Records |
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chaves, A.; Mayers, M.Z.; Peeters, F.M.; Reichman, D.R. |
Title |
Theoretical investigation of electron-hole complexes in anisotropic two-dimensional materials |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
93 |
Issue |
93 |
Pages |
115314 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Trions and biexcitons in anisotropic two-dimensional materials are investigated within an effective mass theory. Explicit results are obtained for phosphorene and arsenene, materials that share features such as a direct quasiparticle gap and anisotropic conduction and valence bands. Trions are predicted to have remarkably high binding energies and an elongated electron-hole structure with a preference for alignment along the armchair direction, where the effective masses are lower. We find that biexciton binding energies are also notably large, especially for monolayer phosphorene, where they are found to be twice as large as those for typical monolayer transition metal dichalcogenides. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000372715700001 |
Publication Date |
2016-03-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
33 |
Open Access |
|
Notes |
; This work has been financially supported by CNPq, through the PRONEX/FUNCAP and Science Without Borders programs, the FWO-CNPq bilateral program between Brazil and Flanders, and the Lemann Foundation. M.Z.M. is supported by a fellowship from the National Science Foundation, under Grant No. DGE-11-44155. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:133191 |
Serial |
4262 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chaves, A.; Low, T.; Avouris, P.; Çakir, D.; Peeters, F.M. |
Title |
Anisotropic exciton Stark shift in black phosphorus |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
155311 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We calculate the excitonic spectrum of few-layer black phosphorus by direct diagonalization of the effective mass Hamiltonian in the presence of an applied in-plane electric field. The strong attractive interaction between electrons and holes in this system allows one to investigate the Stark effect up to very high ionizing fields, including also the excited states. Our results show that the band anisotropy in black phosphorus becomes evident in the direction-dependent field-induced polarizability of the exciton. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000353459200005 |
Publication Date |
2015-04-27 |
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 |
88 |
Open Access |
|
Notes |
; Discussions with J. M. Pereira Jr. and J. S. de Souza are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq) through the PQ and Science Without Borders programs, the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, and the Bilateral program (CNPq-FWO) between Flanders and Brazil. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132506 |
Serial |
4141 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chaves, A.; Komendová, L.; Milošević, M.V.; Andrade, J.S.; Farias, G.A.; Peeters, F.M. |
Title |
Conditions for nonmonotonic vortex interaction in two-band superconductors |
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 |
214523-214523,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We describe a semianalytic approach to the two-band Ginzburg-Landau theory, which predicts the behavior of vortices in two-band superconductors. We show that the character of the short-range vortex-vortex interaction is determined by the sign of the normal domain-superconductor interface energy, in analogy with the conventional differentiation between type I and type II superconductors. However, we also show that the long-range interaction is determined by a modified Ginzburg-Landau parameter κ*, different from the standard κ of a bulk superconductor. This opens the possibility for nonmonotonic vortex-vortex interaction, which is temperature dependent, and can be further tuned by alterations of the material on the microscopic scale. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000292252300009 |
Publication Date |
2011-06-30 |
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 |
46 |
Open Access |
|
Notes |
; Discussions with A. Moreira, A. Shanenko, R. Prozorov, and A. Golubov are gratefully acknowledged. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the bilateral project FWO-CNPq, CAPES, and PRONEX/CNPq/FUNCAP. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:90922 |
Serial |
477 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chaves, A.; Farias, G.A.; Peeters, F.M.; Szafran, B. |
Title |
Wave packet dynamics in semiconductor quantum rings of finite width |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
Volume |
80 |
Issue |
12 |
Pages |
125331,1-125331,14 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The time evolution of a wave packet injected into a semiconductor quantum ring is investigated in order to obtain the transmission and reflection probabilities. Within the effective-mass approximation, the time-dependent Schrödinger equation is solved for a system with nonzero width of the ring and leads and finite potential-barrier heights, where we include smooth lead-ring connections. In the absence of a magnetic field, an analysis of the projection of the wave function over the different subband states shows that when the injected wave packet is within a single subband, the junction can scatter this wave packet into different subbands but remarkably at the second junction the wave packet is scattered back into the subband state of the incoming wave packet. If a magnetic field is applied perpendicularly to the ring plane, transmission and reflection probabilities exhibit Aharonov-Bohm (AB) oscillations and the outgoing electrons may end up in different subband states from those of the incoming electrons. Localized impurities, placed in the ring arms, influence the AB oscillation period and amplitude. For a single impurity or potential barrier of sufficiently strong strength, the period of the AB oscillations is halved while for two impurities localized in diametrically opposite points of the ring, the original AB period is recovered. A theoretical investigation of the confined states and time evolution of wave packets in T wires is also made, where a comparison between this system and the lead-ring junction is drawn. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000270383300098 |
Publication Date |
2009-09-25 |
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 |
40 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
Call Number |
UA @ lucian @ c:irua:79231 |
Serial |
3906 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R. |
Title |
The Split-operator technique for the study of spinorial wavepacket dynamics |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Communications in computational physics |
Abbreviated Journal |
Commun Comput Phys |
Volume |
17 |
Issue |
17 |
Pages |
850-866 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000353695400010 |
Publication Date |
2015-03-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1815-2406;1991-7120; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.004 |
Times cited |
24 |
Open Access |
|
Notes |
; The authors gratefully acknowledge fruitful discussions with J. M. Pereira Jr. and R. N. Costa Filho. This work was financially supported by CNPq through the INCT-NanoBioSimes and the Science Without Borders programs (contract 402955/ 2012-9), PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 2.004; 2015 IF: 1.943 |
Call Number |
c:irua:126028 |
Serial |
3593 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chaves, A.; Covaci, L.; Rakhimov, K.Y.; Farias, G.A.; Peeters, F.M. |
Title |
Wave-packet dynamics and valley filter in strained graphene |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
20 |
Pages |
205430 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The time evolution of a wave packet in strained graphene is studied within the tight-binding model and continuum model. The effect of an external magnetic field, as well as a strain-induced pseudomagnetic field, on the wave-packet trajectories and zitterbewegung are analyzed. Combining the effects of strain with those of an external magnetic field produces an effective magnetic field which is large in one of the Dirac cones, but can be practically zero in the other. We construct an efficient valley filter, where for a propagating incoming wave packet consisting of momenta around the K and K' Dirac points, the outgoing wave packet exhibits momenta in only one of these Dirac points while the components of the packet that belong to the other Dirac point are reflected due to the Lorentz force. We also found that the zitterbewegung is permanent in time in the presence of either external or strain-induced magnetic fields, but when both the external and strain-induced magnetic fields are present, the zitterbewegung is transient in one of the Dirac cones, whereas in the other cone the wave packet exhibits permanent spatial oscillations. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000284401600007 |
Publication Date |
2010-11-19 |
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 |
95 |
Open Access |
|
Notes |
; This work was financially supported by CNPq under NanoBioEstruturas Contract No. 555183/2005-0, PRONEX/CNPq/FUNCAP, CAPES, the Bilateral program between Flanders and Brazil, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1) ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:95542 |
Serial |
3905 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chaves, A.; Covaci, L.; Peeters, F.M.; Milošević, M.V. |
Title |
Topologically protected moiré exciton at a twist-boundary in a van der Waals heterostructure |
Type |
A1 Journal article |
Year |
2022 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
Volume |
9 |
Issue |
2 |
Pages |
025012 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
A twin boundary in one of the layers of a twisted van der Waals heterostructure separates regions with near opposite inter-layer twist angles. In a MoS<sub>2</sub>/WSe<sub>2</sub>bilayer, the regions with<inline-formula><tex-math><?CDATA $Rh^h$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>h</mi></msubsup></math><inline-graphic href=“tdmac529dieqn1.gif” type=“simple” /></inline-formula>and<inline-formula><tex-math><?CDATA $Rh^X$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>X</mi></msubsup></math><inline-graphic href=“tdmac529dieqn2.gif” type=“simple” /></inline-formula>stacking registry that defined the sub-lattices of the moiré honeycomb pattern would be mirror-reflected across such a twist boundary. In that case, we demonstrate that topologically protected chiral moiré exciton states are confined at the twist boundary. These are one-dimensional and uni-directional excitons with opposite velocities for excitons composed by electronic states with opposite valley/spin character, enabling intrinsic, guided, and far reaching valley-polarized exciton currents. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000760518100001 |
Publication Date |
2022-04-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.5 |
Times cited |
3 |
Open Access |
OpenAccess |
Notes |
Fonds Wetenschappelijk Onderzoek; Conselho Nacional de Desenvolvimento Científico e Tecnológico, PQ ; |
Approved |
Most recent IF: 5.5 |
Call Number |
CMT @ cmt @c:irua:187124 |
Serial |
7046 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chaves, A.; Azadani, J.G.; Alsalman, H.; da Costa, D.R.; Frisenda, R.; Chaves, A.J.; Song, S.H.; Kim, Y.D.; He, D.; Zhou, J.; Castellanos-Gomez, A.; Peeters, F.M.; Liu, Z.; Hinkle, C.L.; Oh, S.-H.; Ye, P.D.; Koester, S.J.; Lee, Y.H.; Avouris, P.; Wang, X.; Low, T. |
Title |
Bandgap engineering of two-dimensional semiconductor materials |
Type |
A1 Journal article |
Year |
2020 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
|
Volume |
4 |
Issue |
1 |
Pages |
29-21 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Semiconductors are the basis of many vital technologies such as electronics, computing, communications, optoelectronics, and sensing. Modern semiconductor technology can trace its origins to the invention of the point contact transistor in 1947. This demonstration paved the way for the development of discrete and integrated semiconductor devices and circuits that has helped to build a modern society where semiconductors are ubiquitous components of everyday life. A key property that determines the semiconductor electrical and optical properties is the bandgap. Beyond graphene, recently discovered two-dimensional (2D) materials possess semiconducting bandgaps ranging from the terahertz and mid-infrared in bilayer graphene and black phosphorus, visible in transition metal dichalcogenides, to the ultraviolet in hexagonal boron nitride. In particular, these 2D materials were demonstrated to exhibit highly tunable bandgaps, achieved via the control of layers number, heterostructuring, strain engineering, chemical doping, alloying, intercalation, substrate engineering, as well as an external electric field. We provide a review of the basic physical principles of these various techniques on the engineering of quasi-particle and optical bandgaps, their bandgap tunability, potentials and limitations in practical realization in future 2D device technologies. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000565588500001 |
Publication Date |
2020-08-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2397-7132 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
604 |
Open Access |
|
Notes |
; Discussions and interactions with D.R. Reichman, F. Tavazza, N.M.R. Peres, and K. Choudhary are gratefully acknowledged. A.C. acknowledges financial support by CNPq, through the PRONEX/FUNCAP and PQ programs. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement No. 755655, ERCStG 2017 project 2D-TOPSENSE). Computational support from the Minnesota Supercomputing Institute (MSI) and EU Graphene Flagship funding (Grant Graphene Core 2, 785219) is acknowledged. R.F. acknowledges support from the Netherlands Organization for Scientific Research (NWO) through the research program Rubicon with project number 680-50-1515. D.H., J.Z., and X.W. acknowledge support by National Natural Science Foundation of China 61734003, 61521001, 61704073, 51861145202, and 61851401, and National Key Basic Research Program of China 2015CB921600 and 2018YFB2200500. J.Z. and Z.L. acknowledge support by RG7/18, MOE2017-T2-2-136, MOE2018-T3-1-002, and A*Star QTE program. S.H.S. and Y.H.L. acknowledge the support from IBS-R011-D1. Y.D.K. is supported by Samsung Research and Incubation Funding Center of Samsung Electronics under Project Number SRFC-TB1803-04. S.J.K acknowledges financial support by the National Science Foundation (NSF), under award DMR-1921629. T.L. and J.G.A. acknowledge funding support from NSF/DMREF under Grant Agreement No. 1921629. S.-H.O. acknowledges support from the U.S. National Science Foundation (NSF ECCS 1809723) and Samsung Global Research Outreach (GRO) project. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:172069 |
Serial |
6459 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Charlier, E.; van Doorselaer, M.; Gijbels, R.; de Keyzer, R.; Geuens, I. |
Title |
Unveiling the composition of sulphur sensitization specks by their interactions with TAI |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Journal Of Imaging Science And Technology |
Abbreviated Journal |
J Imaging Sci Techn |
Volume |
44 |
Issue |
3 |
Pages |
235-241 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A two-step process for the formation of sensitivity centers different from earlier described two-step processes was found for sulfur sensitized emulsions. After deposition of sulfur in the first step, it was found that the second step does not consist of rearrangement of sulfur over the surface, but of the supply of silver interstitial ions towards the deposited sulfur clusters. The two processes could be separated by adsorbing and desorbing TAI (4-hydroxy-1, 3,3a, 7-tetraazaindene) at/from the silver halide surface. When 1.5 mmol TAI/mol Ag is added before the sulfur reaction, the silver interstitials are immobilized but sulfur still can be deposited at the same level. By lowering the pH to 2.50 after this sulfur reaction, TAI is desorbed from the surface and the released interstitials then cause a restoration of the properties of a sulfur system without TAI. These effects could be demonstrated via diffuse reflectance spectroscopy (DRS), sensitometry and dielectric loss measurements. We could also confirm the isolation of silver sulfide clusters by TAI from other chemicals in the solution, by adsorption of TAI on the clusters. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Springfield, Va |
Editor |
|
Language |
|
Wos |
000087651100010 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1062-3701 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.348 |
Times cited |
16 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 0.348; 2000 IF: NA |
Call Number |
UA @ lucian @ c:irua:34075 |
Serial |
3820 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Charkin, D.O.; Plokhikh, I.V.; Kazakov, S.M.; Kalmykov, S.N.; Akinfiev, V.S.; Gorbachev, A.V.; Batuk, M.; Abakumov, A.M.; Teterin, Y.A.; Maslakov, K.I.; Teterin, A.Y.; Ivanov, K.E. |
Title |
Synthesis and structural characterization of a novel Sillén – Aurivillius bismuth oxyhalide, PbBi3VO7.5Cl, and its derivatives |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Solid state sciences |
Abbreviated Journal |
Solid State Sci |
Volume |
75 |
Issue |
|
Pages |
27-33 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new Sillen – Aurivillius family of layered bismuth oxyhalides has been designed and successfully constructed on the basis of PbBiO2X(X = halogen) synthetic perites and g-form of Bi2VO5.5 solid elec- trolyte. This demonstrates, for the first time, the ability of the latter to serve as a building block in construction of mixed-layer structures. The parent compound PbBi3VO7.5-dCl (d = 0.05) has been investigated by powder XRD, TEM, XPS methods and magnetic susceptibility measurements. An unexpected but important condition for the formation of the mixed-layer structure is partial (ca. 5%) reduction of VV into VIV which probably suppresses competitive formation of apatite-like Pb – Bi vanadates. This reduction also stabilizes the g polymorphic form of Bi2VO5.5 not only in the intergrowth structure, but in Bi2V1-xMxO5.5-y (M – Nb, Sb) solid solutions. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000418566200005 |
Publication Date |
2017-11-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1293-2558 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.811 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
The work was partially supported by M.V. Lomonosov Moscow State University Program of Development and Russian Science Foundation under Grant No.14-13-00738. We also thank Dr. K.V. Zakharov (MSU) for the magnetic measurements of the PbBi3- VO7.5Cl sample. |
Approved |
Most recent IF: 1.811 |
Call Number |
EMAT @ emat @c:irua:147239 |
Serial |
4769 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Charkin, D.O.; Akinfiev, V.S.; Alekseeva, A.M.; Batuk, M.; Abakumov, A.M.; Kazakov, S.M. |
Title |
Synthesis and cation distribution in the new bismuth oxyhalides with the Sillen-Aurivillius intergrowth structures |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
Volume |
44 |
Issue |
44 |
Pages |
20568-20576 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
About 20 new compounds with the Sillen-Aurivillius intergrowth structure, (MeMeBi3Nb2O11X)-Me-1-Bi-2 (Me-1 = Pb, Sr, Ba; Me-2 = Ca, Sr, Ba; X = Cl, Br, I), have been prepared. They are composed of stacking of [ANb(2)O(7)] perovskite blocks, fluorite-type [M2O2] blocks and halogen sheets. The cation distribution between the fluorite and perovskite layers has been studied for Ba2Bi3Nb2O11I, Ca1.25Sr0.75Bi3Nb2O11Cl, BaCaBi3Nb2O11Br and Sr2Bi3Nb2O11Cl. The smaller Me cations tend to reside in the perovskite block while the larger ones are situated in the fluorite-type block. The distribution of the elements was confirmed for BaCaBi3Nb2O11Br using energy dispersive X-ray analysis combined with scanning transmission electron microscopy (STEM-EDX). An electron diffraction study of this compound reveals a local symmetry lowering caused by weakly correlated rotation of NbO6 octahedra. Based on our findings, we suggest a new stability criterion for mixed-layer structures, which is that net charges of any two consecutive layers do not compensate for each other and only the whole layer sequence is electroneutral. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000365411500036 |
Publication Date |
2015-10-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0300-9246; 1477-9226; 1472-7773 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.029 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:130330 |
Serial |
4256 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Charalampopoulou, E.; Lambrinou, K.; Van der Donck, T.; Paladino, B.; Di Fonzo, F.; Azina, C.; Eklund, P.; Mraz, S.; Schneider, J.M.; Schryvers, D.; Delville, R. |
Title |
Early stages of dissolution corrosion in 316L and DIN 1.4970 austenitic stainless steels with and without anticorrosion coatings in static liquid lead-bismuth eutectic (LBE) at 500 degrees C |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Materials Characterization |
Abbreviated Journal |
Mater Charact |
Volume |
178 |
Issue |
|
Pages |
111234 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
This work addresses the early stages (<= 1000 h) of the dissolution corrosion behavior of 316L and DIN 1.4970 austenitic stainless steels in contact with oxygen-poor (C-O < 10(-8) mass%), static liquid lead-bismuth eutectic (LBE) at 500 degrees C for 600-1000 h. The objective of this study was to determine the relative early-stage resistance of the uncoated steels to dissolution corrosion and to assess the protectiveness of select candidate coatings (Cr2AlC, Al2O3, V2AlxCy). The simultaneous exposure of steels with intended differences in microstructure and thermomechanical state showed the effects of steel grain size, density of annealing/deformation twins, and secondary precipitates on the steel dissolution corrosion behavior. The findings of this study provide recommendations on steel manufacturing with the aim of using the steels to construct Gen-IV lead-cooled fast reactors. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000752582700001 |
Publication Date |
2021-06-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.714 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 2.714 |
Call Number |
UA @ admin @ c:irua:186509 |
Serial |
7061 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Charalampopoulou, E.; Delville, R.; Verwerft, M.; Lambrinou, K.; Schryvers, D. |
Title |
Transmission electron microscopy study of complex oxide scales on DIN 1.4970 steel exposed to liquid Pb-Bi eutectic |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Corrosion science |
Abbreviated Journal |
Corrosion Science |
Volume |
147 |
Issue |
|
Pages |
22-31 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The deployment of Gen-IV lead-cooled fast reactors requires a good compatibility between the selected structural/cladding steels and the inherently corrosive heavy liquid metal coolant. An effective liquid metal corrosion mitigation strategy involves the in-situ steel passivation in contact with the oxygen-containing Pb-alloy coolant. Transmission electron microscopy was used in this work to study the multi-layered oxide scales forming on an austenitic stainless steel fuel cladding exposed to oxygen-containing (CO ≈ 10−6 mass%) static liquid leadbismuth eutectic (LBE) for 1000 h between 400 and 500 °C. The oxide scale constituents were analyzed, including the intertwined phases comprising the innermost biphasic layer. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000456902100003 |
Publication Date |
2018-10-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0010938X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
5 |
Open Access |
OpenAccess |
Notes |
The authors would like to thank J. Joris for the technical support during corrosion testing and J. Lim for the manufacturing and calibration of the oxygen sensors and oxygen pumps used in this work. E. Charalampopoulou personally thanks H. Heidari, S. Pourbabak, A. Orekhov (EMAT) and N. Cautaerts (EMAT, SCK•CEN), for their valuable help with the training of the FEI Tecnai Osiris S/TEM and Jeol 3000 S/ TEM, respectively, as well as S. Van den Broeck (EMAT), J. Pakarinen (SCK•CEN) and W. Van Renterghem (SCK•CEN) for FIB sample preparation. Moreover, the authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). |
Approved |
Most recent IF: NA |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:157541 |
Serial |
5164 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Charalampopoulou, E.; Cautaerts, N.; Van der Donck, T.; Schryvers, D.; Lambrinou, K.; Delville, R. |
Title |
Orientation relationship of the austenite-to-ferrite transformation in austenitic stainless steels due to dissolution corrosion in contact with liquid Pb-Bi eutectic |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
Volume |
167 |
Issue |
167 |
Pages |
66-70 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The orientation relationship of an austenite-to-ferrite phase transformation in 316L stainless steels induced by the loss of austenite stabilizers resulting from the steel dissolution corrosion in liquid Pb-Bi eutectic was studied by means of electron backscatter diffraction. The misorientations at the austenite/ferrite interface were compared to the prevailing orientation relationship models in steels. The Pitsch orientation relationship model was found to be predominant, which is unusual for austenite-to-ferrite bulk transformations in steels. The nature of this particular transformation, which involves loss of steel alloying elements and the presence of an interfacial liquid metal layer, is discussed to explain this finding. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000468720000014 |
Publication Date |
2019-04-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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 |
3 |
Open Access |
Not_Open_Access |
Notes |
; The authors would like to thank J. Joris (SCK center dot CEN) for technical support during corrosion testing, J. Lim (SCK center dot CEN) for the manufacture and calibration of the oxygen sensors used in this work and W. Van Renterghem (SCK center dot CEN) for his valuable help with the EBSD measurements. The steel suppliers were: Industeel, ArcelorMittal Group, for the 316L-SA plate, and Panchmahal Steel Ltd., India, for the 316L-CWrod. The authors gratefully acknowledge the financial support provided within the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). ; |
Approved |
Most recent IF: 3.747 |
Call Number |
UA @ admin @ c:irua:160228 |
Serial |
5257 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chapman, D.; Gielis, J. |
Title |
Gielis transformations for the audiovisual geometry database |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Symmetry : culture and science |
Abbreviated Journal |
|
Volume |
32 |
Issue |
2 |
Pages |
177-180 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
This publication introduces the audiovisual geometry database with Gielis transformations as initial records for a prototype of the database. A concise overview is given of the rationale behind the database and studying wave phenomena with Gielis transformations. First results on a form of timbral polyphony observed in Gielis curves and future work are briefly discussed. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
|
Publication Date |
2021-07-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0865-4824 |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:180965 |
Serial |
8004 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chang, K.; Xia, J.B.; Wu, H.B.; Feng, S.L.; Peeters, F.M. |
Title |
Quantum-confined magneto-Stark effect in diluted magnetic semiconductor coupled quantum wells |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
80 |
Issue |
10 |
Pages |
1788-1790 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The magneto-Stark effect in a diluted magnetic semiconductor (DMS) coupled quantum well (CQW) induced by an in-plane magnetic field is investigate theoretically. Unlike the usual electro-Stark effects, in a DMS CQW the Lorenz force leads to a spatially separated exciton. The in-plane magnetic field can shift the ground state of the magnetoexciton from a zero in-plane center of mass (CM)/momentum to a finite CM momentum, and render the ground state of magnetoexciton stable against radiative recombination due to momentum conservation. (C) 2002 American Institute of Physics. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000174181800036 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2002 IF: 4.207 |
Call Number |
UA @ lucian @ c:irua:94932 |
Serial |
2775 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chang, K.; Xia, J.B.; Peeters, F.M. |
Title |
Magnetic field tuning of the effective g factor in a diluted magnetic semiconductor quantum dot |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
82 |
Issue |
16 |
Pages |
2661-2663 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The spin interaction and the effective g factor of a magnetic exciton (ME) are investigated theoretically in a diluted magnetic semiconductor (DMS) quantum dot (QD), including the Coulomb interaction and the sp-d exchange interaction. At low magnetic field, the ME energy decreases rapidly with increasing magnetic field and saturates at high magnetic field for high Mn concentration. The ground state of the ME exhibits an interesting crossing behavior between sigma(+)-ME and sigma(-)-ME for low Mn concentration. The g(ex) factor of the ME in a DMS QD displays a monotonic decrease with increasing magnetic field and can be tuned to zero by an external magnetic field. (C) 2003 American Institute of Physics. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000182258800037 |
Publication Date |
2003-04-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
56 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2003 IF: 4.049 |
Call Number |
UA @ lucian @ c:irua:103301 |
Serial |
1878 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chang, K.; Peeters, F.M. |
Title |
Asymmetric stark shifts in InGaAs/GaAs near-surface quantum wells: the image charge effect |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
88 |
Issue |
|
Pages |
5246-5251 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000089813800048 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2000 IF: 2.180 |
Call Number |
UA @ lucian @ c:irua:34355 |
Serial |
159 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chang, K.; Peeters, F.M. |
Title |
Bright to dark exciton transition in symmetric coupled quantum wells |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
63 |
Issue |
15 |
Pages |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The energy dispersion of an exciton in a coupled quantum well is modified by an external in-plane magnetic field. We find that the in-plane magnetic field can shift the ground state of the magnetoexciton from a zero in-plane center-of-mass (CM) momentum to a finite CM momentum, and render the ground state of the magnetoexciton stable against radiative recombination due to momentum conservation. At the same time, a spatial separation of the electron and hole is realized. Thus an in-plane magnetic field can be used to tailor the radiative properties of excitons in coupled quantum wells. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000168215400013 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
42 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
Call Number |
UA @ lucian @ c:irua:37292 |
Serial |
256 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chang, K.; Peeters, F.M. |
Title |
Spin-polarized ballistic transport in diluted magnetic semiconductor quantum wire systems |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
68 |
Issue |
|
Pages |
205320,1-5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000187314400058 |
Publication Date |
2003-11-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
Call Number |
UA @ lucian @ c:irua:69378 |
Serial |
3096 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chang, K.; Peeters, F.M. |
Title |
Spin-polarized tunneling through diluted magnetic semiconductor barriers |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
120 |
Issue |
|
Pages |
181-184 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000171685400001 |
Publication Date |
2002-07-25 |
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 |
1.554 |
Times cited |
35 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.554; 2001 IF: 1.381 |
Call Number |
UA @ lucian @ c:irua:37303 |
Serial |
3099 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chang, K.; Li, S.S.; Xia, J.B.; Peeters, F.M. |
Title |
Electron and hole states in diluted magnetic semiconductor quantum dots |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
69 |
Issue |
|
Pages |
235203,1-8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000222531400048 |
Publication Date |
2004-06-17 |
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 |
32 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
Call Number |
UA @ lucian @ c:irua:69386 |
Serial |
907 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chang, K.; Chan, K.S.; Peeters, F.M. |
Title |
Spin-polarized tunneling through a diluted magnetic semiconductor quantum dot |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
71 |
Issue |
|
Pages |
155309,1-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000228762900070 |
Publication Date |
2005-04-12 |
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 |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
Call Number |
UA @ lucian @ c:irua:69408 |
Serial |
3098 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
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 |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000716024400001 |
Publication Date |
2021-10-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
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 |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chandrasekaran, M.; Ghosh, G.; Schryvers, D.; de Graef, M.; Delaey, L.; Van Tendeloo, G. |
Title |
Decomposition of a metastable bcc phase in rapidly solidified Ni-9 at.% Zr and Ni-8 at.%X alloys |
Type |
A1 Journal article |
Year |
1997 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
Philos Mag A |
Volume |
75 |
Issue |
|
Pages |
677-701 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
A1997WN48000006 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-8610; 1364-2804 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:21343 |
Serial |
608 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chakravorty, R.; Van Grieken, R. |
Title |
Co-precipitation with iron hydroxide and X-ray fluorescence analysis of trace metals in water |
Type |
A1 Journal article |
Year |
1982 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
|
Volume |
11 |
Issue |
1 |
Pages |
67-80 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Preconcentration of transition trace ions by coprecipitation on iron-hydroxide has been combined with energy-dispersive X-ray fluorescence for environmental water analysis. The optimized preconcentration procedure implies adding 2 mg of iron to a 200 ml water sample, adding dilute NaOH up to pH 9, filtering off on a Nuclepore membrane after a 1 h equilibration time, and analyzing. Quantitative recoveries could then be obtained for Ni, Cu, Zn and Pb, e.g. at the 10 μg/l level in waters of varying salinity while Mn was partially collected. (In fact, for a given problem the iron carrier amount can be adjusted to obtain a satisfactory compromise between high recovery and low detection limit). The precision is 7-8% at the 10 μg/l level, and the detection limits are in the 0.5-1 μg/l range. Various environmental water samples are analysed by way of illustration. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
A1982NG99200007 |
Publication Date |
2007-07-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0306-7319 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:116573 |
Serial |
7676 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chakraborty, J.; Chatterjee, A.; Molkens, K.; Nath, I.; Arenas Esteban, D.; Bourda, L.; Watson, G.; Liu, C.; Van Thourhout, D.; Bals, S.; Geiregat, P.; Van der Voort, P. |
Title |
Decoding Excimer Formation in Covalent–Organic Frameworks Induced by Morphology and Ring Torsion |
Type |
A1 Journal Article |
Year |
2024 |
Publication |
Advanced Materials |
Abbreviated Journal |
Advanced Materials |
Volume |
|
Issue |
|
Pages |
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
Abstract |
A thorough and quantitative understanding of the fate of excitons in covalent–organic frameworks (COFs) after photoexcitation is essential for their augmented optoelectronic and photocatalytic applications via precise structure tuning. The synthesis of a library of COFs having identical chemical backbone with impeded conjugation, but varied morphology and surface topography to study the effect of these physical properties on the photophysics of the materials is herein reported. The variation of crystallite size and surface topography substantified different aggregation pattern in the COFs, which leads to disparities in their photoexcitation and relaxation properties. Depending on aggregation, an inverse correlation between bulk luminescence decay time and exciton binding energy of the materials is perceived. Further transient absorption spectroscopic analysis confirms the presence of highly localized, immobile, Frenkel excitons (of diameter 0.3–0.5 nm) via an absence of annihilation at high density, most likely induced by structural torsion of the COF skeletons, which in turn preferentially relaxes via long‐lived (nanosecond to microsecond) excimer formation (in femtosecond scale) over direct emission. These insights underpin the importance of structural and topological design of COFs for their targeted use in photocatalysis. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
001206226700001 |
Publication Date |
2024-04-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
29.4 |
Times cited |
|
Open Access |
|
Notes |
PVDV, JC, AC, and IN acknowledge the FWO-Vlaanderen for research grant G020521N and the research board of UGent (BOF) through a Concerted Research Action (GOA010-17). JC acknowledges UGent for BOF postdoctoral grant (2022.0032.01). AC acknowledges FWO- Vlaanderen for postdoctoral grant (12T7521N). KM, DVT and PG acknowledges FWO- Vlaanderen for research grant G0B2921N. SB and DAE acknowledge financial support from ERC Consolidator Grant Number 815128 REALNANO. CHL acknowledges China Scholarship Council doctoral grant (201908110280). PVDV acknowledges Hercules Project AUGE/17/07 for the UV VIS DRS spectrometer and UGent BASBOF BOF20/BAS/015 for the powder X-Ray Diffractometer. PG thanks UGent for support of the Core Facility NOLIMITS. |
Approved |
Most recent IF: 29.4; 2024 IF: 19.791 |
Call Number |
EMAT @ emat @c:irua:205967 |
Serial |
9118 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chakraborty, J.; Chatterjee, A.; Molkens, K.; Nath, I.; Arenas Esteban, D.; Bourda, L.; Watson, G.; Liu, C.; Van Thourhout, D.; Bals, S.; Geiregat, P.; Van der Voort, P. |
Title |
Decoding Excimer Formation in Covalent–Organic Frameworks Induced by Morphology and Ring Torsion |
Type |
A1 Journal Article |
Year |
2024 |
Publication |
Advanced Materials |
Abbreviated Journal |
Advanced Materials |
Volume |
|
Issue |
|
Pages |
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
Abstract |
A thorough and quantitative understanding of the fate of excitons in covalent–organic frameworks (COFs) after photoexcitation is essential for their augmented optoelectronic and photocatalytic applications via precise structure tuning. The synthesis of a library of COFs having identical chemical backbone with impeded conjugation, but varied morphology and surface topography to study the effect of these physical properties on the photophysics of the materials is herein reported. The variation of crystallite size and surface topography substantified different aggregation pattern in the COFs, which leads to disparities in their photoexcitation and relaxation properties. Depending on aggregation, an inverse correlation between bulk luminescence decay time and exciton binding energy of the materials is perceived. Further transient absorption spectroscopic analysis confirms the presence of highly localized, immobile, Frenkel excitons (of diameter 0.3–0.5 nm) via an absence of annihilation at high density, most likely induced by structural torsion of the COF skeletons, which in turn preferentially relaxes via long‐lived (nanosecond to microsecond) excimer formation (in femtosecond scale) over direct emission. These insights underpin the importance of structural and topological design of COFs for their targeted use in photocatalysis. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
001206226700001 |
Publication Date |
2024-04-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
29.4 |
Times cited |
|
Open Access |
|
Notes |
PVDV, JC, AC, and IN acknowledge the FWO-Vlaanderen for research grant G020521N and the research board of UGent (BOF) through a Concerted Research Action (GOA010-17). JC acknowledges UGent for BOF postdoctoral grant (2022.0032.01). AC acknowledges FWOVlaanderen for postdoctoral grant (12T7521N). KM, DVT and PG acknowledges FWOVlaanderen for research grant G0B2921N. SB and DAE acknowledge financial support from ERC Consolidator Grant Number 815128 REALNANO. CHL acknowledges China Scholarship Council doctoral grant (201908110280). PVDV acknowledges Hercules Project AUGE/17/07 for the UV VIS DRS spectrometer and UGent BASBOF BOF20/BAS/015 for the powder X-Ray Diffractometer. PG thanks UGent for support of the Core Facility NOLIMITS. |
Approved |
Most recent IF: 29.4; 2024 IF: 19.791 |
Call Number |
EMAT @ emat @c:irua:205967 |
Serial |
9130 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T. |
Title |
Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
1-26 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
001202061200001 |
Publication Date |
2024-04-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
3.5 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.5; 2024 IF: 2.846 |
Call Number |
UA @ admin @ c:irua:205512 |
Serial |
9181 |
Permanent link to this record |
|
|
|
Author ![sorted by Author field, descending order (down)](img/sort_desc.gif) |
Ceyhan, E.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. |
Title |
Electronic and magnetic properties of single-layer FeCl₂ with defects |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
103 |
Issue |
1 |
Pages |
014106 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The formation of lattice defects and their effect on the electronic properties of single-layer FeCl2 are investigated by means of first-principles calculations. Among the vacancy defects, namely mono-, di-, and three-Cl vacancies and mono-Fe vacancy, the formation of mono-Cl vacancy is the most preferable. Comparison of two different antisite defects reveals that the formation of the Fe-antisite defect is energetically preferable to the Cl-antisite defect. While a single Cl vacancy leads to a 1 mu(B) decrease in the total magnetic moment of the host lattice, each Fe vacant site reduces the magnetic moment by 4 mu(B). However, adsorption of an excess Cl atom on the surface changes the electronic structure to a ferromagnetic metal or to a ferromagnetic semiconductor depending on the adsorption site without changing the ferromagnetic state of the host lattice. Both Cl-antisite and Fe-antisite defected domains change the magnetic moment of the host lattice by -1 mu(B) and +3 mu(B), respectively. The electronic ground state of defected structures reveals that (i) single-layer FeCl2 exhibits half-metallicity under the formation of vacancy and Cl-antisite defects; (ii) ferromagnetic metallicity is obtained when a single Cl atom is adsorbed on upper-Cl and Fe sites, respectively; and (iii) ferromagnetic semiconducting behavior is found when a Cl atom is adsorbed on a lower-Cl site or a Fe-antisite defect is formed. Simulated scanning electron microscope images show that atomic-scale identification of defect types is possible from their electronic charge density. Further investigation of the periodically Fe-defected structures reveals that the formation of the single-layer FeCl3 phase, which is a dynamically stable antiferromagnetic semiconductor, is possible. Our comprehensive analysis on defects in single-layer FeCl2 will complement forthcoming experimental observations. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000606969400002 |
Publication Date |
2021-01-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
Not_Open_Access |
Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and by Flemish Supercomputer Center (VSC). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. M.Y. was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ admin @ c:irua:176039 |
Serial |
6689 |
Permanent link to this record |