|
Records |
|
Author |
Kahraman, Z.; Baskurt, M.; Yagmurcukardes, M.; Chaves, A.; Sahin, H. |
|
Title |
Stable Janus TaSe₂ single-layers via surface functionalization |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
538 |
Issue |
|
Pages |
148064 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
First-principles calculations are performed in order to investigate the formation of Janus structures of single layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000595860900001 |
Publication Date |
2020-10-16 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
|
Open Access |
Not_Open_Access |
|
Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). HS acknowledges support from Turkiye Bilimler Akademisi -Turkish Academy of Sciences under the GEBIP program. This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; |
Approved |
Most recent IF: 3.387 |
|
Call Number |
UA @ admin @ c:irua:174964 |
Serial |
6699 |
Permanent link to this record |
|
|
|
|
Author |
Van Dijck, J.G.; Mampuys, P.; Ching, H.Y.V.; Krishnan, D.; Baert, K.; Hauffman, T.; Verbeeck, J.; Van Doorslaer, S.; Maes, B.U.W.; Dorbec, M.; Buekenhoudt, A.; Meynen, V. |
|
Title |
Synthesis – properties correlation and the unexpected role of the titania support on the Grignard surface modification |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
527 |
Issue |
|
Pages |
146851-17 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT) |
|
Abstract |
While the impact of reaction conditions on surface modification with Grignard reactants has been studied for silica supports, such information is absent for metal oxides like titania. Differences between modified titania and silica are observed, making it paramount to explore the reaction mechanism. A detailed study on the impact of the reaction conditions is reported, with a focus on the chain length of the alkyl Grignard reactant, its concentration, the reaction time and temperature, and the type of titania support. While the increase in the chain length reduces the amount of organic groups on the surface, the concentration, time and temperature show little/no influence on the modification degree. However, the type of titania support used and the percentage of amorphous phase present has a significant impact on the amount of grafted groups. Even though the temperature and concentration show no clear impact on the modification degree, they can cause changes in the surface hydroxyl population, which are thus not linked to the modification degree. Furthermore, the titania support is reduced during functionalization. This reduction dependents on the reaction temperature, the titania support and the chain length of the Grignard reactant. Similarly, this reduction is not linked to the modification degree. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000564205300003 |
Publication Date |
2020-06-03 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
6.7 |
Times cited |
5 |
Open Access |
OpenAccess |
|
Notes |
; The FWO (Fonds Wetenschappelijk Onderzoek) is gratefully acknowledged for the VITO-FWO grant of fellow Jeroen G. Van Dijck (11W9416N) and the financial support granted in project GO12712N. The E.U. is acknowledged for H.Y. Vincent Ching's H2020-MSCA-IF (grant number 792946, iSPY). Dileep Krishnan and Johan Verbeeck acknowledge funding from GOA project “solarpaint” of the University of Antwerp. ; |
Approved |
Most recent IF: 6.7; 2020 IF: 3.387 |
|
Call Number |
UA @ admin @ c:irua:169722 |
Serial |
6712 |
Permanent link to this record |
|
|
|
|
Author |
Volykhov, A.A.; Frolov, A.S.; Neudachina, V.S.; Vladimirova, N.V.; Gerber, E.; Callaert, C.; Hadermann, J.; Khmelevsky, N.O.; Knop-Gericke, A.; Sanchez-Barriga, J.; Yashina, L.V. |
|
Title |
Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi₂SeTe₂ and Sb₂SeTe₂ |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
541 |
Issue |
|
Pages |
148490 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Three-dimensional topological insulators are exotic materials with unique properties. Tetradymite type binary chalcogenides of bismuth and antimony, as well as their mixed crystals, belong to prototypical TIs. Potential device applications of these materials require in-depth knowledge of their stability in the ambient atmosphere and other media maintained during their processing. Here we investigated the reactivity of mixed crystals with anion substitution, Bi-2(Se1-xTex)(3) and Sb2(Se1-xTex)(3), towards molecular oxygen using both in situ and ex situ X-ray photoelectron spectroscopy. The results indicate that, in contrast to cation substitution, partial substitution of tellurium by selenium atoms leads to anomalously high surface reactivity, which even exceeds that of the most reactive binary constituent. We attribute this effect to anion ordering that essentially modifies the bond geometry, especially the respective bond angles as modeled by DFT. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000608492900003 |
Publication Date |
2020-11-18 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
|
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 3.387 |
|
Call Number |
UA @ admin @ c:irua:176067 |
Serial |
6728 |
Permanent link to this record |
|
|
|
|
Author |
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Ziabari, A.A.; Khatibani, A.B.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. |
|
Title |
Adsorption of habitat and industry-relevant molecules on the MoSi₂N₄ monolayer |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
564 |
Issue |
|
Pages |
150326 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
The adsorption of various environmental gas molecules, including H-2, N-2, CO, CO2, O-2, NO, NO2, SO2 H2O, H2S, NH3 and CH4, on the surface of the recently synthesized two dimensional MoSi2N4 (MSN) monolayer has been investigated by means of spin-polarized first-principles calculations. The most stable adsorption configuration, adsorption energy, and charge transfer have been computed. Due to the weak interaction between molecules studied with the MSN monolayer surface, the adsorption energy is small and does not yield any significant distortion of the MSN lattice, i.e., the interaction between the molecules and MSN monolayer surface is physisorption. We find that all molecules are physisorbed on the MSM surface with small charge transfer, acting as either charge acceptors or donors. The MSN monolayer is a semiconductor with an indirect band gap of 1.79 eV. Our theoretical estimations reveal that upon adsorption of H-2, N-2, CO, CO2, NO, H2O, H2S, NH3 and CH4 molecules, the semiconducting character of MSN monolayer is preserved and the band gap value is decreased to similar to 1.5 eV. However, the electronic properties of the MSN monolayer can be significantly altered by adsorption of O-2, NO and SO2, and a spin polarization with magnetic moments of 2, 1, 2 mu(B), respectively, can be introduced. Furthermore, we demonstrate that the band gap and the magnetic moment of adsorbed MSN monolayer can be significantly modulated by the concentration of NO and SO2 molecules. As the concentration of NO2 molecule increases, the magnetic moment increase from 1 mu(B) to 2 and 3 mu(B). In the case of the SO2 molecule with increasing of concentration, the band gap decreases from 1.2 eV to 1.1 and 0.9 eV. Obviously, our theoretical studies indicate that MSN monolayer-based sensor has a high application potential for O-2, NO, NO2 and SO2 detection. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000675534500002 |
Publication Date |
2021-06-21 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
|
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 3.387 |
|
Call Number |
UA @ admin @ c:irua:180421 |
Serial |
6970 |
Permanent link to this record |
|
|
|
|
Author |
Yayak, Y.O.; Sozen, Y.; Tan, F.; Gungen, D.; Gao, Q.; Kang, J.; Yagmurcukardes, M.; Sahin, H. |
|
Title |
First-principles investigation of structural, Raman and electronic characteristics of single layer Ge3N4 |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
572 |
Issue |
|
Pages |
151361 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
By means of density functional theory-based first-principle calculations, the structural, vibrational and electronic properties of single-layer Ge3N4 are investigated. Structural optimizations and phonon band dispersions reveal that single-layer ultrathin form of Ge3N4 possesses a dynamically stable buckled structure with large hexagonal holes. Predicted Raman spectrum of single-layer Ge3N4 indicates that the buckled holey structure of the material exhibits distinctive vibrational features. Electronic band dispersion calculations indicate the indirect band gap semiconducting nature of single-layer Ge3N4. It is also proposed that single-layer Ge3N4 forms type-II vertical heterostructures with various planar and puckered 2D materials except for single-layer GeSe which gives rise to a type-I band alignment. Moreover, the electronic properties of single-layer Ge3N4 are investigated under applied external in-plane strain. It is shown that while the indirect gap behavior of Ge3N4 is unchanged by the applied strain, the energy band gap increases (decreases) with tensile (compressive) strain. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000723664000006 |
Publication Date |
2021-10-01 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
6.7 |
Times cited |
|
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 6.7 |
|
Call Number |
UA @ admin @ c:irua:184752 |
Serial |
6993 |
Permanent link to this record |
|
|
|
|
Author |
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Khatibani, A.B.; Ziabari, A. abdolahzadeh; Ghergherehchi, M.; Nedaei, S.; Shayesteh, S.F.; Gogova, D. |
|
Title |
Tunable electronic and magnetic properties of MoSi₂N₄ monolayer via vacancy defects, atomic adsorption and atomic doping |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Applied Surface Science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
559 |
Issue |
|
Pages |
149862 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
The two dimensional MoSi2N4 (MSN) monolayer exhibiting rich physical and chemical properties was synthesized for the first time last year. We have used the spin-polarized density functional theory to study the effect of different types of point defects on the structural, electronic, and magnetic properties of the MSN monolayer. Adsorbed, substitutionally doped (at different lattice sites), and some kind of vacancies have been considered as point defects. The computational results show all defects studied decrease the MSN monolayer band gap. We found out the H-, O-, and P-doped MSN are n-type conductors. The arsenic-doped MSN, and MSN with vacancy defects have a magnetic moment. The MSN with a Si vacancy defect is a half-metallic which is favorable for spintronic applications, while the MSN with a single N vacancy or double vacancy (N + S) defects are metallic, i. e., beneficial as spin filters and chemical sensors. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000655645300001 |
Publication Date |
2021-05-01 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 3.387 |
|
Call Number |
UA @ admin @ c:irua:179098 |
Serial |
7038 |
Permanent link to this record |
|
|
|
|
Author |
Nematollahi, P. |
|
Title |
Selectivity of Mo-NC sites for electrocatalytic N₂ reduction : a function of the single atom position on the surface and local carbon topologies |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Applied surface science |
Abbreviated Journal |
|
|
Volume |
612 |
Issue |
|
Pages |
155908-155909 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Transition metal (TM) doped two-dimensional single-atom catalysts are known as a promising class of catalysts for electrocatalytic gas conversion. However, the detailed mechanisms that occur at the surface of these catalysts are still unknown. In the present work, we simulate three Mo-doped nitrogenated graphene structures. In each catalyst, the position of the Mo active site and the corresponding local carbon topologies are different, i.e. MoN4C10 with in-plane Mo atom, MoN4C8 in which Mo atom bridges two adjacent armchair-like graphitic edges, and MoN2C3 in which Mo is doped at the edge of the graphene sheet. Using Density Functional Theory (DFT) calculations we discuss the electrocatalytic activity of Mosingle bondNsingle bondC structures for nitrogen reduction reaction (NRR) with a focus on unraveling the corresponding mechanisms concerning different Mo site positions and C topologies. Our results indicate that the position of the active site centers has a great effect on its electrocatalytic behavior. The gas phase N2 efficiently reduces to ammonia on MoN4C8 via the distal mechanism with an onset potential of −0.51 V. We confirm that the proposed pyridinic structure, MoN4C8, can catalyze NRR effectively with a low overpotential of 0.35 V. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000901469900003 |
Publication Date |
2022-11-30 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
6.7 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 3.387 |
|
Call Number |
UA @ admin @ c:irua:192430 |
Serial |
7275 |
Permanent link to this record |
|
|
|
|
Author |
Li, C.-F.; Chen, L.-D.; Wu, L.; Liu, Y.; Hu, Z.-Y.; Cui, W.-J.; Dong, W.-D.; Liu, X.; Yu, W.-B.; Li, Y.; Van Tendeloo, G.; Su, B.-L. |
|
Title |
Directly revealing the structure-property correlation in Na+-doped cathode materials |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Applied surface science |
Abbreviated Journal |
|
|
Volume |
612 |
Issue |
|
Pages |
155810-10 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The introduction of Na+ is considered as an effective way to improve the performance of Ni-rich cathode materials. However, the direct structure-property correlation for Na+ doped NCM-based cathode materials remain unclear, due to the difficulty of local and accurate structural characterization for light elements such as Li and Na. Moreover, there is the complexity of the modeling for the whole Li ion battery (LIB) system. To tackle the above-mentioned issues, we prepared Na+-doped LiNi0.6Co0.2Mn0.2O2 (Na-NCM622) material. The crystal structure change and the lattice distortion with picometers precision of the Na+-doped material is revealed by Cs-corrected scanning transmission electron microscopy (STEM). Density functional theory (DFT) and the recently proposed electrochemical model, i.e., modified Planck-Nernst-Poisson coupled Frumkin-Butler-Volmer (MPNP-FBV), has been applied to reveal correlations between the activation energy and the charge transfer resistance at multiscale. It is shown that Na+ doping can reduce the activation energy barrier from. G = 1.10 eV to 1.05 eV, resulting in a reduction of the interfacial resistance from 297 O to 134 Omega. Consequently, the Na-NCM622 cathode delivers a superior capacity retention of 90.8 % (159 mAh.g(-1)) after 100 cycles compared to the pristine NCM622 (67.5 %, 108 mAh.g(-1)). Our results demonstrate that the kinetics of Li+ diffusion and the electrochemical reaction can be enhanced by Na+ doping the cathode material. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000892940300001 |
Publication Date |
2022-11-23 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
6.7 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 3.387 |
|
Call Number |
UA @ admin @ c:irua:192758 |
Serial |
7296 |
Permanent link to this record |
|
|
|
|
Author |
Benedet, M.; Andrea Rizzi, G.; Gasparotto, A.; Gauquelin, N.; Orekhov, A.; Verbeeck, J.; Maccato, C.; Barreca, D. |
|
Title |
Functionalization of graphitic carbon nitride systems by cobalt and cobalt-iron oxides boosts solar water oxidation performances |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Applied surface science |
Abbreviated Journal |
|
|
Volume |
618 |
Issue |
|
Pages |
156652 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The ever-increasing energy demand from the world population has made the intensive use of fossil fuels an overarching threat to global environment and human health. An appealing alternative is offered by sunlight-assisted photoelectrochemical water splitting to yield carbon-free hydrogen fuel, but kinetic limitations associated to the oxygen evolution reaction (OER) render the development of cost-effective, eco-friendly and stable electrocatalysts an imperative issue. In the present work, OER catalysts based on graphitic carbon nitride (g-C3N4) were deposited on conducting glass substrates by a simple decantation procedure, followed by functionalization with low amounts of nanostructured CoO and CoFe2O4 by radio frequency (RF)-sputtering, and final annealing under inert atmosphere. A combination of advanced characterization tools was used to investigate the interplay between material features and electrochemical performances. The obtained results highlighted the formation of a p-n junction for the g-C3N4-CoO system, whereas a Z-scheme junction accounted for the remarkable performance enhancement yielded by g-C3N4-CoFe2O4. The intimate contact between the system components also afforded an improved electrocatalyst stability in comparison to various bare and functionalized g-C3N4-based systems. These findings emphasize the importance of tailoring g-C3N4 chemico-physical properties through the dispersion of complementary catalysts to fully exploit its applicative potential. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000950654300001 |
Publication Date |
2023-02-04 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
6.7 |
Times cited |
11 |
Open Access |
OpenAccess |
|
Notes |
The authors gratefully acknowledge financial support from CNR (Progetti di Ricerca @CNR – avviso 2020 – ASSIST), Padova University (P-DiSC#04BIRD2020-UNIPD EUREKA, DOR 2020–2022), AMGA Foundation (NYMPHEA project), INSTM Consortium (INSTM21PDGASPAROTTO – NANOMAT, INSTM21PDBARMAC – ATENA) and the European Union's Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3. The FWO-Hercules fund G0H4316N 'Direct electron detector for soft matter TEM' is also acknowledged. Many thanks are due to Prof. Luca Gavioli (Università Cattolica del Sacro Cuore, Brescia, Italy) and Dr. Riccardo Lorenzin (Department of Chemical Sciences, Padova University, Italy) for their invaluable technical support.; esteem3reported; esteem3TA |
Approved |
Most recent IF: 6.7; 2023 IF: 3.387 |
|
Call Number |
EMAT @ emat @c:irua:196150 |
Serial |
7376 |
Permanent link to this record |
|
|
|
|
Author |
Siriwardane, E.M.D.; Karki, P.; Sevik, C.; Cakir, D. |
|
Title |
Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Applied surface science |
Abbreviated Journal |
|
|
Volume |
458 |
Issue |
|
Pages |
762-768 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
In this study, we predicted two new stable metallic Re-C based monolayer structures with a rectangular (r-ReC2) and a hexagonal (h-Re2C) crystal symmetry using first-principle calculations based on density functional theory. Our results obtained from mechanical and phonon calculations and high-temperature molecular dynamic simulations clearly proved the stability of these two-dimensional (2D) crystals. Interestingly, Re-C monolayers in common transition metal carbide structures (i.e. MXenes) were found to be unstable, contrary to expectations. We found that the stable structures, i.e. r-ReC2 and h-Re2C, display superior mechanical properties over the well-known 2D materials. The Young's modulus for r-ReC2 and h-Re2C are extremely high and were calculated as 351 (1310) and 617 (804) N/m (GPa), respectively. Both materials have larger Young's modulus values than the most of the well-known 2D materials. We showed that the combination of the short strong directional p-d bonds, the high coordination number of atoms in the unit-cell and high valence electron density result in strong mechanical properties. Due to its crystal structure, the r-ReC2 monolayer has anisotropic mechanical properties and the crystallographic direction parallel to the C-2 dimers is stiffer compared to perpendicular direction due to strong covalent bonding within C-2 dimers. h-Re2C was derived from the corresponding bulk structure for which we determined the critical thickness for the dynamically stable bulk-derived monolayer structures. In addition, we also investigated the electronic of these two stable structures. Both exhibit metallic behavior and Re-5d orbitals dominate the states around the Fermi level. Due to their ultra high mechanical stability and stiffness, these novel Re-C monolayers can be exploited in various engineering applications. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000441400000088 |
Publication Date |
2018-07-11 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:193776 |
Serial |
7875 |
Permanent link to this record |
|
|
|
|
Author |
Adriaensen, L.; Vangaever, F.; Gijbels, R. |
|
Title |
A comparative study of carbocyanine dyes measured with TOF-SIMS and other mass spectrometric techniques |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
231/232 |
Issue |
|
Pages |
348-352 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000222427700067 |
Publication Date |
2004-04-29 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
7 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2004 IF: 1.497 |
|
Call Number |
UA @ lucian @ c:irua:46802 |
Serial |
420 |
Permanent link to this record |
|
|
|
|
Author |
Ignatova, V.A.; Conard, T.; Möller, W.; Vandervorst, W.; Gijbels, R. |
|
Title |
Depth profiling of ZrO2/SiO2/Si stacks : a TOF-SIMS and computer simulation study |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
231/232 |
Issue |
|
Pages |
603-608 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
This study is dedicated to a better understanding of the processes occurring under ion bombardment of ultra-thin ZrO2/SiO2/Si gate dielectric stacks. Complex-shaped depth profiles were obtained by using TOF-SIMS with dual beam (500 eV for sputtering and 10 keV for analysis) Ar+ ions. The SIMS intensities of all the elements depend critically on the amount of oxygen at any moment of the sputtering process. Increased intensity is observed at the surface and at the ZrO2/SiO2 interface. A long tail of the Zr signal is present in the Si substrate, even after the second (SiO2/Si) interface, and a double bump structure in the Zr-90 and ZrO dimer is observed, which is more pronounced with increasing thickness of the interfacial SiO2 layer. Computer simulations using the dynamic Monte Carlo code (TRIDYN) are performed in order to distinguish the ion bombardment-induced effects from changes in the ionization degree. The original code is extended with simple models for the ionization mechanism and for the molecular yield during sputtering. Oxygen preferential sputtering at the surface and ballistic transport of Zr towards and through the interface are clearly demonstrated, but there is also evidence that due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. (C) 2004 Elsevier B.V. All rights reserved. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000222427700118 |
Publication Date |
2004-05-30 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
4 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2004 IF: 1.497 |
|
Call Number |
UA @ lucian @ c:irua:51976 |
Serial |
651 |
Permanent link to this record |
|
|
|
|
Author |
Frangis, N.; Van Tendeloo, G.; van Landuyt, J.; Muret, P.; Nguyen, T.T.A. |
|
Title |
Electron microscopy characterisation of erbium silicide-thin films grown on a Si(111) substrate |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
102 |
Issue |
|
Pages |
163-168 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1996VJ86100037 |
Publication Date |
2003-05-12 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.711 |
Times cited |
9 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:15458 |
Serial |
953 |
Permanent link to this record |
|
|
|
|
Author |
de Mondt, R.; Adriaensen, L.; Vangaever, F.; Lenaerts, J.; van Vaeck, L.; Gijbels, R. |
|
Title |
Empirical evaluation of metal deposition for the analysis of organic compounds with static secondary ion mass spectrometry (S-SIMS) |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
252 |
Issue |
19 |
Pages |
6652-6655 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000240609900063 |
Publication Date |
2006-05-05 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
9 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2006 IF: 1.436 |
|
Call Number |
UA @ lucian @ c:irua:58812 |
Serial |
1034 |
Permanent link to this record |
|
|
|
|
Author |
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
|
Title |
First-principles electronic functionalization of silicene and germanene by adatom chemisorption |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
291 |
Issue |
|
Pages |
104-108 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
This study presents first-principles results on the electronic functionalization of silicene and germanene monolayers by means of chemisorption of adatom species H, Li, F, Sc, Ti, V. Three general adatom-monolayer configurations are considered, each having its distinct effect on the electronic structure, yielding metallic or semiconducting dispersions depending on the adatom species and configuration. The induced bandgap is a (in)direct F gap ranging from 0.2 to 2.3 eV for both silicene and germanene. In general the alternating configuration was found to be the most energetically stable. The boatlike and chairlike conformers are degenerate with the former having anisotropic effective carrier masses. The top configuration leads to the planar monolayer and predominately to a gapped dispersion. The hollow configuration with V adatoms retains the Dirac cone, but with strong orbital planar hybridization at the Fermi level. We also observe a planar surface state the Fermi level for the latter systems. (C) 2013 Elsevier B.V. All rights reserved. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000329327700023 |
Publication Date |
2013-09-17 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
32 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
|
Call Number |
UA @ lucian @ c:irua:113766 |
Serial |
1208 |
Permanent link to this record |
|
|
|
|
Author |
Kaltsas, G.; Travlos, A.; Nassiopoulos, A.G.; Frangis, N.; van Landuyt, J. |
|
Title |
High crystalline quality erbium silicide films on (100) silicon grown in high vacuum |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
102 |
Issue |
|
Pages |
151-155 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1996VJ86100034 |
Publication Date |
2003-05-12 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.711 |
Times cited |
14 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:15459 |
Serial |
1423 |
Permanent link to this record |
|
|
|
|
Author |
Lenaerts, J.; Gijbels, R.; van Vaeck, L.; Verlinden, G.; Geuens, I. |
|
Title |
Imaging TOF-SIMS for the surface analysis of silver halide microcrystals |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
203/204 |
Issue |
|
Pages |
614-619 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000180527300138 |
Publication Date |
2002-12-30 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
7 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2003 IF: 1.284 |
|
Call Number |
UA @ lucian @ c:irua:51974 |
Serial |
1556 |
Permanent link to this record |
|
|
|
|
Author |
de Witte, H.; Conard, T.; Vandervorst, W.; Gijbels, R. |
|
Title |
Ion-bombardment artifact in TOF-SIMS analysis of ZrO2/SiO2/Si stacks |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
203 |
Issue |
|
Pages |
523-526 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
We analyzed ultra-thin ZrO2/SiO2/Si gate dielectrics under post-deposition anneals in dry O-2 at temperatures from 500 to 700 degreesC. TOF-SIMS profiling of ZrO2/SiO2/Si stacks is hampered by many sputter induced artifacts. The depletion of oxygen leads to a decrease in SIMS intensities. However, preferential sputtering is accompanied by transport of the depleted species towards the surface. Due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. Either normal or radiation-enhanced diffusion transports oxygen back to the surface. Simultaneously also segregation of zirconium towards and through the interface is observed, resulting in a large zirconium tail in the underlying silicon substrate. (C) 2002 Elsevier Science B.V. All rights reserved. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000180527300119 |
Publication Date |
2002-12-30 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
15 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2003 IF: 1.284 |
|
Call Number |
UA @ lucian @ c:irua:51975 |
Serial |
1743 |
Permanent link to this record |
|
|
|
|
Author |
Adriaensen, L.; Vangaever, F.; Gijbels, R. |
|
Title |
Organic SIMS: the influence of time on the ion yield enhancement by silver and gold deposition |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
231/232 |
Issue |
|
Pages |
256-260 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000222427700049 |
Publication Date |
2004-04-28 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
10 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2004 IF: 1.497 |
|
Call Number |
UA @ lucian @ c:irua:46804 |
Serial |
2510 |
Permanent link to this record |
|
|
|
|
Author |
Muret, P.; Nguyen, T.T.A.; Frangis, N.; Van Tendeloo, G.; van Landuyt, J. |
|
Title |
Photoelectric and electrical responses of several erbium silicide/silicon interfaces |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Applied surface science
T2 – International Symposium on Si Heterostructures – From Physics to Devices, SEP 11-14, 1995, IRAKLION, GREECE |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
102 |
Issue |
|
Pages |
173-177 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
In this work, photoelectric yield and electrical properties of several types of epitaxial erbium silicide on silicon Schottky diodes are studied, Different preparation conditions are used simultaneously on n- and p-Si(111) substrates for the 200 Angstrom thick silicide films. A last type of sample consists in 1.3 monolayer of epitaxial silicide with root 3 X root 3 superstructure on the Si substrate and covered by silver on the top. Photocurrent measurements are done as a function of photon energy at several temperatures. All these samples show barrier heights near 1 eV on p-type Si, even for the interface comprising only 1.3 monolayer of silicide whereas barrier heights on n-rype Si span the range from 0.28 to 0.67 eV for this last kind of sample, the sum of the barriers always exceeding the silicon band gap, These photoelectric results are confirmed by electrical characterisations, All these results show that the Fermi level is pinned 0.1 eV below the conduction band edge on p-type Si but shifts to various positions lower within the band gap on n-type Si. This fact leads to the hypothesis of a density of -7 interface states close to the charge change in the Si depletion zone from p- to n-type, namely 10(12) eV(-1) cm(-2). Although some inhomogeneities and defects at the interface are detected by electron microscopy for samples annealed at 750 degrees C, Fermi level position seems rather insensitive to the structural details of the interface while the silicide thickness plays a role on n-type Si. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1996VJ86100039 |
Publication Date |
2003-05-12 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.711 |
Times cited |
3 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:104392 |
Serial |
2611 |
Permanent link to this record |
|
|
|
|
Author |
Vanhellemont, J.; Maes, H.E.; Schaekers, M.; Armigliato, A.; Cerva, H.; Cullis, A.; de Sande, J.; Dinges, H.; Hallais, J.; Nayar, V.; Pickering, C.; Stehlé, J.L.; Van Landuyt, J.; Walker, C.; Werner, H.; Salieri, P.; |
|
Title |
Round-robin investigation of silicon-oxide on silicon reference materials for ellipsometry |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Applied surface science
T2 – SYMP ON DIAGNOSTIC TECHNIQUES FOR SEMICONDUCTOR MATERIALS ANALYSIS AND, FABRICATION PROCESS CONTROL, AT THE 1992 SPRING CONF OF THE EUROPEAN, MATERIALS RESEARCH SOC, JUN 02-05, 1992, STRASBOURG, FRANCE |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
63 |
Issue |
1-4 |
Pages |
45-51 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The main results and conclusions are presented of a round robin study of silicon oxide on silicon reference samples for ellipsometry. The oxide films with nominal thicknesses of 10, 50 and 120 nm are grown by thermal oxidation. The oxide film thicknesses have been determined by single wavelength ellipsometry (SWE), by spectroscopic ellipsometry (SE) and by cross-sectional conventional and high-resolution transmission electron microscopy (TEM and HREM) in different laboratories. The main conclusions are that special precautions have to be taken in order to use TEM as a reliable thickness measurement technique; that single wavelength ellipsometry can be used with great accuracy and reproducibility for the 50 and 120 nm film thicknesses but that it shows some inherent problems for the 10 nm films; and that spectroscopic ellipsometry showed for all film thicknesses an accuracy and reproducibility which is clearly superior to that of SWE. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1993KF03400009 |
Publication Date |
2002-10-16 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.711 |
Times cited |
13 |
Open Access |
|
|
Notes |
|
Approved |
|
|
Call Number |
UA @ lucian @ c:irua:104539 |
Serial |
2932 |
Permanent link to this record |
|
|
|
|
Author |
Adriaensen, L.; Vangaever, F.; Lenaerts, J.; Gijbels, R. |
|
Title |
S-SIMS and MetA-SIMS study of organic additives in thin polymer coatings |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
252 |
Issue |
19 |
Pages |
6628-6631 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000240609900057 |
Publication Date |
2006-06-20 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
3 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2006 IF: 1.436 |
|
Call Number |
UA @ lucian @ c:irua:60083 |
Serial |
2937 |
Permanent link to this record |
|
|
|
|
Author |
Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.; |
|
Title |
Theoretical aspects of graphene-like group IV semiconductors |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
291 |
Issue |
|
Pages |
98-103 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000329327700022 |
Publication Date |
2013-09-18 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
20 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
|
Call Number |
UA @ lucian @ c:irua:113765 |
Serial |
3603 |
Permanent link to this record |
|
|
|
|
Author |
Scalise, E.; Cinquanta, E.; Houssa, M.; van den Broek, B.; Chiappe, D.; Grazianetti, C.; Pourtois, G.; Ealet, B.; Molle, A.; Fanciulli, M.; Afanas’ev, V.V.; Stesmans, A.; |
|
Title |
Vibrational properties of epitaxial silicene layers on (111) Ag |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
Volume |
291 |
Issue |
|
Pages |
113-117 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 x 4), (root 13 x root 13) and (2 root 3 x 2 root 3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag( 1 1 1). (C) 2013 Elsevier B.V. All rights reserved. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000329327700025 |
Publication Date |
2013-09-01 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.387 |
Times cited |
36 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
|
Call Number |
UA @ lucian @ c:irua:113767 |
Serial |
3843 |
Permanent link to this record |
|
|
|
|
Author |
Ramesh, R.; Subramanian, V.; Van Grieken, R. |
|
Title |
Heavy metal distribution in sediments of Krishna River basin, India |
Type |
A1 Journal article |
|
Year |
1990 |
Publication |
Environmental geology and water sciences |
Abbreviated Journal |
|
|
Volume |
15 |
Issue |
|
Pages |
207-216 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
|
Publication Date |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0177-5146 |
ISBN |
|
Additional Links |
UA library record |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:116933 |
Serial |
8022 |
Permanent link to this record |
|
|
|
|
Author |
Biksham, G.; Subramanian, V.; Ramanathan, A.; Van Grieken, R. |
|
Title |
Heavy metal distribution in the Godavari river basin |
Type |
A1 Journal article |
|
Year |
1991 |
Publication |
Environmental geology and water sciences |
Abbreviated Journal |
|
|
Volume |
17 |
Issue |
|
Pages |
117-126 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
|
Publication Date |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0177-5146 |
ISBN |
|
Additional Links |
UA library record |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:55571 |
Serial |
8023 |
Permanent link to this record |
|
|
|
|
Author |
Dasgupta, N.; Borah, R.; Mishra, P.; Gupta, A.K.; Chhabra, R.P. |
|
Title |
Combined effects of blockage and yield stress on drag and heat transfer from an in-line array of three spheres |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Journal of dispersion science and technology |
Abbreviated Journal |
|
|
Volume |
40 |
Issue |
6 |
Pages |
855-873 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
Abstract |
This work reports results on the drag and heat transfer from an in-line array of three isothermal spheres falling in a cylindrical confinement filled with Bingham plastic fluids. The effects of dimensionless parameters, such as the Reynolds number (1 ≤ Re ≤ 100), Prandtl number (1 ≤ Pr ≤ 100), Bingham number (0 ≤ Bn ≤ 100), blockage ratio (2 ≤ β ≤ 4) and sphere-to-sphere distance (1.5 ≤ t ≤ 6) have been elucidated. The flow and heat transfer characteristics were analysed in terms of yielded/unyielded regions, streamline and isotherm contours, drag coefficient, pressure coefficient, and local and average Nusselt number. Broadly, the drag coefficient shows a positive dependence on Bn and sphere-to-sphere distance (t) while it exhibits an inverse dependence on Re and β. On the other hand, the Nusselt number shows a positive dependence on Re, Pr, Bn and β; and a complex dependence on t for each sphere. Simple predictive expressions for the average Nusselt number for each sphere are formulated, thereby enabling its prediction in a new application. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000467844200010 |
Publication Date |
2018-12-01 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0193-2691 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:190865 |
Serial |
7680 |
Permanent link to this record |
|
|
|
|
Author |
Maistrenko, Y.L.; Vasylenko, A.; Sudakov, O.; Levchenko, R.; Maistrenko, V.L. |
|
Title |
Cascades of multiheaded chimera states for coupled phase oscillators |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
International journal of bifurcation and chaos in applied sciences and engineering |
Abbreviated Journal |
Int J Bifurcat Chaos |
|
Volume |
24 |
Issue |
8 |
Pages |
1440014 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
Abstract |
Chimera state is a recently discovered dynamical phenomenon in arrays of nonlocally coupled oscillators, that displays a self-organized spatial pattern of coexisting coherence and incoherence. We discuss the appearance of the chimera states in networks of phase oscillators with attractive and with repulsive interactions, i.e. when the coupling respectively favors synchronization or works against it. By systematically analyzing the dependence of the spatiotemporal dynamics on the level of coupling attractivity/repulsivity and the range of coupling, we uncover that different types of chimera states exist in wide domains of the parameter space as cascades of the states with increasing number of intervals of irregularity, so-called chimera's heads. We report three scenarios for the chimera birth: (1) via saddle-node bifurcation on a resonant invariant circle, also known as SNIC or SNIPER, (2) via blue-sky catastrophe, when two periodic orbits, stable and saddle, approach each other creating a saddle-node periodic orbit, and (3) via homoclinic transition with complex multistable dynamics including an “eight-like” limit cycle resulting eventually in a chimera state. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Singapore |
Editor |
|
|
Language |
|
Wos |
000341494900015 |
Publication Date |
2014-08-29 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0218-1274;1793-6551; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.329 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.329; 2014 IF: 1.078 |
|
Call Number |
UA @ lucian @ c:irua:119303 |
Serial |
285 |
Permanent link to this record |
|
|
|
|
Author |
Subramanian, V.; Van 't dack, L.; Van Grieken, R. |
|
Title |
Preliminary studies on the geochemistry of the Cauvery river basin |
Type |
A1 Journal article |
|
Year |
1985 |
Publication |
Proceedings of the Indian Academy of Sciences: earth and planetary sciences |
Abbreviated Journal |
|
|
Volume |
94 |
Issue |
2 |
Pages |
99-110 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
Samples of water and sediments were collected over a three year period from the entire region of Cauvery river basin excluding the estuary. On the basis of our observations, we have calculated the average composition of the Cauvery river at several locations from the catchment to the river mouth, the downstream profile of sediment load, annual erosion rates, solute and sediment fluxes and have predicted on long term changes. The sediment chemistry was determined by x-ray fluorescence (xrf) technique, and calculated mean compositions of the Cauvery and its tributary bed and the suspended sediment were compared to those of world average river sediments. Downstream profiles of some of the elements appear to be controlled by size and mineralogical characteristics besides local factors specific to the location of the samples. Interelemental relationships indicated good correlation among the transition elements indicating their co-genetic behaviour within the drainage basin. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
A1985ARL3300004 |
Publication Date |
2010-08-25 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0253-4126 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:111503 |
Serial |
8410 |
Permanent link to this record |
|
|
|
|
Author |
Romano-Rodriguez, A.; Perez-Rodriguez, A.; Serre, C.; van Landuyt, J.; et al. |
|
Title |
Epitaxial growth of \beta-SiC on ion-beam synthesized \beta-SiC : structural characterization |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
Materials science forum
T2 – International Conference on Silicon Carbide and Related Materials, OCT 10-15, 1999, RES TRIANGLE PK, NORTH CAROLINA |
Abbreviated Journal |
Mater Sci Forum |
|
Volume |
338-3 |
Issue |
|
Pages |
309-312 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
In this work we present for the first time, to our knowledge, the CVD epitaxial growth of beta -SiC using an ion beam synthesized (IBS) beta -SiC layer as seed, which has been formed by multiple implantation into Si wafers at 500 degreesC. The ion beam synthesized continuous layer is constituted by beta -SiC nanocrystals that are well oriented relative to the silicon substrate. Comparison of the epitaxial growth on these samples with that on silicon test samples, both on and off-axis, is performed. The results show that the epitaxial growth can be achieved on the IBS samples without the need of the carbonization step and that the structural quality of the CVD layer is comparable to that obtained on a carbonized silicon sample. Improvement of the quality of the deposited layer is proposed. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
Trans tech publications ltd |
Place of Publication |
Zurich-uetikon |
Editor |
|
|
Language |
|
Wos |
000165996700075 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0255-5476 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
Call Number |
UA @ lucian @ c:irua:104262 |
Serial |
1071 |
Permanent link to this record |