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Yasui, Y.; Lahabi, K.; Fernández Becerra, V.; Fermin, R.; Anwar, M.S.; Yonezawa, S.; Terashima, T.; Milošević, M.V.; Aarts, J.; Maeno, Y. |
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Title |
Spontaneous emergence of Josephson junctions in homogeneous rings of single-crystal Sr₂RuO₄ |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
npj Quantum Materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
1 |
Pages |
21-28 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Wos |
000525721000001 |
Publication Date |
2020-04-09 |
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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 |
2397-4648 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor  |
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Times cited |
10 |
Open Access |
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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 |
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Call Number |
UA @ admin @ c:irua:168553 |
Serial |
6613 |
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Author |
Jorgensen, M.; Shea, P.T.; Tomich, A.W.; Varley, J.B.; Bercx, M.; Lovera, S.; Cerny, R.; Zhou, W.; Udovic, T.J.; Lavallo, V.; Jensen, T.R.; Wood, B.C.; Stavila, V. |
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Title |
Understanding superionic conductivity in lithium and sodium salts of weakly coordinating closo-hexahalocarbaborate anions |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Chemistry of materials |
Abbreviated Journal |
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Volume |
32 |
Issue |
4 |
Pages |
1475-1487 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Solid-state ion conductors based on closo-polyborate anions combine high ionic conductivity with a rich array of tunable properties. Cation mobility in these systems is intimately related to the strength of the interaction with the neighboring anionic network and the energy for reorganizing the coordination polyhedra. Here, we explore such factors in solid electrolytes with two anions of the weakest coordinating ability, [HCB11H5Cl6](-) and [HCB11H5Br6](-), and a total of 11 polymorphs are identified for their lithium and sodium salts. Our approach combines ab initio molecular dynamics, synchrotron X-ray powder diffraction, differential scanning calorimetry, and AC impedance measurements to investigate their structures, phase-transition behavior, anion orientational mobilities, and ionic conductivities. We find that M(HCB11H5X6) (M = Li, Na, X = Cl, Br) compounds exhibit order-disorder polymorphic transitions between 203 and 305 degrees C and display Li and Na superionic conductivity in the disordered state. Through detailed analysis, we illustrate how cation disordering in these compounds originates from a competitive interplay among the lattice symmetry, the anion reorientational mobility, the geometric and electronic asymmetry of the anion, and the polarizability of the halogen atoms. These factors are compared to other closo-polyborate-based ion conductors to suggest guidelines for optimizing the cation-anion interaction for fast ion mobility. This study expands the known solid-state poly(carba)borate-based materials capable of liquid-like ionic conductivities, unravels the mechanisms responsible for fast ion transport, and provides insights into the development of practical superionic solid electrolytes. |
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Wos |
000517351300014 |
Publication Date |
2020-01-23 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
; The authors gratefully acknowledge support from the Hydrogen Materials-Advanced Research Consortium (HyMARC), established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Contract no. AC04-94AL85000. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under Contract no. DE-NA-0003525. A portion of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract no. ACS2-07NA27344. We also gratefully thank Kyoung Kweon for useful discussions. The views and opinions of the authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. Neither the United States Government nor any agency thereof nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. The Danish council for independent research, technology and production, HyNanoBorN (4181-00462) and SOS-MagBat (9041-00226B) and NordForsk, The Nordic Neutron Science Program, project FunHy (81942), and the Carlsberg Foundation are acknowledged for funding. Affiliation with the Center for Integrated Materials Research (iMAT) at Aarhus University is gratefully acknowledged. V.L. acknowledges the NSF for partial support of this project (DMR-1508537). The authors would like to thank the Swiss-Norwegian beamlines (BM01) at the ESRF, Grenoble, for the help with the data collection, DESY for access to Petra III, at beamline P02.1, and Diamond for access to beamline I11. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:167754 |
Serial |
6645 |
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Author |
Li, C.-F.; Zhao, K.; Liao, X.; Hu, Z.-Y.; Zhang, L.; Zhao, Y.; Mu, S.; Li, Y.; Li, Y.; Van Tendeloo, G.; Sun, C. |
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Title |
Interface cation migration kinetics induced oxygen release heterogeneity in layered lithium cathodes |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Energy Storage Materials |
Abbreviated Journal |
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Volume |
36 |
Issue |
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Pages |
115-122 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The irreversible release of the lattice oxygen in layered cathodes is one of the major degradation mechanisms of lithium ion batteries, which accounts for a number of battery failures including the voltage/capacity fade, loss of cation ions and detachment of the primary particles, etc. Oxygen release is generally attributed to the stepwise thermodynamic controlled phase transitions from the layered to spinel and rock salt phases. Here, we report a strong kinetic effect from the mobility of cation ions, whose migration barrier can be significantly modulated by the phase epitaxy at the degrading interface. It ends up with a clear oxygen release heterogeneity and completely different reaction pathways between the thin and thick areas, as well as the interparticle valence boundaries, both of which widely exist in the mainstream cathode design with the secondary agglomerates. This work unveils the origin of the heterogenous oxygen release in the layered cathodes. It also sheds light on the rational design of cathode materials with enhanced oxygen stability by suppressing the cation migration. |
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Wos |
000620584300009 |
Publication Date |
2020-12-24 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:176654 |
Serial |
6730 |
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Author |
Psilodimitrakopoulos, S.; Orekhov, A.; Mouchliadis, L.; Jannis, D.; Maragkakis, G.M.; Kourmoulakis, G.; Gauquelin, N.; Kioseoglou, G.; Verbeeck, J.; Stratakis, E. |
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Title |
Optical versus electron diffraction imaging of Twist-angle in 2D transition metal dichalcogenide bilayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
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Volume |
5 |
Issue |
1 |
Pages |
77 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Atomically thin two-dimensional (2D) materials can be vertically stacked with van der Waals bonds, which enable interlayer coupling. In the particular case of transition metal dichalcogenide (TMD) bilayers, the relative direction between the two monolayers, coined as twist-angle, modifies the crystal symmetry and creates a superlattice with exciting properties. Here, we demonstrate an all-optical method for pixel-by-pixel mapping of the twist-angle with a resolution of 0.55(degrees), via polarization-resolved second harmonic generation (P-SHG) microscopy and we compare it with four-dimensional scanning transmission electron microscopy (4D STEM). It is found that the twist-angle imaging of WS2 bilayers, using the P-SHG technique is in excellent agreement with that obtained using electron diffraction. The main advantages of the optical approach are that the characterization is performed on the same substrate that the device is created on and that it is three orders of magnitude faster than the 4D STEM. We envisage that the optical P-SHG imaging could become the gold standard for the quality examination of TMD superlattice-based devices. |
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Wos |
000694849200001 |
Publication Date |
2021-09-09 |
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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 |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
This research has been co-financed by the European Union and Greek national funds through the Operational Program Competitiveness, Entrepreneurship and Innovation, under the call European R & T Cooperation-Grant Act of Hellenic Institutions that have successfully participated in Joint Calls for Proposals of European Networks ERA NETS (National project code: GRAPH-EYE T8 Epsilon Rho Alpha 2-00009 and European code: 26632, FLAGERA). L.M., G.Ko. and G.Ki. acknowledge funding by the Hellenic Foundation for Research and Innovation (H.F.R.I.) under the “First Call for H.F.R.I. Research Projects to support Faculty members and Researchers and the procurement of high-cost research equipment grant” (Project No: HFRI-FM17-3034). GKi, S.P. and G.M.M. acknowledge funding from a research co-financed by Greece and the European Union (European Social Fund-ESF) through the Operational Programme “Human Resources Development, Education and Lifelong Learning 2014-2020” in the context of the project “Crystal quality control of two-dimensional materials and their heterostructures via imaging of their non-linear optical properties” (MIS 5050340)“. J.V acknowledges funding from FWO G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund, EU. J.V. and N.G. acknowledge funding from the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717-ESTEEM3. J.V. N.G. and A.O. acknowledge funding through a GOA project ”Solarpaint" of the University of Antwerp. |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:181610 |
Serial |
6877 |
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Author |
Conti, S.; Saberi-Pouya, S.; Perali, A.; Virgilio, M.; Peeters, F.M.; Hamilton, A.R.; Scappucci, G.; Neilson, D. |
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Title |
Electron-hole superfluidity in strained Si/Ge type II heterojunctions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
npj Quantum Materials |
Abbreviated Journal |
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Volume |
6 |
Issue |
1 |
Pages |
41 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Excitons are promising candidates for generating superfluidity and Bose-Einstein condensation (BEC) in solid-state devices, but an enabling material platform with in-built band structure advantages and scaling compatibility with industrial semiconductor technology is lacking. Here we predict that spatially indirect excitons in a lattice-matched strained Si/Ge bilayer embedded into a germanium-rich SiGe crystal would lead to observable mass-imbalanced electron-hole superfluidity and BEC. Holes would be confined in a compressively strained Ge quantum well and electrons in a lattice-matched tensile strained Si quantum well. We envision a device architecture that does not require an insulating barrier at the Si/Ge interface, since this interface offers a type II band alignment. Thus the electrons and holes can be kept very close but strictly separate, strengthening the electron-hole pairing attraction while preventing fast electron-hole recombination. The band alignment also allows a one-step procedure for making independent contacts to the electron and hole layers, overcoming a significant obstacle to device fabrication. We predict superfluidity at experimentally accessible temperatures of a few Kelvin and carrier densities up to similar to 6 x 10(10) cm(-2), while the large imbalance of the electron and hole effective masses can lead to exotic superfluid phases. |
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Wos |
000642904200001 |
Publication Date |
2021-04-23 |
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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 |
2397-4648 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
9 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:178226 |
Serial |
6984 |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Magnetic order and critical temperature of substitutionally doped transition metal dichalcogenide monolayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
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Volume |
5 |
Issue |
1 |
Pages |
54 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we investigate the magnetic order in two-dimensional (2D) transition-metal-dichalcogenide (TMD) monolayers: MoS2, MoSe2, MoTe2, WSe2, and WS2 substitutionally doped with period four transition-metals (Ti, V, Cr, Mn, Fe, Co, Ni). We uncover five distinct magnetically ordered states among the 35 distinct TMD-dopant pairs: the non-magnetic (NM), the ferromagnetic with out-of-plane spin polarization (Z FM), the out-of-plane polarized clustered FMs (clustered Z FM), the in-plane polarized FMs (X-Y FM), and the anti-ferromagnetic (AFM) state. Ni and Ti dopants result in an NM state for all considered TMDs, while Cr dopants result in an anti-ferromagnetically ordered state for all the TMDs. Most remarkably, we find that Fe, Mn, Co, and V result in an FM ordered state for all the TMDs, except for MoTe2. Finally, we show that V-doped MoSe2 and WSe2, and Mn-doped MoS2, are the most suitable candidates for realizing a room-temperature FM at a 16-18% atomic substitution. |
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Wos |
000650635200004 |
Publication Date |
2021-05-14 |
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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 |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:179063 |
Serial |
7001 |
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Author |
Juneja, R.; Thebaud, S.; Pandey, T.; Polanco, C.A.; Moseley, D.H.; Manley, M.E.; Cheng, Y.Q.; Winn, B.; Abernathy, D.L.; Hermann, R.P.; Lindsay, L. |
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Title |
Quasiparticle twist dynamics in non-symmorphic materials |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Materials Today Physics |
Abbreviated Journal |
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Volume |
21 |
Issue |
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Pages |
100548 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a 'twist' dynamical description of quasiparticles (including phonons and Bloch electrons) in nonsymmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasi particle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications. (C) 2021 Published by Elsevier Ltd. |
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Wos |
000708226400009 |
Publication Date |
2021-09-30 |
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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 |
2542-5293 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:184040 |
Serial |
7016 |
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Author |
Shi, W.; Pandey, T.; Lindsay, L.; Woods, L.M. |
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Title |
Vibrational properties and thermal transport in quaternary chalcogenides : the case of Te-based compositions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
4 |
Pages |
045401 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Vibrational thermal properties of CuZn2InTe4, AgZn2InTe4, and Cu2CdSnTe4, derived from binary II-VI zinc-blendes, are reported based on first-principles calculations. While the chalcogenide atoms in these materials have the same lattice positions, the cation atom arrangements vary, resulting in different crystal symmetries and subsequent properties. The compositional differences have important effects on the vibrational thermal characteristics of the studied materials, which demonstrate that low-frequency optical phonons hybridize with acoustic phonons and lead to enhanced phonon-phonon scattering and low lattice thermal conductivities. The phonon density of states, mode Gruneisen parameters, and phonon scattering rates are also calculated, enabling deeper insight into the microscopic thermal conduction processes in these materials. Compositional variations drive differences among the three materials considered here; nonetheless, their structural similarities and generally low thermal conductivities (0.5-4 W/mK at room temperature) suggest that other similar II-VI zinc-blende derived materials will also exhibit similarly low values, as also corroborated by experimental data. This, combined with the versatility in designing a variety of motifs on the overall structure, makes quaternary chalcogenides interesting for thermal management and energy conversion applications that require low thermal conductivity. |
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Wos |
000655931400005 |
Publication Date |
2021-04-01 |
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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 |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:179140 |
Serial |
7045 |
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Author |
Poulain, R.; Lumbeeck, G.; Hunka, J.; Proost, J.; Savolainen, H.; Idrissi, H.; Schryvers, D.; Gauquelin, N.; Klein, A. |
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Title |
Electronic and chemical properties of nickel oxide thin films and the intrinsic defects compensation mechanism |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS applied electronic materials |
Abbreviated Journal |
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Volume |
4 |
Issue |
6 |
Pages |
2718-2728 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Although largely studied, contradictory results on nickel oxide (NiO) properties can be found in the literature. We herein propose a comprehensive study that aims at leveling contradictions related to NiO materials with a focus on its conductivity, surface properties, and the intrinsic charge defects compensation mechanism with regards to the conditions preparation. The experiments were performed by in situ photo-electron spectroscopy, electron energy loss spectroscopy, and optical as well as electrical measurements on polycrystalline NiO thin films prepared under various preparation conditions by reactive sputtering. The results show that surface and bulk properties were strongly related to the deposition temperature with in particular the observation of Fermi level pinning, high work function, and unstable oxygen-rich grain boundaries for the thin films produced at room temperature but not at high temperature (>200 degrees C). Finally, this study provides substantial information about surface and bulk NiO properties enabling to unveil the origin of the high electrical conductivity of room temperature NiO thin films and also for supporting a general electronic charge compensation mechanism of intrinsic defects according to the deposition temperature. |
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000819431200001 |
Publication Date |
2022-06-07 |
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Edition |
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ISSN |
2637-6113 |
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UA library record; WoS full record; WoS citing articles |
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Open Access |
Not_Open_Access |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189555 |
Serial |
7081 |
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Author |
Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A. |
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Title |
First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Materials Today Communications |
Abbreviated Journal |
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Volume |
31 |
Issue |
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Pages |
103388-10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Enhancing aluminium interaction with graphene-based materials is of crucial importance for the development of Al-storage materials and novel functional materials via atomically precise doping. Here, DFT calculations are employed to investigate Al interactions with non-doped and N-doped graphene nanoribbons (GNRs) and address the impact of the edge sites and N-containing defects on the material's reactivity towards Al. The presence of edges does not influence the energetics of Al adsorption significantly (compared to pristine graphene sheet). On the other hand, N-doping of graphene nanoribbons is found to affect the adsorption energy of Al to an extent that strongly depends on the type of N-containing defect. The introduction of edge-NO group and doping with in -plane pyridinic N result in Al adsorption nearly twice as strong as on pristine graphene. Moreover, double n-type doping via N and Al significantly alters the electronic structure of Al,N-containing GNRs. Our results suggest that selectively doped GNRs with pyridinic N can have enhanced Al-storage capacity and could be potentially used for selective Al electrosorption and removal. On the other hand, Al,N-containing GNRs with pyridinic N could also be used in resistive sensors for mechanical deformation. Namely, strain along the longitudinal axis of these dual doped GNRs does not affect the binding of Al but tunes the bandgap and causes more than 700-fold change in the conductivity. Thus, careful defect engineering and selective doping of GNRs with N (and Al) could lead to novel multifunctional materials with exceptional properties. [GRAPHICS] |
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000820987400002 |
Publication Date |
2022-03-15 |
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Series Issue |
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Edition |
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ISSN |
2352-4928 |
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UA library record; WoS full record |
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Open Access |
Not_Open_Access |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189563 |
Serial |
7163 |
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Author |
Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D. |
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Title |
Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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Volume |
2 |
Issue |
2 |
Pages |
1251-1258 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery applications. |
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Wos |
000459948900037 |
Publication Date |
2019-01-04 |
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Series Editor |
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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 |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:193759 |
Serial |
7414 |
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Author |
Damla, N.; Čevik, U.; Kobya, A.I.; Celik, A.; Van Grieken, R.; Kobya, Y. |
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Title |
Characterization of gas concrete materials used in buildings of Turkey |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
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Volume |
168 |
Issue |
2/3 |
Pages |
681-687 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The activity concentration of 226Ra, 232Th and 40K in gas concrete samples collected from different suppliers and some provinces in Turkey were measured using gamma-ray spectrometry. Knowledge of radioactivity in gas concrete used in building materials enables one to assess any possible radiological risks to human health. The mean activity concentrations observed in the gas concrete samples were 82.0, 28.2 and 383.9 Bq kg−1 for 226Ra, 232Th and 40K, respectively. The radium equivalent activity, external and internal hazard indices as well as terrestrial absorbed dose and annual effective dose rate was calculated. The results indicate that the radium equivalent activity values of gas concrete samples are lower than the limit of 370 Bq kg−1, equivalent to a gamma-dose of 1.5 mSv y−1. Moreover, mass attenuation coefficients were measured in some gas concrete samples. It was found that the mass attenuation coefficients decreased with increasing photon energies. Also, chemical compositions and structural analysis (XRD and SEM) of the gas concrete samples were investigated. |
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Wos |
000268200700014 |
Publication Date |
2009-02-26 |
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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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:77256 |
Serial |
7621 |
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Author |
Uzonyi, I.; Szöör, G.; Rozsa, P.; Vekemans, B.; Vincze, L.; Adams, F.; Drakopoulos, M.; Somogyi, A.; Kiss, Á.Z. |
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Title |
Characterization of impact materials around Barringer meteor crater by micro-PIXE nd micro-SRXRF techniques |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
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Volume |
219/220 |
Issue |
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Pages |
555-560 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000221895800104 |
Publication Date |
2004-02-21 |
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Series Editor |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0168-583x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:46507 |
Serial |
7622 |
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Author |
Čevik, U.; Damla, N.; Van Grieken, R.; Vefa Akpinar, M. |
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Title |
Chemical composition of building materials used in Turkey |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Construction and building materials |
Abbreviated Journal |
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Volume |
25 |
Issue |
4 |
Pages |
1546-1552 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The main goal of this work was to determine the chemical composition of building materials used in Turkey by utilizing energy dispersive X-ray fluorescence (EDXRF) spectrometry. Gas concrete, cement, sand, bricks, roofing tiles, marble, lime and gypsum materials were selected as building materials for this research. The chemical contents and their trace concentrations of the selected samples were determined. The most abundant oxides measured were generally SiO2, Al2O3, CaO, MgO, Fe2O3, K2O and SO3 for all samples. While the main chemical component of gas concrete, cement, sand and marble samples were SiO2 and CaO, brick and roofing tile mainly consisted of SiO2 and Al2O3. CaO and SO3 were major component of lime and gypsum samples, respectively. For U and Th concentrations in the samples, activities of 226Ra and 232Th were measured by utilizing gamma spectrometry. ANOVA and Pearson correlation analyses were performed on the studied data for statistical analysis. |
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Wos |
000287379300007 |
Publication Date |
2010-09-22 |
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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 |
0950-0618 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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no |
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Call Number |
UA @ admin @ c:irua:86448 |
Serial |
7653 |
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Author |
Stefaniak, E.A.; Alsecz, A.; Frost, R.; Máthé, Z.; Sajó, I.E.; Török, S.; Worobiec, A.; Van Grieken, R. |
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Title |
Combined SEM/EDX and micro-Raman spectroscopy analysis of uranium minerals from a former uranium mine |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
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Volume |
168 |
Issue |
1 |
Pages |
416-423 |
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Keywords |
A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Samples of the secondary uranium minerals collected in the abandoned uranium mine at Pecs (Hungary) were investigated by two micro-techniques: scanning electron microscopy (SEM/EDX) and micro-Raman spectroscopy (MRS). They were applied to locate U-rich particles and identify the chemical form and oxidation state of the uranium compounds. The most abundant mineral was a K and/or Na uranyl sulphate (zippeite group). U(VI) was also present in the form showing intensive Raman scattering at 860 cm−1 which can be attributed to uranium trioxide. This research has shown the successful application of micro-Raman spectroscopy for the identification of uranyl mineral species on the level of individual particles. |
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Wos |
000267567600060 |
Publication Date |
2009-02-22 |
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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 |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:77032 |
Serial |
7681 |
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Author |
Velimirovic, M.; Carniato, L.; Simons, Q.; Schoups, G.; Seuntjens, P.; Bastiaens, L. |
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Title |
Corrosion rate estimations of microscale zerovalent iron particles via direct hydrogen production measurements |
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A1 Journal article |
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Year |
2014 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
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Volume |
270 |
Issue |
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Pages |
18-26 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this study, the aging behavior of microscale zerovalent iron (mZVI) particles was investigated by quantifying the hydrogen gas generated by anaerobic mZVI corrosion in batch degradation experiments. Granular iron and nanoscale zerovalent iron (nZVI) particles were included in this study as controls. Firstly, experiments in liquid medium (without aquifer material) were performed and revealed that mZV1 particles have approximately a 10-30 times lower corrosion rate than nZVI particles. A good correlation was found between surface area normalized corrosion rate (R-SA) and reaction rate constants (K-SA) of PCE, TCE, cDCE and 1,1,1-TCA. Generally, particles with higher degradation rates also have faster corrosion rates, but exceptions do exists. In a second phase, the hydrogen evolution was also monitored during batch tests in the presence of aquifer material and real groundwater. A 4-9 times higher corrosion rate of mZV1 particles was observed under the natural environment in comparison with the aquifer free artificial condition, which can be attributed to the low pH of the aquifer and its buffer capacity. A corrosion model was calibrated on the batch experiments to take into account the inhibitory effects of the corrosion products (dissolved iron, hydrogen and OH-) on the iron corrosion rate. (C) 2014 Elsevier B.V. All rights reserved. |
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Wos |
000335109200003 |
Publication Date |
2014-02-01 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0304-3894 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:117179 |
Serial |
7738 |
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Author |
Van Vlierberghe, S. |
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Title |
Crosslinking strategies for porous gelatin scaffolds |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of materials science |
Abbreviated Journal |
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Volume |
51 |
Issue |
9 |
Pages |
4349-4357 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The present work reports on the application and the evaluation of a multitude of crosslinking approaches including high-energy irradiation, redox-initiating systems and conventional carbodiimide-coupling chemistry for frozen and/or freeze-dried porous gelatin scaffolds. The latter is particularly relevant for a plethora of biomedical applications such as tissue engineering supports, wound dressings, adhesive and absorbent pads for surgery, etc. Moreover, the results obtained for gelatin can be considered a proof-of-concept to be extrapolated to other polymer systems containing double bonds and/or amines and carboxylic acids to also realize scaffold crosslinking in dry or frozen state. The results showed that high-energy irradiation at -5 A degrees C enabled sufficient segmental mobility to induce chemical crosslinking after performing a cryogenic treatment of methacrylamide-modified gelatin scaffolds. Alternatively, although several redox-initiating systems were unable to chemically crosslink functionalized gelatin, the combination of ammonium persulphate and TEMED resulted in the formation of scaffolds with a reasonable gel fraction. Interestingly, carbodiimide-coupling was found suitable to crosslink freeze-dried gelatin matrices. |
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Wos |
000370342100016 |
Publication Date |
2016-01-26 |
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Edition |
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ISSN |
0022-2461 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:132277 |
Serial |
7742 |
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Author |
Yorulmaz, B.; Ozden, A.; Sar, H.; Ay, F.; Sevik, C.; Perkgoz, N.K. |
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Title |
CVD growth of monolayer WS2 through controlled seed formation and vapor density |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Materials science in semiconductor processing |
Abbreviated Journal |
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Volume |
93 |
Issue |
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Pages |
158-163 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Large area, single layer WS2 has a high potential for use in optoelectrical devices with its high photo-luminescence intensity and low response time. In this work, we demonstrate a systematic study of controlled tungsten disulfide (WS2) monolayer growth using chemical vapor deposition (CVD) technique. With a detailed investigation of process parameters such as H-2 gas inclusion into the main carrier gas, growth temperature and duration, we have gained insight into two-dimensional (2D) WS2 synthesis through controlling the seed formations and the radical vapor density associated with WO3. We confirm that H-2 gas, when included to the carrier gas, is directly involved in WO3 reduction due to its reductive reagent nature, which provides a more effective sulfurization and monolayer formation process. Additionally, by changing the CVD growth configuration, hence, increasing the tungsten related vapor density and confining the reactant radicals, we succeed in realizing larger WS(2 )monolayers, which is still a technological challenge in order to utilize these structures for practical applications. Further optimization of the growth procedure is demonstrated by tuning the growth duration to prevent the excess seed formations and additional layers which will possibly limit the device performance of the monolayer flakes or films when applied. |
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Wos |
000457727300018 |
Publication Date |
2019-01-09 |
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Series Editor |
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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 |
1369-8001 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:193782 |
Serial |
7748 |
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Author |
Naberezhnyi, D.; Rumyantseva, M.; Filatova, D.; Batuk, M.; Hadermann, J.; Baranchikov, A.; Khmelevsky, N.; Aksenenko, A.; Konstantinova, E.; Gaskov, A. |
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Title |
Effects of Ag additive in low temperature CO detection with In2O3 based gas sensors |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanomaterials |
Abbreviated Journal |
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Volume |
8 |
Issue |
10 |
Pages |
801 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanocomposites In2O3/Ag obtained by ultraviolet (UV) photoreduction and impregnation methods were studied as materials for CO sensors operating in the temperature range 25-250 degrees C. Nanocrystalline In2O3 and In2O3/Ag nanocomposites were characterized by X-ray diffraction (XRD), single-point Brunauer-Emmet-Teller (BET) method, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) with energy dispersive X-ray (EDX) mapping. The active surface sites were investigated using Fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance (EPR) spectroscopy and thermo-programmed reduction with hydrogen (TPR-H-2) method. Sensor measurements in the presence of 15 ppm CO demonstrated that UV treatment leads to a complete loss of In2O3 sensor sensitivity, while In2O3/Ag-UV nanocomposite synthesized by UV photoreduction demonstrates an increased sensor signal to CO at T < 200 degrees C. The observed high sensor response of the In2O3/Ag-UV nanocomposite at room temperature may be due to the realization of an additional mechanism of CO oxidation with participation of surface hydroxyl groups associated via hydrogen bonds. |
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Wos |
000451174100057 |
Publication Date |
2018-10-08 |
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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 |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:156335 |
Serial |
7842 |
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Author |
Yildiz, A.; Chouki, T.; Atli, A.; Harb, M.; Verbruggen, S.W.; Ninakanti, R.; Emin, S. |
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Title |
Efficient iron phosphide catalyst as a counter electrode in dye-sensitized solar cells |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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|
| |
Volume |
4 |
Issue |
10 |
Pages |
10618-10626 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Developing an efficient material as a counter electrode (CE) with excellent catalytic activity, intrinsic stability, and low cost is essential for the commercial application of dye-sensitized solar cells (DSSCs). Transition metal phosphides have been demonstrated as outstanding multifunctional catalysts in a broad range of energy conversion technologies. Here, we exploited different phases of iron phosphide as CEs in DSSCs with an I–/I3–-based electrolyte. Solvothermal synthesis using a triphenylphosphine precursor as a phosphorus source allows to grow a Fe2P phase at 300 °C and a FeP phase at 350 °C. The obtained iron phosphide catalysts were coated on fluorine-doped tin oxide substrates and heat-treated at 450 °C under an inert gas atmosphere. The solar-to-current conversion efficiency of the solar cells assembled with the Fe2P material reached 3.96 ± 0.06%, which is comparable to the device assembled with a platinum (Pt) CE. DFT calculations support the experimental observations and explain the fundamental origin behind the improved performance of Fe2P compared to FeP. These results indicate that the Fe2P catalyst exhibits excellent performance along with desired stability to be deployed as an efficient Pt-free alternative in DSSCs. |
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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 |
000711236300022 |
Publication Date |
2021-10-08 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:181953 |
Serial |
7853 |
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| Permanent link to this record |
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Author |
Khazaei, M.; Wang, V.; Sevik, C.; Ranjbar, A.; Arai, M.; Yunoki, S. |
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| |
Title |
Electronic structures of iMAX phases and their two-dimensional derivatives: A family of piezoelectric materials |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
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|
| |
Volume |
2 |
Issue |
7 |
Pages |
074002 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Recently, a group of MAX phases, (Mo2/3Y1/3)(2)AlC, (Mo2/3Sc1/3)(2)AlC, (W2/3Sc1/3)(2)AlC,(W2/3Y1/3)(2)AlC, and (V-2/3 Zr-1/3)(2)AlC, with in-plane ordered double transition metals, named iMAX phases, have been synthesized. Experimentally, some of these MAX phases can be chemically exfoliated into two-dimensional (2D) single- or multilayered transition metal carbides, so-called MXenes. Accordingly, the 2D nanostructures derived from iMAX phases are named iMXenes. Here we investigate the structural stabilities and electronic structures of the experimentally discovered iMAX phases and their possible iMXene derivatives. We show that the iMAX phases and their pristine, F, or OH-terminated iMXenes are metallic. However, upon 0 termination, (Mo2/3Y1/3)(2)C, (Mo2/3Sc1/3)(2)C, (W2/3Y1/3)(2)C, and (W2/3Sc1/3)(2)C iMXenes turn into semiconductors. Owing to the absence of centrosymmetry, the semiconducting iMXenes may find applications in piezoelectricity. Our calculations reveal that the semiconducting iMXenes possess giant piezoelectric coefficients as large as 45 x 10(-)(10) C/m. |
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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 |
000438354500001 |
Publication Date |
2018-07-12 |
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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 |
|
Series Issue |
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Edition |
|
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| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:193791 |
Serial |
7876 |
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| Permanent link to this record |
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Author |
Pinera, I.; Cruz, C.M.; Abreu, Y.; Leyva, A.; van Espen, P.; Diaz, A.; Cabal, A.E.; Van Remortel, N. |
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Title |
Gamma induced atom displacements in LYSO and LuYAP crystals as used in medical imaging applications |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Interactions With Materials And Atoms |
Abbreviated Journal |
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|
| |
Volume |
356 |
Issue |
|
Pages |
46-52 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
The radiation damage, in terms of atom displacements, induced by gamma irradiation in LYSO and LuYAP crystals is presented. Sc-44, Na-22 and V-48 are used as gamma sources for this study. The energy of gammas from the electron positron annihilation processes (511 keV) is also included in the study. The atom displacements distributions inside each material are calculated following the Monte Carlo assisted Classical Method introduced by the authors. This procedure also allows to study the atom displacements in-depth distributions inside each crystal. The atom displacements damage in LYSO crystals is found to be higher than in LuYAP crystals, mainly provoked by the displacements of silicon and oxygen atoms. But the difference between atom displacements produced in LYSO and LuYAP decreases when more energetic sources are used. On the other hand, the correlation between the atom displacements and energy deposition in-depth distributions is excellent. The atom displacements to energy deposition ratio is found to increases with more energetic photon sources. LYSO crystals are then more liable to the atom displacements damage than LuYAP crystals. (C) 2015 Elsevier B.V. All rights reserved. |
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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 |
000356990400008 |
Publication Date |
2015-05-14 |
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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 |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0168-583x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:127012 |
Serial |
7987 |
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| Permanent link to this record |
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Author |
Gupta, A.; Baron, G.V.; Perreault, P.; Lenaerts, S.; Ciocarlan, R.-G.; Cool, P.; Mileo, P.G.M.; Rogge, S.; Van Speybroeck, V.; Watson, G.; Van Der Voort, P.; Houlleberghs, M.; Breynaert, E.; Martens, J.; Denayer, J.F.M. |
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Title |
Hydrogen clathrates : next generation hydrogen storage materials |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Energy Storage Materials |
Abbreviated Journal |
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| |
Volume |
41 |
Issue |
|
Pages |
69-107 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Extensive research has been carried on the molecular adsorption in high surface area materials such as carbonaceous materials and MOFs as well as atomic bonded hydrogen in metals and alloys. Clathrates stand among the ones to be recently suggested for hydrogen storage. Although, the simulations predict lower capacity than the expected by the DOE norms, the additional benefits of clathrates such as low production and operational cost, fully reversible reaction, environmentally benign nature, low risk of flammability make them one of the most promising materials to be explored in the next decade. The inherent ability to tailor the properties of clathrates using techniques such as addition of promoter molecules, use of porous supports and formation of novel reverse micelles morphology provide immense scope customisation and growth. As rapidly evolving materials, clathrates promise to get as close as possible in the search of “holy grail” of hydrogen storage. This review aims to provide the audience with the background of the current developments in the solid-state hydrogen storage materials, with a special focus on the hydrogen clathrates. The in-depth analysis of the hydrogen clathrates will be provided beginning from their discovery, various additives utilised to enhance their thermodynamic and kinetic properties, challenges in the characterisation of hydrogen in clathrates, theoretical developments to justify the experimental findings and the upscaling opportunities presented by this system. The review will present state of the art in the field and also provide a global picture for the path forward. |
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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 |
000685118300009 |
Publication Date |
2021-06-08 |
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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 |
2405-8297 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:178744 |
Serial |
8045 |
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| Permanent link to this record |
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Author |
Pinera, I.; Cruz, C.M.; Leyva, A.; Abreu, Y.; Cabal, A.E.; van Espen, P.; Van Remortel, N. |
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Title |
Improved calculation of displacements per atom cross section in solids by gamma and electron irradiation |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Interactions With Materials And Atoms |
Abbreviated Journal |
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Volume |
339 |
Issue |
|
Pages |
1-7 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10-90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5-50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20-70%) with respect to the previous studies. (C) 2014 Elsevier B.V. All rights reserved. |
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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 |
000343785500001 |
Publication Date |
2014-09-15 |
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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 |
0168-583x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:121161 |
Serial |
8069 |
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| Permanent link to this record |
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Author |
Osella, S.; Knippenberg, S. |
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Title |
Laurdan as a molecular rotor in biological environments |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
ACS applied bio materials |
Abbreviated Journal |
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| |
Volume |
2 |
Issue |
12 |
Pages |
5769-5778 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Laurdan is one of the most used fluorescent probes for lipid membrane phase recognition. Despite its wide use for optical techniques and its versatility as a solvatochromic probe, little is known regarding its use as molecular rotor, for which clear evidence is found in the current study. Although recent computational and experimental studies suggest the existence of two stable conformations of laurdan in different membrane phases, it is difficult to experimentally probe their prevalence. By means of multiscale computational approaches, we prove now that this information can be obtained through the optical properties of the two conformers, ranging from one-photon absorption over two-photon absorption to the first hyperpolarizability. Fluorescence decay and anisotropy analyses are performed as well and stress the importance of laurdan's conformational versatility. As a molecular rotor and with reference to the distinct properties of its conformers, laurdan can be used to probe biochemical processes that change the lipid orders in cell membranes. |
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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 |
000616372300047 |
Publication Date |
2019-11-22 |
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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 |
2576-6422 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:180356 |
Serial |
8166 |
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| Permanent link to this record |
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Author |
Delalieux, F.; Tsuji, K.; Wagatsuma, K.; Van Grieken, R. |
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Title |
Material analysis methods applied to the study of ancient monuments, works of art and artefacts |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Materials transactions |
Abbreviated Journal |
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Volume |
43 |
Issue |
9 |
Pages |
2197-2200 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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 |
000178449800008 |
Publication Date |
2005-10-17 |
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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 |
|
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:40618 |
Serial |
8208 |
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| Permanent link to this record |
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Author |
Roet, D.; van Espen, P. |
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Title |
Monte Carlo simulation of X-ray spectra from low energy electrons using optical data |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms |
Abbreviated Journal |
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| |
Volume |
268 |
Issue |
17/18 |
Pages |
2794-2800 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
An approach using optical data to simulate both the bremsstrahlung continuum and characteristic K and L X-ray lines generated by low energy electrons (cfr. electron microscopy) in solids is discussed in this paper. The necessary analytical expressions together with the data to calculate the relevant cross sections for elastic and inelastic interactions at these energies along with variance reduction techniques are given. The results of the Monte Carlo simulation are compared to experimental data measured with a JEOL 6300 electron microscope. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000281498900039 |
Publication Date |
2010-07-15 |
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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 |
0168-583x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:84261 |
Serial |
8281 |
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| Permanent link to this record |
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Author |
Nowak, D.; Florek, M.; Nowak, J.; Kwiatek, W.; Lekki, J.; Chevallier, P.; Hacura, A.; Wrzalik, R.; Ben-Nissan, B.; Van Grieken, R.; Kuczumow, A. |
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Title |
Morphology and the chemical make-up of the inorganic components of black corals |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
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Volume |
29 |
Issue |
3 |
Pages |
1029-1038 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Black corals (Cnidaria, Antipatharia) from three different sources were investigated with the aim of detecting inorganic components and their morphology. In general, the skeleton of black corals was composed of the chitin fibrils admixed with peptides and the chitin presence was confirmed by the X-ray diffraction (XRD), Fourier Transformed Infrared Spectrometry (FTIR) and microRaman Microscopy, the latter giving the opportunity of tracing single fibrils and their location. The composition and concentrations of the inorganic components of the black corals were measured, using a scanning electron microprobe and micro-Particle Induced X-ray Emission (µ-PIXE). The application of such instruments enabled the estimation of the constituent distributions in a microscale. The mapping option was the most useful technique of making analyses in these studies, just to reveal the composition of chamber-like cells. Analysis of the morphology and microstructure showed that there were three distinct regions within the coral: a core and the cells encircled with adjacent interface gluing strips. The majority of the elements analyzed were selectively distributed and segregated in a striking way in mentioned distinctive zones of the skeleton and it was detected for the first time. The core area was characterized by the relatively elevated concentrations of Ca. The measurements gave extremely clear images of the distribution of particular elements in the skeletal tissue, with I, Ca, K and Fe much more concentrated in the gluing zones, while C, N, Na and Mg present in the interiors of particular skeletal cells. The distribution of some elements (Mg, Fe) and some compounds (chitin) and functional groups (SS, CI) allows differentiating the biological and mechanical functions of particular fragments of the rods. The kinds of elements and their concentrations measured were essentially in compliance with rare data available in the literature. The Raman technique gave the additional qualitative information about the structure of gluing zone and the chitin fibrils and surrounding matrix inside the cell interior. |
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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 |
000266520400065 |
Publication Date |
2008-09-10 |
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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 |
0928-4931 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:76024 |
Serial |
8284 |
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| Permanent link to this record |
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Author |
Celik, N.; Čevik, U.; Celik, A.; Koz, B. |
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Title |
Natural and artificial radioactivity measurements in Eastern Black Sea region of Turkey |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
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| |
Volume |
162 |
Issue |
1 |
Pages |
146-153 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
In the present work, naturally occurring radionuclides of (226)Ra, (232)Th and (40)K were measured in soil samples collected from the Eastern Black Sea region of Turkey. It was found that the activity concentrations ranged from 12 to 120 Bq kg(-1) for (226)Ra, from 13 to 121 Bq kg(-1) for (232)Th and from 204 to 1295 Bq kg(-1) for (40)K. Besides naturally occurring radionuclides, (137)Cs activity concentration was measured in soil, lichen and moss samples and it was found that (137)Cs activity concentration ranged from 27 to 775 Bq kg(-1) with for soil, from 29 to 879 Bq kg(-1) for lichen and from 67 to 1396 Bq kg(-1) for moss samples. Annual effective doses due to the naturally occurring radionuclides and (137)CS were estimated. Ecological half-lives of (137)CS in lichen and moss species were estimated. The decrease of the activity concentrations in the present measurements (2007) relative to those in 1993 indicated ecological half-lives between 1.36 and 2.96 years for lichen and between 1.35 and 2.85 years for moss species. (C) 2008 Elsevier B.V. All rights reserved. |
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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 |
000263149400019 |
Publication Date |
2008-05-10 |
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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 |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:94562 |
Serial |
8296 |
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| Permanent link to this record |
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Author |
Schalm, O.; Anaf, W.; Callier, J.; Leyva Pernia, D. |
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| |
Title |
New generation monitoring devices for heritage guardians to detect multiple events and hazards |
Type |
P1 Proceeding |
| |
Year |
2018 |
Publication |
IOP conference series : materials science and engineering |
Abbreviated Journal |
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| |
Volume |
364 |
Issue |
|
Pages |
Unsp 012056-9 |
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| |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Art; History; Antwerp Systems and software Modelling (AnSyMo); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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Abstract |
Environmental parameters such as temperature, relative humidity, visible light, UV radiation and pollution influence the deterioration rate of heritage items. To judge on the environmental appropriateness for heritage conservation, it is therefore important to monitor the environment. Often, an incomplete set of environmental parameters is measured, or sporadic or time-averaged measurements are performed. As a result, a wide range of undesirable situations and hazards remain unnoticed. This might lead to an underestimation of environmental dangers (i.e., inaccurate judgement) or to inappropriate mitigation measures (i.e., inaccurate decision making). We present an innovative and user-friendly monitoring device that simultaneously and continuously measures (1) environmental parameters and (2) material behavior. An extended combination of off-the-shelf sensors for temperature, relative humidity, air speed, CO2, NO2, O-3 and particulate matter are connected to a multipurpose datalogger. In-house developed sensors for the shrinkage and expansion behavior of wood, as well as sensors for metal corrosion rates are connected to the same datalogger. Such extended monitoring shows the identification of a wider range of undesirable situations, and it facilitates the search for correlations between such situations and the sources that cause them, i.e., the hazards. |
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000452025100056 |
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2018-06-18 |
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1757-8981; 1757-899x |
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UA library record; WoS full record; WoS citing articles |
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UA @ admin @ c:irua:151825 |
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8298 |
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