |
6613 |
| Permanent link to this record |
| |
|
| |
| Author |
Tong, Y.; Yao, E.-P.; Manzi, A.; Bladt, E.; Wang, K.; Doeblinger, M.; Bals, S.; Mueller-Buschbaum, P.; Urban, A.S.; Polavarapu, L.; Feldmann, J. |
| Title |
Spontaneous self-assembly of Perovskite nanocrystals into electronically coupled supercrystals : toward filling the green gap |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
| Volume |
30 |
Issue |
30 |
Pages |
1801117 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Self-assembly of nanoscale building blocks into ordered nanoarchitectures has emerged as a simple and powerful approach for tailoring the nanoscale properties and the opportunities of using these properties for the development of novel optoelectronic nanodevices. Here, the one-pot synthesis of CsPbBr3 perovskite supercrystals (SCs) in a colloidal dispersion by ultrasonication is reported. The growth of the SCs occurs through the spontaneous self-assembly of individual nanocrystals (NCs), which form in highly concentrated solutions of precursor powders. The SCs retain the high photoluminescence (PL) efficiency of their NC subunits, however also exhibit a redshifted emission wavelength compared to that of the individual nanocubes due to interparticle electronic coupling. This redshift makes the SCs pure green emitters with PL maxima at approximate to 530-535 nm, while the individual nanocubes emit a cyan-green color (approximate to 512 nm). The SCs can be used as an emissive layer in the fabrication of pure green light-emitting devices on rigid or flexible substrates. Moreover, the PL emission color is tunable across the visible range by employing a well-established halide ion exchange reaction on the obtained CsPbBr3 SCs. These results highlight the promise of perovskite SCs for light emitting applications, while providing insight into their collective optical properties. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000438709400019 |
Publication Date |
2018-06-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
19.791 |
Times cited |
161 |
Open Access |
OpenAccess |
| Notes |
; This research work was supported by the Bavarian State Ministry of Science, Research, and Arts through the grant “Solar Technologies go Hybrid (SolTech),” by the China Scholarship Council (Y.T. and K.W.), by the European Union's Horizon 2020 research and innovation program under the Marie Skodowska-Curie Grant Agreement COMPASS No. 691185 and by LMU Munich's Institutional Strategy LMUexcellent within the framework of the German Excellence Initiative (L.P., J.F. and A.S.U.). E.B. and S.B. acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors would like to thank Alexander Richter for helpful discussions. ; ecas_Sara |
Approved |
Most recent IF: 19.791 |
| Call Number |
UA @ lucian @ c:irua:152413UA @ admin @ c:irua:152413 |
Serial |
5129 |
| Permanent link to this record |
| |
|
| |
| Author |
Curran, P.J.; Desoky, W.M.; Milošević, M.V.; Chaves, A.; Laloe, J.-B.; Moodera, J.S.; Bending, S.J. |
| Title |
Spontaneous symmetry breaking in vortex systems with two repulsive lengthscales |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
| Volume |
5 |
Issue |
5 |
Pages |
15569 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Scanning Hall probe microscopy (SHPM) has been used to study vortex structures in thin epitaxial films of the superconductor MgB2. Unusual vortex patterns observed in MgB2 single crystals have previously been attributed to a competition between short-range repulsive and long-range attractive vortex-vortex interactions in this two band superconductor; the type 1.5 superconductivity scenario. Our films have much higher levels of disorder than bulk single crystals and therefore both superconducting condensates are expected to be pushed deep into the type 2 regime with purely repulsive vortex interactions. We observe broken symmetry vortex patterns at low fields in all samples after field-cooling from above T-c. These are consistent with those seen in systems with competing repulsions on disparate length scales, and remarkably similar structures are reproduced in dirty two band Ginzburg-Landau calculations, where the simulation parameters have been defined by experimental observations. This suggests that in our dirty MgB2 films, the symmetry of the vortex structures is broken by the presence of vortex repulsions with two different lengthscales, originating from the two distinct superconducting condensates. This represents an entirely new mechanism for spontaneous symmetry breaking in systems of superconducting vortices, with important implications for pinning phenomena and high current density applications. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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| Language |
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Wos |
000363306000002 |
Publication Date |
2015-10-23 |
| Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.259 |
Times cited |
12 |
Open Access |
|
| Notes |
; P.J.C. and S.J.B. acknowledge support from EPSRC in the UK under grant number EP/J010626/1 and the NanoSC COST Action MP-1201. M.V.M. thanks the Research Foundation-Flanders (FWO) and CAPES Brazil. A.C. acknowledges the financial support of CNPq, under the PRONEX/FUNCAP and PQ programs. J.-B.L. and J.S.M. acknowledge ONR Grant N00014-06-01-0235. ; |
Approved |
Most recent IF: 4.259; 2015 IF: 5.578 |
| Call Number |
UA @ lucian @ c:irua:129450 |
Serial |
4248 |
| Permanent link to this record |
| |
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| |
| Author |
Xing, Y.T.; Micklitz, H.; Rappoport, T.G.; Milošević, M.V.; Solorzano-Naranjo, I.G.; Baggio-Saitovitch, E. |
| Title |
Spontaneous vortex phases in superconductor-ferromagnet Pb-Co nanocomposite films |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
| Volume |
78 |
Issue |
22 |
Pages |
224524,1-224524,5 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We report measurements which indicate the appearance of spontaneous vortices in lead superconducting films with embedded magnetic nanoparticles and a temperature-induced phase transition between different vortex phases. Unlike common vortices in superconductors, the vortex phase appears in the absence of applied magnetic field. The vortices nucleate exclusively due to the stray field of the magnetic nanoparticles, which serve the dual role of providing the internal field and simultaneously acting as pinning centers. Transport measurements reveal dynamical phase transitions that depend on temperature (T) and applied field (H) and support the obtained H-T phase diagram. |
| 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 |
000262245200092 |
Publication Date |
2008-12-30 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
| Call Number |
UA @ lucian @ c:irua:76005 |
Serial |
3109 |
| Permanent link to this record |
| |
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| |
| Author |
Åmit, Å.; Janssens, K.; Schalm, O.; Kos, M. |
| Title |
Spread of façon-de-Venise glassmaking through central and western Europe |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Nuclear instruments and methods in physics research B |
Abbreviated Journal |
|
| Volume |
213 |
Issue |
|
Pages |
717-722 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000187020700143 |
Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
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| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:45376 |
Serial |
5843 |
| Permanent link to this record |
| |
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| |
| Author |
Yusupov, M.; Saraiva, M.; Depla, D.; Bogaerts, A. |
| Title |
Sputter deposition of MgxAlyOz thin films in a dual-magnetron device : a multi-species Monte Carlo model |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
| Volume |
14 |
Issue |
7 |
Pages |
073043 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
A multi-species Monte Carlo (MC) model, combined with an analytical surface model, has been developed in order to investigate the general plasma processes occurring during the sputter deposition of complex oxide films in a dual-magnetron sputter deposition system. The important plasma species, such as electrons, Ar+ ions, fast Ar atoms and sputtered metal atoms (i.e. Mg and Al atoms) are described with the so-called multi-species MC model, whereas the deposition of MgxAlyOz films is treated by an analytical surface model. Targetsubstrate distances for both magnetrons in the dual-magnetron setup are varied for the purpose of growing stoichiometric complex oxide thin films. The metal atoms are sputtered from pure metallic targets, whereas the oxygen flux is only directed toward the substrate and is high enough to obtain fully oxidized thin films but low enough to avoid target poisoning. The calculations correspond to typical experimental conditions applied to grow these complex oxide films. In this paper, some calculation results are shown, such as the densities of various plasma species, their fluxes toward the targets and substrate, the deposition rates, as well as the film stoichiometry. Moreover, some results of the combined model are compared with experimental observations. Note that this is the first complete model, which can be applied for large and complicated magnetron reactor geometries, such as dual-magnetron configurations. With this model, we are able to describe all important plasma species as well as the deposition process. It can also be used to predict film stoichiometries of complex oxide films on the substrate. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Bristol |
Editor |
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| Language |
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Wos |
000307072500003 |
Publication Date |
2012-07-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.786 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
| Call Number |
UA @ lucian @ c:irua:100100 |
Serial |
3111 |
| Permanent link to this record |
| |
|
| |
| Author |
Georgieva, V.; Saraiva, M.; Jehanathan, N.; Lebelev, O.I.; Depla, D.; Bogaerts, A. |
| Title |
Sputter-deposited Mg-Al-O thin films: linking molecular dynamics simulations to experiments |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
42 |
Issue |
6 |
Pages |
065107,1-065107,8 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Using a molecular dynamics model the crystallinity of MgxAlyOz thin films with a variation in the stoichiometry of the thin film is studied at operating conditions similar to the experimental operating conditions of a dual magnetron sputter deposition system. The films are deposited on a crystalline or amorphous substrate. The Mg metal content in the film ranged from 100% (i.e. MgO film) to 0% (i.e. Al2O3 film). The radial distribution function and density of the films are calculated. The results are compared with x-ray diffraction and transmission electron microscopy analyses of experimentally deposited thin films by the dual magnetron reactive sputtering process. Both simulation and experimental results show that the structure of the MgAlO film varies from crystalline to amorphous when the Mg concentration decreases. It seems that the crystalline MgAlO films have a MgO structure with Al atoms in between. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000263824200024 |
Publication Date |
2009-03-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
37 |
Open Access |
|
| Notes |
Iwt |
Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
| Call Number |
UA @ lucian @ c:irua:73246 |
Serial |
3110 |
| Permanent link to this record |
| |
|
| |
| Author |
Elmonov, A.A.; Yusupov, M.S.; Dzhurakhalov, A.A.; Bogaerts, A. |
| Title |
Sputtering of Si(001) and SiC(001) by grazing ion bombardment |
Type |
P1 Proceeding |
| Year |
2008 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
209-213 |
| Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The peculiarities of sputtering processes at 0.5-5 keV Ne grazing ion bombardment of Si(001) and SiC(001) surfaces and their possible application for the surface modification have been studied by computer simulation. Sputtering yields in the primary knock-on recoil atoms regime versus the initial energy of incident ions (E(0) = 0.5-5 keV) and angle of incidence (psi = 0-30 degrees) counted from a target surface have been calculated. Comparative studies of layer-by-layer sputtering for Si(001) and SiC(001) surfaces versus the initial energy of incident ions as well as an effective sputtering and sputtering threshold are discussed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
84 |
Edition |
|
| ISSN |
978-86-80019-27-7 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:95704 |
Serial |
3112 |
| Permanent link to this record |
| |
|
| |
| Author |
Ben Dkhil, S.; Pfannmöller, M.; Bals, S.; Koganezawa, T.; Yoshimoto, N.; Hannani, D.; Gaceur, M.; Videlot-Ackermann, C.; Margeat, O.; Ackermann, J. |
| Title |
Square-centimeter-sized high-efficiency polymer solar cells : how the processing atmosphere and film quality influence performance at large scale |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Laser physics review |
Abbreviated Journal |
Adv Energy Mater |
| Volume |
6 |
Issue |
6 |
Pages |
1600290 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Organic solar cells based on two benzodithiophene-based polymers (PTB7 and PTB7-Th) processed at square centimeter-size under inert atmosphere and ambient air, respectively, are investigated. It is demonstrated that the performance of solar cells processed under inert atmosphere is not limited by the upscaling of photoactive layer and the interfacial layers. Thorough morphological and electrical characterizations of optimized layers and corresponding devices reveal that performance losses due to area enlargement are only caused by the sheet resistance of the transparent electrode reducing the effi ciency from 9.3% of 7.8% for PTB7-Th in the condition that both photoactive layer and the interfacial layers are of high layer quality. Air processing of photoactive layer and the interfacial layers into centimeter-sized solar cells lead to additional, but only slight, losses (< 10%) in all photovoltaic parameters, which can be addressed to changes in the electronic properties of both active layer and ZnO layers rather than changes in layer morphology. The demonstrated compatibility of polymer solar cells using solution-processed photoactive layer and interfacial layers with large area indicates that the introduction of a standard active area of 1 cm(2) for measuring effi ciency of organic record solar cells is feasible. However electric standards for indium tin oxides (ITO) or alternative transparent electrodes need to be developed so that performance of new photovoltaic materials can be compared at square centimeter-size. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Place of publication unknown |
Editor |
|
| Language |
|
Wos |
000379314700010 |
Publication Date |
2016-05-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1614-6832 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
16.721 |
Times cited |
6 |
Open Access |
Not_Open_Access |
| Notes |
; The authors acknowledge financial support by the French Fond Unique Intermisteriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/ 201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7-contract no. 287594). Generalitat Valenciana (ISIC/2012/008 Institute of Nanotechnologies for Clean Energies) is also acknowledged for providing financial support. The synchrotron radiation experiments were performed at BL46XU and BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal Nos. 2014B1916 and 2015A1984). The authors further acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; |
Approved |
Most recent IF: 16.721 |
| Call Number |
UA @ lucian @ c:irua:134951 |
Serial |
4249 |
| Permanent link to this record |
| |
|
| |
| Author |
Molnar, B.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Square-wave conductance through a chain of rings due to spin-orbit interaction |
Type |
P1 Proceeding |
| Year |
2005 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
| Volume |
772 |
Issue |
|
Pages |
1335-1336 |
| Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
| Abstract |
We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction (SOI) of strength alpha. The transmission and reflection coefficients for a single ring, obtained analytical lylead to the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. Due to destructive spin interferences the chain can be totaly opaque for certain ranges of k the width of which depends on the value of alpha. A periodic modulation of a widens up the gaps considerably and produces a nearly binary conductance output. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0094-243x |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:94771 |
Serial |
3113 |
| Permanent link to this record |
| |
|
| |
| Author |
Salbu, B.; Janssens, K.; Lind, O.C.; Simionovici, A.S.; Trekling, T.; Drakopoulos, M.; Snigireva, I.; Snigirev, A. |
| Title |
SR-based X-ray microbeam techniques utilised for solid-state speciation of U in fuel particles |
Type |
P3 Proceeding |
| Year |
2002 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| 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 @ admin @ c:irua:39943 |
Serial |
5844 |
| Permanent link to this record |
| |
|
| |
| Author |
Malo, S.; Abakumov, A.M.; Daturi, M.; Pelloquin, D.; Van Tendeloo, G.; Guesdon, A.; Hervieu, M. |
| Title |
Sr21Bi8Cu2(CO3)(2)O-41, a Bi5+ Oxycarbonate with an Original 10L Structure |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
53 |
Issue |
19 |
Pages |
10266-10275 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The layered structure of Sr21Bi8Cu2(CO3)(2)O-41 (Z = 2) was determined by transmission electron microscopy, infrared spectroscopy, and powder X-ray diffraction refinement in space group P6(3)/mcm (No. 194), with a = 10.0966(3)angstrom and c = 26.3762(5)angstrom. This original 10L-type structure is built from two structural blocks, namely, [Sr15Bi6Cu2(CO3)O-29] and [Sr6Bi2(CO3)O-12]. The Bi5+ cations form [Bi2O10] dimers, whereas the Cu2+ and C atoms occupy infinite tunnels running along (c) over right arrow. The nature of the different blocks and layers is discussed with regard to the existing hexagonal layered compounds. Sr21Bi8Cu2(CO3)(2)O-41 is insulating and paramagnetic. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
| Language |
|
Wos |
000342856800039 |
Publication Date |
2014-10-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
4.857 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.857; 2014 IF: 4.762 |
| Call Number |
UA @ lucian @ c:irua:121115 |
Serial |
3114 |
| Permanent link to this record |
| |
|
| |
| Author |
Gillie, L.J.; Hadermann, J.; Pérez, O.; Martin, C.; Hervieu, M.; Suard, E. |
| Title |
SrMn3O6: an incommensurate modulated tunnel structure |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
177 |
Issue |
|
Pages |
3383-3391 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000224465500020 |
Publication Date |
2004-07-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
19 |
Open Access |
|
| Notes |
Scootmo: Hrpn-Ct-2002-00293; Super-Gmr: Hprn-Ct-2002-0021 |
Approved |
Most recent IF: 2.299; 2004 IF: 1.815 |
| Call Number |
UA @ lucian @ c:irua:49463 |
Serial |
3562 |
| Permanent link to this record |
| |
|
| |
| Author |
Whaley, L.W.; Lobanov, M.V.; Sheptyakov, D.; Croft, M.; Ramanujachary, K.V.; Lofland, S.; Stephens, P.W.; Her, J.H.; Van Tendeloo, G.; Rossell, M.; Greenblatt, M.; |
| Title |
Sr3Fe5/4Mo3/4O6.9, an n = 2 Ruddlesden-Popper phase: synthesis and properties |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
18 |
Issue |
15 |
Pages |
3448-3457 |
| 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 |
000239085900010 |
Publication Date |
2006-06-22 |
| 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 |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2006 IF: 5.104 |
| Call Number |
UA @ lucian @ c:irua:60579 |
Serial |
3560 |
| Permanent link to this record |
| |
|
| |
| Author |
Shanenko, A.A.; Smondyrev, M.A.; Devreese, J.T. |
| Title |
Stabilisation of bipolarons by polaron environment |
Type |
A1 Journal article |
| Year |
1996 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| Volume |
98 |
Issue |
|
Pages |
1091 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1996UT02900012 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.897 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
| Call Number |
UA @ lucian @ c:irua:16186 |
Serial |
3115 |
| Permanent link to this record |
| |
|
| |
| Author |
Michel, A.; Pierron-Bohnes, V.; Jay, J.P.; Panissod, P.; Lefebvre, S.; Bessière, M.; Fischer, H.E.; Van Tendeloo, G. |
| Title |
Stabilisation of fcc cobalt layers by 0.4 nm thick manganese layers in Co/Mn superlattices |
Type |
A1 Journal article |
| Year |
2001 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
| Volume |
19 |
Issue |
2 |
Pages |
225-239 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000167425800008 |
Publication Date |
2003-05-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1434-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.461 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.461; 2001 IF: 1.811 |
| Call Number |
UA @ lucian @ c:irua:54779 |
Serial |
3116 |
| Permanent link to this record |
| |
|
| |
| Author |
Chin, C.-M.; Battle, P.D.; Hunter, E.C.; Avdeev, M.; Hendrickx, M.; Hadermann, J. |
| Title |
Stabilisation of magnetic ordering in La3Ni2-xCuxB'O9(B'=Sb,Ta,Nb) by the introduction of Cu2+ |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
276 |
Issue |
276 |
Pages |
164-172 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
La3Ni2-xCuxB'O-9 (x = 0.25; B' = Sb, Ta, Nb: x = 0.5; B' = Nb) have been synthesized and characterised by transmission electron microscopy, neutron diffraction and magnetometry. Each adopts a perovskite-like structure (space group P2(1)/n) with two crystallographically-distinct six-coordinate sites, one occupied by a disordered arrangement of Ni2+ and Cu2+ and the other by a disordered similar to 1:2 distribution of Ni2+ and B'(5+), although some Cu2+ is found on the latter site when x = 0.5. Each composition undergoes a magnetic transition in the range 90 <= T/K <= 130 and shows a spontaneous magnetisation at 5 K; the transition temperature always exceeds that of the x = 0 composition by >= 30 K. A long-range ordered G-type ferrimagnetic structure is present in each composition, but small relaxor domains are also present. This contrasts with the pure relaxor and spin-glass behaviour of x = 0, B' = Ta, Nb, respectively. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000473372400023 |
Publication Date |
2019-05-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.299 |
Times cited |
2 |
Open Access |
|
| Notes |
; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and the University of Oxford for the award of a graduate scholarship. ; |
Approved |
Most recent IF: 2.299 |
| Call Number |
UA @ admin @ c:irua:161199 |
Serial |
5396 |
| Permanent link to this record |
| |
|
| |
| Author |
Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. |
| Title |
Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
85 |
Issue |
5 |
Pages |
054116-054116,7 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000300931900004 |
Publication Date |
2012-02-29 |
| 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 |
18 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
| Call Number |
UA @ lucian @ c:irua:97201 |
Serial |
3117 |
| Permanent link to this record |
| |
|
| |
| Author |
Goldoni, G.; Schweigert, V.; Peeters, F.M. |
| Title |
Stability and dynamical properties of a double-layer Wigner crystal in two dimensions |
Type |
A1 Journal article |
| Year |
1996 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
| Volume |
361/362 |
Issue |
|
Pages |
163-166 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1996UZ03300041 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0039-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.925 |
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
| Call Number |
UA @ lucian @ c:irua:15814 |
Serial |
3118 |
| Permanent link to this record |
| |
|
| |
| Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
| Title |
Stability and structures of the CFCC-TmC phases : a first-principles study |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
| Volume |
51 |
Issue |
1 |
Pages |
146-150 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed. |
| 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 |
000296214300020 |
Publication Date |
2011-08-29 |
| 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 |
0927-0256; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.292 |
Times cited |
18 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.292; 2012 IF: 1.878 |
| Call Number |
UA @ lucian @ c:irua:93277 |
Serial |
3119 |
| Permanent link to this record |
| |
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| |
| Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
| Title |
Stability and structures of the \epsilon-phases of iron nitrides and iron carbides from first principles |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
| Volume |
64 |
Issue |
3 |
Pages |
296-299 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
First-principles calculations were performed for the ε-phases and other iron carbides/nitrides with hexagonal close-packed Fe sublattices. Although these nitrides/carbides have similar crystal structures, they exhibit different chemical and physical properties. Relative to α-Fe, graphite and N2, all the ε-type nitrides are stable, while all the carbides are metastable. The lattice parameters of the ε-iron nitrides vary differently from those of the ε-carbides, as a function of the concentration of X (Xdouble bond; length as m-dashN, C). The structural relationships of ε-Fe2X with η-Fe2X and ζ-Fe2X are discussed. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
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| Language |
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Wos |
000285323300022 |
Publication Date |
2010-09-02 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.747 |
Times cited |
29 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.747; 2011 IF: 2.699 |
| Call Number |
UA @ lucian @ c:irua:86974 |
Serial |
3120 |
| Permanent link to this record |
| |
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| |
| Author |
Berdiyorov, G.R.; Baelus, B.J.; Milošević, M.V.; Peeters, F.M. |
| Title |
Stability and transition between vortex configurations in square mesoscopic samples with antidots |
Type |
A1 Journal article |
| Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
68 |
Issue |
|
Pages |
174521,1-19 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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| Language |
|
Wos |
000186971600089 |
Publication Date |
2003-11-18 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
| ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
51 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
| Call Number |
UA @ lucian @ c:irua:44984 |
Serial |
3121 |
| Permanent link to this record |
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| |
| Author |
Smondyrev, M.A.; Shanenko, A.A.; Devreese, J.T. |
| Title |
Stability criterion for large bipolarons in a polaron-gas background |
Type |
A1 Journal article |
| Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
63 |
Issue |
|
Pages |
024302,1-4 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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| Language |
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Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
| Call Number |
UA @ lucian @ c:irua:34310 |
Serial |
3122 |
| Permanent link to this record |
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| |
| Author |
Chaney, G.; Cakir, D.; Peeters, F.M.; Ataca, C. |
| Title |
Stability of adsorption of Mg and Na on sulfur-functionalized MXenes |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
23 |
Issue |
44 |
Pages |
25424-25433 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional materials composed of transition metal carbides and nitrides (MXenes) are poised to revolutionize energy conversion and storage. In this work, we used density functional theory (DFT) to investigate the adsorption of Mg and Na adatoms on five M2CS2 monolayers (where M = Mo, Nb, Ti, V, and Zr) for battery applications. We assessed the stability of the adatom (i.e. Na and Mg)-monolayer systems by calculating adsorption and formation energies, as well as voltages as a function of surface coverage. For instance, we found that Mo2CS2 cannot support a full layer of Na nor even a single Mg atom. Na and Mg exhibit the strongest binding on Zr2CS2, followed by Ti2CS2, Nb2CS2 and V2CS2. Using the nudged elastic band method (NEB), we computed promising diffusion barriers for both dilute and nearly full ion surface coverage cases. In the dilute ion adsorption case, a single Mg and Na atom on Ti2CS2 experience similar to 0.47 eV and similar to 0.10 eV diffusion barriers between the lowest energy sites, respectively. For a nearly full surface coverage, a Na ion moving on Ti2CS2 experiences a similar to 0.33 eV energy barrier, implying a concentration-dependent diffusion barrier. Our molecular dynamics results indicate that the three (one) layers (layer) of the Mg (Na) ion on both surfaces of Ti2CS2 remain stable at T = 300 K. While, according to voltage calculations, Zr2CS2 can store Na up to three atomic layers, our MD simulations predict that the outermost layers detach from the Zr2CS2 monolayer due to the weak interaction between Na ions and the monolayer. This suggests that MD simulations are essential to confirm the stability of an ion-electrode system – an insight that is mostly absent in previous studies. |
| 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 |
000716024400001 |
Publication Date |
2021-10-22 |
| 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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
7 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:184075 |
Serial |
7020 |
| Permanent link to this record |
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| Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.; van Duin, A.T. |
| Title |
Stability of CH3 molecules trapped on hydrogenated sites of graphene |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| Volume |
455 |
Issue |
|
Pages |
60-65 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We study the effect of a hydrogen atom on the thermal stability of a trapped CH3 molecule on graphene using ReaxFF molecular dynamics simulations. Due to the hydrogen-molecule interaction, enhanced pinning of the CH3 molecule is observed when it is positioned adjacent to the graphene site with the hydrogen atom. We discuss the formation process of such a stable configuration, which originates from different adhesion and migration energies of the hydrogen atom and the CH3 molecule. We also studied the effect of the CH3-H configuration on the electronic transport properties of graphene nanoribbons using first principles density-functional calculations. We found that the formation of the CH3-H structure results in extra features in the transmission spectrum due to the formation of strongly localized states, which are absent when the CH3 molecule is trapped on pristine graphene. Our findings will be useful in exploiting gas sensing properties of graphene, especially for selective detection of individual molecules. (C) 2014 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| Language |
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Wos |
000344239200016 |
Publication Date |
2014-07-30 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.386 |
Times cited |
5 |
Open Access |
|
| Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-VI). A. van Duin acknowledges funding from the Air Force Office of Scientific Research (AFOSR) under Grant no. FA9550-10-1-0563 G. R. Berdiyorov acknowledges support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR projects. ; |
Approved |
Most recent IF: 1.386; 2014 IF: 1.319 |
| Call Number |
UA @ lucian @ c:irua:121193 |
Serial |
3124 |
| Permanent link to this record |
