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Records |
|
Author |
Govaerts, K.; Partoens, B.; Lamoen, D. |
| |
Title |
Extended homologous series of Sn–O layered systems: A first-principles study |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| |
Volume |
243 |
Issue |
243 |
Pages |
36-43 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| |
Abstract |
Apart from the most studied tin-oxide compounds, SnO and SnO2, intermediate states have been claimed to exist for more than a hundred years. In addition to the known homologous series (Seko et al., Phys. Rev. Lett. 100, 045702 (2008)), we here predict the existence of several new compounds with an O concentration between 50 % (SnO) and 67 % (SnO2). All these intermediate compounds are constructed from removing one or more (101) oxygen layers of SnO2. Since the van der Waals (vdW) interaction is known to be important for the Sn-Sn interlayer distances, we use a vdW-corrected functional, and compare these results with results obtained with PBE and hybrid functionals. We present the electronic properties of the intermediate structures and we observe a decrease of the band gap when (i) the O concentration increases and (ii) more SnO-like units are present for a given concentration. The contribution of the different atoms to the valence and conduction band is also investigated. |
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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 |
000381544200007 |
Publication Date |
2016-06-12 |
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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 |
|
| |
ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor  |
1.554 |
Times cited |
10 |
Open Access |
|
| |
Notes |
We gratefully acknowledge financial support from a GOA fund of the University of Antwerp. K.G. thanks the University of Antwerp for a PhD fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government – department EWI. |
Approved |
Most recent IF: 1.554 |
| |
Call Number |
c:irua:134037 |
Serial |
4085 |
| Permanent link to this record |
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|
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|
Author |
Petrovic, M.D.; Peeters, F.M. |
| |
Title |
Quantum transport in graphene Hall bars : effects of side gates |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| |
Volume |
257 |
Issue |
257 |
Pages |
20-26 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Quantum electron transport in side-gated graphene Hall bars is investigated in the presence of quantizing external magnetic fields. The asymmetric potential of four side-gates distorts the otherwise flat bands of the relativistic Landau levels, and creates new propagating states in the Landau spectrum (i.e. snake states). The existence of these new states leads to an interesting modification of the bend and Hall resistances, with new quantizing plateaus appearing in close proximity of the Landau levels. The electron guiding in this system can be understood by studying the current density profiles of the incoming and outgoing modes. From the fact that guided electrons fully transmit without any backscattering (similarly to edge states), we are able to analytically predict the values of the quantized resistances, and they match the resistance data we obtain with our numerical (tight-binding) method. These insights in the electron guiding will be useful in predicting the resistances for other side-gate configurations, and possibly in other system geometries, as long as there is no backscattering of the guided states. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000401101400005 |
Publication Date |
2017-04-02 |
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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 |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.554 |
Times cited |
|
Open Access |
|
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Notes |
; This work was supported by the Methusalem programme of the Flemish government. One of us (F. M. Peeters) acknowledges correspondence with K. Novoselov. ; |
Approved |
Most recent IF: 1.554 |
| |
Call Number |
UA @ lucian @ c:irua:143761 |
Serial |
4604 |
| Permanent link to this record |
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|
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Author |
Zhao, C.X.; Xu, W.; Dong, H.M.; Yu, Y.; Qin, H.; Peeters, F.M. |
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Title |
Enhancement of plasmon-photon coupling in grating coupled graphene inside a Fabry-Perot cavity |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| |
Volume |
280 |
Issue |
280 |
Pages |
45-49 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a theoretical investigation of the plasmon-polariton modes in grating coupled graphene inside a Fabry-Perot cavity. The cavity or photon modes of the device are determined by the Finite Difference Time Domain (FDTD) simulations and the corresponding plasmon-polariton modes are obtained by applying a many-body self-consistent field theory. We find that in such a device structure, the electric field strength of the incident electromagnetic (EM) field can be significantly enhanced near the edges of the grating strips. Thus, the strong coupling between the EM field and the plasmons in graphene can be achieved and the features of the plasmon-polariton oscillations in the structure can be observed. It is found that the frequencies of the plasmon-polariton modes are in the terahertz (THz) bandwidth and depend sensitively on electron density which can be tuned by applying a gate voltage. Moreover, the coupling between the cavity photons and the plasmons in graphene can be further enhanced by increasing the filling factor of the device. This work can help us to gain an in-depth understanding of the THz plasmonic properties of graphene-based structures. |
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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 |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
000439059600008 |
Publication Date |
2018-06-18 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
|
| |
Notes |
; This work is supported by the National Natural Science Foundation of China (Grand No. 11604192 and Grant No. 11574319); the Center of Science and Technology of Hefei Academy of Science; the Ministry of Science and Technology of China (Grant No. 2011YQ130018); Department of Science and Technology of Yunnan Province; Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.554 |
| |
Call Number |
UA @ lucian @ c:irua:152369UA @ admin @ c:irua:152369 |
Serial |
5024 |
| Permanent link to this record |
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Author |
Wang, W.; Li, L.; Kong, X.; Van Duppen, B.; Peeters, F.M. |
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Title |
T4,4,4-graphyne : a 2D carbon allotrope with an intrinsic direct bandgap |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
| |
Volume |
293 |
Issue |
293 |
Pages |
23-27 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A novel two-dimensional (2D) structurally stable carbon allotrope is proposed using first-principles calculations, which is a promising material for water purification and for electronic devices due to its unique porous structure and electronic properties. Rectangular and hexagonal rings are connected with acetylenic linkages, forming a nanoporous structure with a pore size of 6.41 angstrom, which is known as T-4,T-4,T-4-graphyne. This 2D sheet exhibits a direct bandgap of 0.63 eV at the M point, which originates from the p(z)( )atomic orbitals of carbon atoms as confirmed by a tight-binding model. Importantly, T-4,T-4,T-4-graphyne is found to be energetically more preferable than the experimentally realized beta-graphdiyne, it is dynamically stable and can withstand temperatures up to 1500 K. |
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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 |
000460909600005 |
Publication Date |
2019-02-10 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.554 |
Times cited |
17 |
Open Access |
|
| |
Notes |
; This work was supported by National Natural Science Foundation of China (Grant Nos. 11404214 and 11455015), the China Scholarship Council (CSC), the Science and Technology Research Foundation of Jiangxi Provincial Education Department (Grant Nos. GJJ180868 and GJJ161062) the Fonds Wetenschappelijk Onderzoek (FWO-V1), and the FLAG-ERA project TRANS2DTMD. BVD was supported by the Research Foundation – Flanders (FWO-V1) through a postdoctoral fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI. ; |
Approved |
Most recent IF: 1.554 |
| |
Call Number |
UA @ admin @ c:irua:158503 |
Serial |
5234 |
| Permanent link to this record |
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Author |
Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. |
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Title |
First-principles study of defects at Σ3 grain boundaries in CuGaSe2 |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
|
Issue |
|
Pages |
114263 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
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Abstract |
We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors. |
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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 |
000652668500013 |
Publication Date |
2021-03-12 |
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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 |
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Series Issue |
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Edition |
|
| |
ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
OpenAccess |
| |
Notes |
Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 1.554 |
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Call Number |
EMAT @ emat @c:irua:176544 |
Serial |
6703 |
| Permanent link to this record |
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Author |
Chaves, A.; Peeters, F.M. |
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Title |
Tunable effective masses of magneto-excitons in two-dimensional materials |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
| |
Volume |
334 |
Issue |
|
Pages |
114371 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Excitonic properties of Ge2H2 and Sn2H2, also known as Xanes, are investigated within the effective mass model. A perpendicularly applied magnetic field induces a negative shift on the exciton center-of-mass kinetic energy that is approximately quadratic with its momentum, thus pushing down the exciton dispersion curve and flattening it. This can be interpreted as an increase in the effective mass of the magneto-exciton, tunable by the field intensity. Our results show that in low effective mass two-dimensional semiconductors, such as Xanes, the applied magnetic field allows one to tune the magneto-exciton effective mass over a wide range of values. |
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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 |
000670329600003 |
Publication Date |
2021-05-14 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.554 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 1.554 |
| |
Call Number |
UA @ admin @ c:irua:179762 |
Serial |
7037 |
| Permanent link to this record |
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Author |
Hosseininia, G.; Rafiaani Khachak, P.; Nooripoor, M.; Van Passel, S.; Azadi, H. |
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Title |
Understanding communicational behavior among rangelands' stakeholders : application of social network analysis |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal Of Environmental Planning And Management |
Abbreviated Journal |
J Environ Plann Man |
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Volume |
59 |
Issue |
2 |
Pages |
320-341 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Understanding communicational behavior of rangelands stakeholders is fundamental for effective development of rangeland management plans. This study aimed to understand differences between stakeholders relations among various actors involved in rangeland management using social network analysis (SNA). A survey was conducted on 334 stakeholders (89 extension agents, 110 researchers and 135 executive agents) in the Tehran province, Iran. Results showed that all the three groups of stakeholders are interested in making contact mainly within their own group. Furthermore, while the executive agents have shared the strongest technical and friendship relations with the two other groups, the extension agents established the strongest administrative interactions. The researchers, however, made a poor link especially with the extension agents. The study concluded that SNA could be an efficient tool to assess communicational behavior in rangeland management. |
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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 |
000366383400008 |
Publication Date |
2015-03-17 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0964-0568 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.56 |
Times cited |
1 |
Open Access |
|
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Notes |
; ; |
Approved |
Most recent IF: 1.56 |
| |
Call Number |
UA @ admin @ c:irua:136755 |
Serial |
6274 |
| Permanent link to this record |
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Author |
Motamedi, J.; Azadi, H.; Alijanpour, A.; Shafiei, A.B.; Sheidai-Karkaj, E.; Mofidi-Chelan, M.; Moghaddam, S.M.; Van Passel, S.; Witlox, F. |
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Title |
Economic indices of by-products utilization and forage production in semi-arid rangelands |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Journal of environmental planning and management |
Abbreviated Journal |
J Environ Plann Man |
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Volume |
|
Issue |
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Pages |
1-29 |
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Keywords |
A1 Journal article; Sociology; Law; Engineering Management (ENM) |
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Abstract |
One of the most basic criteria in documenting rangeland use prospects is the recognition of byproducts and their economic appraisal. The current study was conducted to assess the economic indices of exploiting byproduct production in Shahindej, Northwest Iran. For this purpose, 24 by-product-generating species were selected in 114 locations that belong to 49 rangeland units. The total expected value of 24 by-product generating species yield and forage production was calculated at 44.22 USD ha(-1). The results of this study showed that the sustainability of natural resources depends on the effective participation and empowerment of local communities. Furthermore, by-product exploitation contributes significantly to the local economy and employment while also reducing grazing intensity. Overall, the findings of this study show that by-product earnings should be considered in range management schemes and comprehensive natural-area management. |
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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 |
000830614200001 |
Publication Date |
2022-07-26 |
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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 |
0964-0568 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.56 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ admin @ c:irua:189725 |
Serial |
7355 |
| Permanent link to this record |
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Author |
Canossa, S.; Graiff, C.; Crocco, D.; Predieri, G. |
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Title |
Water structures and packing efficiency in methylene blue cyanometallate salts |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Crystals |
Abbreviated Journal |
Crystals |
| |
Volume |
10 |
Issue |
7 |
Pages |
558 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Crystal structure prediction is the holy grail of crystal engineering and is key to its ambition of driving the formation of solids based on the selection of their molecular constituents. However, this noble quest is hampered by the limited predictability of the incorporation of solvent molecules, first and foremost the ubiquitous water. In this context, we herein report the structure of four methylene blue cyanometallate phases, where anions with various shapes and charges influence the packing motif and lead to the formation of differently hydrated structures. Importantly, water molecules are observed to play various roles as isolated fillings, dimers, or an infinite network with up to 13 water molecules per repeating unit. Each crystal structure has been determined by single-crystal X-ray diffraction and evaluated with the aid of Hirshfeld surface analysis, focussing on the role of water molecules and the hierarchy of different classes of interactions in the overall supramolecular landscape of the crystals. Finally, the collected pieces of evidence are matched together to highlight the leading role of MB stacking and to derive an explanation for the observed hydration diversity based on the structural role of water molecules in the crystal architecture. |
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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 |
000554226900001 |
Publication Date |
2020-07-01 |
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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 |
2073-4352 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.566 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
; The Elettra Synchrotron (CNR Trieste) is gratefully acknowledged for the beamtime allocated at the beamline XRD1 (proposal nr 20175216). S.C. acknowledges the Research Foundation Flanders (FWO) for supporting his research (grant nr. 12ZV120N). ; |
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ admin @ c:irua:171279 |
Serial |
6653 |
| Permanent link to this record |
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Author |
Zografos, O.; Dutta, S.; Manfrini, M.; Vaysset, A.; Sorée, B.; Naeemi, A.; Raghavan, P.; Lauwereins, R.; Radu, I.P. |
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Title |
Non-volatile spin wave majority gate at the nanoscale |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
AIP advances
T2 – 61st Annual Conference on Magnetism and Magnetic Materials (MMM), OCT 31-NOV 04, 2016, New Orleans, LA |
Abbreviated Journal |
Aip Adv |
| |
Volume |
7 |
Issue |
5 |
Pages |
056020 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
A spin wave majority fork-like structure with feature size of 40 nm, is presented and investigated, through micromagnetic simulations. The structure consists of three merging out-of-plane magnetization spin wave buses and four magneto-electric cells serving as three inputs and an output. The information of the logic signals is encoded in the phase of the transmitted spin waves and subsequently stored as direction of magnetization of the magneto-electric cells upon detection. The minimum dimensions of the structure that produce an operational majority gate are identified. For all input combinations, the detection scheme employed manages to capture the majority phase result of the spin wave interference and ignore all reflection effects induced by the geometry of the structure. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Amer inst physics |
Place of Publication |
Melville |
Editor |
|
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Language |
|
Wos |
000402797100177 |
Publication Date |
2017-02-06 |
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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 |
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.568 |
Times cited |
13 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.568 |
| |
Call Number |
UA @ lucian @ c:irua:144288 |
Serial |
4673 |
| Permanent link to this record |
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Author |
Leliaert, J.; Mulkers, J.; De Clercq, J.; Coene, A.; Dvornik, M.; Van Waeyenberge, B. |
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Title |
Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
AIP advances |
Abbreviated Journal |
Aip Adv |
| |
Volume |
7 |
Issue |
12 |
Pages |
125010 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step. |
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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 |
000418492500010 |
Publication Date |
2017-12-11 |
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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 |
|
Edition |
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.568 |
Times cited |
13 |
Open Access |
|
| |
Notes |
This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and a postdoctoral fellowship (A.C.). J. L. is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowl- edge the support of NVIDIA Corporation with the donation of the Titan Xp GPU used for this research. |
Approved |
Most recent IF: 1.568 |
| |
Call Number |
CMT @ cmt @c:irua:147860 |
Serial |
4799 |
| Permanent link to this record |
| |
|
| |
|
Author |
Gauquelin, N.; Zhang, H.; Zhu, G.; Wei, J.Y.T.; Botton, G.A. |
| |
Title |
Atomic-scale identification of novel planar defect phases in heteroepitaxial YBa2Cu3O7-\delta thin films |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
AIP advances |
Abbreviated Journal |
Aip Adv |
| |
Volume |
8 |
Issue |
5 |
Pages |
055022 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
We have discovered two novel types of planar defects that appear in heteroepitaxial YBa2Cu3O7-delta(YBCO123) thin films, grown by pulsed-laser deposition (PLD) either with or without a La2/3Ca1/3MnO3 (LCMO) overlayer, using the combination of highangle annular dark-field scanning transmission electron microscopy (HAADF-STEM) imaging and electron energy loss spectroscopy (EELS) mapping for unambiguous identification. These planar lattice defects are based on the intergrowth of either a BaO plane between two CuO chains or multiple Y-O layers between two CuO2 planes, resulting in non-stoichiometric layer sequences that could directly impact the high-Tc superconductivity. (C) 2018 Author(s). |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
Melville, NY |
Editor |
|
| |
Language |
|
Wos |
000433954000022 |
Publication Date |
2018-05-21 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.568 |
Times cited |
1 |
Open Access |
OpenAccess |
| |
Notes |
; We are thankful to Julia Huang for FIB TEM sample preparation. This work is supported by NSERC (through Discovery Grants to GAB and JYTW) and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by McMaster University, the Canada Foundation for Innovation and NSERC. N.G. acknowledges H. Idrissi for useful discussions. ; |
Approved |
Most recent IF: 1.568 |
| |
Call Number |
UA @ lucian @ c:irua:152063 |
Serial |
5013 |
| Permanent link to this record |
| |
|
| |
|
Author |
Liu, S.; Wei, M.; Sui, X.; Cheng, X.; Cool, P.; Van Tendeloo, G. |
| |
Title |
A scanning electron microscopy study on hollow silica microspheres: defects and influences of the synthesis composition |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Journal of sol-gel science and technology |
Abbreviated Journal |
J Sol-Gel Sci Techn |
| |
Volume |
49 |
Issue |
3 |
Pages |
373-379 |
| |
Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) |
| |
Abstract |
Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened. |
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Address |
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Corporate Author |
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Thesis |
|
| |
Publisher |
Kluwer |
Place of Publication |
Dordrecht |
Editor |
|
| |
Language |
|
Wos |
000263260100015 |
Publication Date |
2008-12-16 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0928-0707;1573-4846; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.575 |
Times cited |
1 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.575; 2009 IF: 1.393 |
| |
Call Number |
UA @ lucian @ c:irua:74962 |
Serial |
2941 |
| Permanent link to this record |
| |
|
| |
|
Author |
Cheng, K.; Leys, M.; Degroote, S.; van Daele, B.; Boeykens, S.; Derluyn, J.; Germain, M.; Van Tendeloo, G.; Engelen, J.; Borghs, G. |
| |
Title |
Flat GaN epitaxial layers grown on Si(111) by metalorganic vapor phase epitaxy using step-graded AlGaN intermediate layers |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Journal of electronic materials |
Abbreviated Journal |
J Electron Mater |
| |
Volume |
35 |
Issue |
4 |
Pages |
592-598 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Boston, Mass. |
Editor |
|
| |
Language |
|
Wos |
000237101800016 |
Publication Date |
2007-04-16 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0361-5235;1543-186X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.579 |
Times cited |
102 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.579; 2006 IF: 1.504 |
| |
Call Number |
UA @ lucian @ c:irua:58238 |
Serial |
1223 |
| Permanent link to this record |
| |
|
| |
|
Author |
Pham, A.-T.; Zhao, Q.-T.; Jungemann, C.; Meinerzhagen, B.; Mantl, S.; Sorée, B.; Pourtois, G. |
| |
Title |
Comparison of strained SiGe heterostructure-on-insulator (0 0 1) and (1 1 0) PMOSFETs : CV characteristics, mobility, and ON current |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
| |
Volume |
65-66 |
Issue |
|
Pages |
64-71 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Strained SiGe heterostructure-on-insulator (0 0 1) and (1 1 0) PMOSFETs are investigated including important aspects like CV characteristics, mobility, and ON current. The simulations are based on the self-consistent solution of 6 × 6 k · p Schrödinger Equation, multi subband Boltzmann Transport Equation and Poisson Equation, and capture size quantization, strain, crystallographic orientation, and SiGe alloy effects on a solid physical basis. The simulation results are validated by comparison with different experimental data sources. The simulation results show that the strained SiGe HOI PMOSFET with (1 1 0) surface orientation has a higher gate capacitance and a much higher mobility and ON current compared to a similar device with the traditional (0 0 1) surface orientation. |
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Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| |
Language |
|
Wos |
000297182700012 |
Publication Date |
2011-07-29 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.58 |
Times cited |
2 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.58; 2011 IF: 1.397 |
| |
Call Number |
UA @ lucian @ c:irua:92866 |
Serial |
433 |
| Permanent link to this record |
| |
|
| |
|
Author |
Kao, K.-H.; Verhulst, A.S.; Vandenberghe, W.G.; Sorée, B.; Groeseneken, G.; De Meyer, K. |
| |
Title |
Modeling the impact of junction angles in tunnel field-effect transistors |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
| |
Volume |
69 |
Issue |
|
Pages |
31-37 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We develop an analytical model for a tunnel field-effect transistor (TFET) with a tilted source junction angle. The tunnel current is derived by using circular tunnel paths along the electric field. The analytical model predicts that a smaller junction angle improves the TFET performance, which is supported by device simulations. An analysis is also made based on straight tunnel paths and tunnel paths corresponding to the trajectory of a classical particle. In all the aforementioned cases, the same conclusions are obtained. A TFET configuration with an encroaching polygon source junction is studied to analyze the junction angle dependence at the smallest junction angles. The improvement of the subthreshold swing (SS) with decreasing junction angle can be achieved by using thinner effective oxide thickness, smaller band gap material and longer encroaching length of the encroaching junction. A TFET with a smaller junction angle on the source side also has an innate immunity against the degradation of the fringing field from the gate electrode via a high-k spacer. A large junction angle on the drain side can suppress the unwanted ambipolar current of TFETs. (c) 2011 Elsevier Ltd. All rights reserved. |
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Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| |
Language |
|
Wos |
000301561600009 |
Publication Date |
2012-01-16 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.58 |
Times cited |
9 |
Open Access |
|
| |
Notes |
; We acknowledge the input on nanowire processing of Rita Rooyackers and useful discussions with Wim Magnus. William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was also supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 1.58; 2012 IF: 1.482 |
| |
Call Number |
UA @ lucian @ c:irua:97816 |
Serial |
2145 |
| Permanent link to this record |
| |
|
| |
|
Author |
Carrillo-Nunez, H.; Magnus, W.; Vandenberghe, W.G.; Sorée, B.; Peeters, F.M. |
| |
Title |
Phonon-assisted Zener tunneling in a p-n diode silicon nanowire |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
| |
Volume |
79 |
Issue |
|
Pages |
196-200 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The Zener tunneling current flowing through a biased, abrupt p-n junction embedded in a cylindrical silicon nanowire is calculated. As the band gap becomes indirect for sufficiently thick wires, Zener tunneling and its related transitions between the valence and conduction bands are mediated by short-wavelength phonons interacting with mobile electrons. Therefore, not only the high electric field governing the electrons in the space-charge region but also the transverse acoustic (TA) and transverse optical (TO) phonons have to be incorporated in the expression for the tunneling current. The latter is also affected by carrier confinement in the radial direction and therefore we have solved the Schrodinger and Poisson equations self-consistently within the effective mass approximation for both conduction and valence band electrons. We predict that the tunneling current exhibits a pronounced dependence on the wire radius, particularly in the high-bias regime. (C) 2012 Elsevier Ltd. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| |
Language |
|
Wos |
000313611000037 |
Publication Date |
2012-09-29 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.58 |
Times cited |
2 |
Open Access |
|
| |
Notes |
; This work is supported by the Flemish Science Foundation (FWO-VI), and the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC. One of the authors (W. Vandenberghe) gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). ; |
Approved |
Most recent IF: 1.58; 2013 IF: 1.514 |
| |
Call Number |
UA @ lucian @ c:irua:110104 |
Serial |
2600 |
| Permanent link to this record |
| |
|
| |
|
Author |
Pham, A.-T.; Sorée, B.; Magnus, W.; Jungemann, C.; Meinerzhagen, B.; Pourtois, G. |
| |
Title |
Quantum simulations of electrostatics in Si cylindrical junctionless nanowire nFETs and pFETs with a homogeneous channel including strain and arbitrary crystallographic orientations |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
| |
Volume |
71 |
Issue |
|
Pages |
30-36 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Simulation results of electrostatics in Si cylindrical junctionless nanowire transistors with a homogenous channel are presented. Junctionless transistors including strain and arbitrary crystallographic orientations are studied. Size quantization effects are simulated by self-consistent solutions of the Poisson and Schrodinger equations. The 6 x 6 k.p method is employed for the calculation of the valence subband structure in a junctionless nanowire pFET. The influence of stress/strain and crystallographic channel orientation on to the electrostatics in terms of subband structure, charge density, and C-V curve is systematically studied. (C) 2011 Elsevier Ltd. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| |
Language |
|
Wos |
000303033800007 |
Publication Date |
2011-12-01 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.58 |
Times cited |
2 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.58; 2012 IF: 1.482 |
| |
Call Number |
UA @ lucian @ c:irua:98245 |
Serial |
2786 |
| Permanent link to this record |
| |
|
| |
|
Author |
Balaban, S.N.; Pokatilov, E.P.; Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Magnus, W.; Schoenmaker, W.; van Rossum, M.; Sorée, B. |
| |
Title |
Quantum transport in a cylindrical sub-0.1 μm silicon-based MOSFET |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Solid-State Electronics |
Abbreviated Journal |
Solid State Electron |
| |
Volume |
46 |
Issue |
|
Pages |
435-444 |
| |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| |
Language |
|
Wos |
000174445000020 |
Publication Date |
2002-10-15 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.58 |
Times cited |
16 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.58; 2002 IF: 0.913 |
| |
Call Number |
UA @ lucian @ c:irua:40880 |
Serial |
2791 |
| Permanent link to this record |
| |
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| |
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Author |
Van Passel, S.; Massetti, E.; Mendelsohn, R. |
| |
Title |
A Ricardian analysis of the impact of climate change on European agriculture |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Environmental & Resource Economics |
Abbreviated Journal |
Environ Resour Econ |
| |
Volume |
67 |
Issue |
4 |
Pages |
725-760 |
| |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
| |
Abstract |
This research estimates the impact of climate on European agriculture using a continental scale Ricardian analysis. Climate, soil, geography and regional socio-economic variables are matched with farm level data from 41,030 farms across Western Europe. We demonstrate that a median quantile regression outperforms OLS given farm level data. The results suggest that European farms are slightly more sensitive to warming than American farms with impacts from +5 to −32 % by 2100 depending on the climate scenario. Farms in Southern Europe are predicted to be particularly sensitive, suffering losses of −5 to −9 % per degree Celsius. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000408358900005 |
Publication Date |
2016-03-05 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0924-6460 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.582 |
Times cited |
15 |
Open Access |
|
| |
Notes |
; The authors would kindly want to express their gratitude towards DG AGRI for access to the Farm Accountancy Data Network (FADN). Steven Van Passel also thanks FWO for funding his research stay at Yale University. Steven Van Passel is also obliged to the OECD for awarding a fellowship of the co-operative research program `Biological Resource Management for Sustainable Agricultural Systems'. Emanuele Massetti gratefully acknowledges funding from the Marie Curie IOF Cli-EMA “Climate change impacts-Economic modelling and analysis”. ; |
Approved |
Most recent IF: 1.582 |
| |
Call Number |
UA @ admin @ c:irua:139041 |
Serial |
6246 |
| Permanent link to this record |
| |
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| |
|
Author |
Peeters, L.; Schreurs, E.; Van Passel, S. |
| |
Title |
Heterogeneous impact of soil contamination on farmland prices in the Belgian Campine region : evidence from unconditional quantile regressions |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Environmental & Resource Economics |
Abbreviated Journal |
Environ Resour Econ |
| |
Volume |
66 |
Issue |
1 |
Pages |
135-168 |
| |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
| |
Abstract |
We estimate a hedonic-pricing model using geo-coded farmland-transaction data from the Campine region, situated in the north-east of Belgium. Unlike previous hedonic studies, we use the method of unconditional quantile regression (Firpo et al., in Econometrica 77(3):953973, 2009). An important advantage of this new method over the traditional conditional quantile regression (Koenker and Bassett, in Econometrica 46(1):3350, 1978) is that it allows for the estimation of potentially heterogeneous effects of cadmium pollution along the entire (unconditional) distribution of farmland prices. Using a threshold specification of the hedonic-pricing model, we find evidence of a U-shaped valuation pattern, where cadmium pollution of the soil has a negative and significant impact on prices only in the middle range of the distribution, insofar as cadmium concentrations are above the regulatory standard of 2 parts per million for agricultural land. Results obtained from a probit model to classify land plots into different price segments further suggest that the heterogeneous impact of soil pollution on price can be directly related to the variety of amenities that farmland provides. |
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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 |
000391511800007 |
Publication Date |
2015-08-03 |
| |
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 |
|
| |
ISSN |
0924-6460 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.582 |
Times cited |
4 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.582 |
| |
Call Number |
UA @ admin @ c:irua:139029 |
Serial |
6208 |
| Permanent link to this record |
| |
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| |
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Author |
Xiao, Y.M.; Xu, W.; Peeters, F.M. |
| |
Title |
Infrared to terahertz absorption window in mono- and multi-layer graphene systems |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Optics communications |
Abbreviated Journal |
Opt Commun |
| |
Volume |
328 |
Issue |
|
Pages |
135-142 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We present a theoretical study on optical properties such as optical conductance and light transmission coefficient for mono- and multi-layer graphene systems with AB- and ABC-stacking. Considering an air/graphene/dielectric-water structure, the optical coefficients for those graphene systems are examined and compared. The universal optical conductance sigma(N)(0)=N pi e(2)/(2h) for N layer graphene systems in the visible region is verified. For N 3 layer graphene, the mini-gap induced absorption edges can be observed in odd layers AB-stacked multilayer graphene, where the number and position of the absorption edges are decided by the layers number N. Meanwhile, we can observe the optical absorption windows for those graphene systems in the infrared to terahertz bandwidth (0.2-150 THz). The absorption window is induced by different transition energies required for inter- and intra-band optical absorption channels. We find that the depth and width of the absorption window can be tuned not only via varying temperature and electron density but also by changing the number of graphene layers and the stacking order. These theoretical findings demonstrate that mono- and multi-layer graphene systems can be applied as frequency tunable optoelectronic devices working in infrared to terahertz bandwidth. (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 |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000336970000022 |
Publication Date |
2014-05-14 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0030-4018; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.588 |
Times cited |
7 |
Open Access |
|
| |
Notes |
; This work was supported by the Ministry of Science and Technology of China (Grant no, 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 1.588; 2014 IF: 1.449 |
| |
Call Number |
UA @ lucian @ c:irua:118364 |
Serial |
1666 |
| Permanent link to this record |
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| |
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Author |
Boulay, E.; Nakano, J.; Turner, S.; Idrissi, H.; Schryvers, D.; Godet, S. |
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Title |
Critical assessments and thermodynamic modeling of BaO-SiO2 and SiO2-TiO2 systems and their extensions into liquid immiscibility in the BaO-SiO2-TiO2 system |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Calphad computer coupling of phase diagrams and thermochemistry |
Abbreviated Journal |
Calphad |
| |
Volume |
47 |
Issue |
|
Pages |
68-82 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
This study discusses rational reproduction of liquid immiscibility in the BaO-SiO2-TiO2 system. While a ternary assessment requires sub-binary descriptions in the same thermodynamic model, the related sub-binary systems BaO-SiO2, BaO-TiO2 and SiO2-TiO2 liquid and solid phases have been evaluated using different thermodynamic models in the literature. In this study, BaO-SiO2 and SiO2-TiO2 were assessed using the Ionic Two Sublattice model (I2SL) based on experimental data from the literature. BaO-TiO2 was already assessed using this model. Binary descriptions developed were then used for the assessment of liquid immiscibility in the BaO-SiO2-TiO2 system. Ternary interaction parameters were found necessary for rational reproduction of the new ternary experimental data gathered in the present work. The model parameters for each system were evaluated using a CAPLHAD approach. A set of parameters is proposed. They show good agreement between the calculated and experimental equilibrium liquidus, liquid immiscibility and thermochemical properties in the BaO-SiO2-TiO2 system. (C) 2014 Elsevier Ltd. 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 |
Oxford |
Editor |
|
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Language |
|
Wos |
000346224700008 |
Publication Date |
2014-07-05 |
| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0364-5916; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.6 |
Times cited |
9 |
Open Access |
|
| |
Notes |
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Approved |
Most recent IF: 1.6; 2014 IF: 1.370 |
| |
Call Number |
UA @ lucian @ c:irua:122776 |
Serial |
540 |
| Permanent link to this record |
| |
|
| |
|
Author |
de Mey, Y.; Wauters, E.; Schmid, D.; Lips, M.; Vancauteren, M.; Van Passel, S. |
| |
Title |
Farm household risk balancing : empirical evidence from Switzerland |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
European Review Of Agricultural Economics |
Abbreviated Journal |
Eur Rev Agric Econ |
| |
Volume |
43 |
Issue |
4 |
Pages |
|
| |
Keywords |
A1 Journal article; Economics |
| |
Abstract |
Empirical evidence on household risk balancing behaviour is presented by estimating a fixed effects seemingly unrelated regression model using Swiss Farm Accountancy Data Network data. We find that in response to changes in expected business risks, Swiss farm households not only make strategic farm financial risk decisions (original risk balancing), but also make strategic off-farm decisions (household risk balancing) by altering their share of off-farm income and relative consumption. Small farms appear to make more use of household risk balancing strategies whereas large farms conversely make more use of the original risk balancing strategy. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000386026600005 |
Publication Date |
2015-11-05 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0165-1587; 1464-3618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
| |
Impact Factor |
1.6 |
Times cited |
15 |
Open Access |
|
| |
Notes |
; This research was funded by a scholarship from the Agency for Innovation by Science and Technology (IWT) in Flanders. The authors are very grateful to Ludwig Lauwers and Frankwin van Winsen for many helpful discussions. They also thank the editor and two anonymous reviewers for their constructive comments and conference/workshop participants from ART, BAAE, EAAE, KU Leuven and WUR for excellent comments on earlier versions of the article. The views expressed in this article are those of the authors and do not necessarily reflect those of the Agroscope Institute for Sustainability Sciences ISS. ; |
Approved |
Most recent IF: 1.6 |
| |
Call Number |
UA @ admin @ c:irua:138183 |
Serial |
6202 |
| Permanent link to this record |
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|
| |
|
Author |
Bafekry, A.; Stampfl, C.; Peeters, F.M. |
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Title |
The electronic, optical, and thermoelectric properties of monolayer PbTe and the tunability of the electronic structure by external fields and defects |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physica Status Solidi B-Basic Solid State Physics |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
|
Issue |
|
Pages |
2000182-12 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
First‐principles calculations, within the framework of density functional theory, are used to investigate the structural, electronic, optical, and thermoelectric properties of monolayer PbTe. The effect of layer thickness, electric field, strain, and vacancy defects on the electronic and magnetic properties is systematically studied. The results show that the bandgap decreases as the layer thickness increases from monolayer to bulk. With application of an electric field on bilayer PbTe, the bandgap decreases from 70 meV (0.2 V Å⁻¹) to 50 meV (1 V Å⁻¹) when including spin–orbit coupling (SOC). Application of uniaxial strain induces a direct‐to‐indirect bandgap transition for strain greater than +6%. In addition, the bandgap decreases under compressive biaxial strain (with SOC). The effect of vacancy defects on the electronic properties of PbTe is also investigated. Such vacancy defects turn PbTe into a ferromagnetic metal (single vacancy Pb) with a magnetic moment of 1.3 μB, and into an indirect semiconductor with bandgap of 1.2 eV (single Te vacancy) and 1.5 eV (double Pb + Te vacancy). In addition, with change of the Te vacancy concentration, a bandgap of 0.38 eV (5.55%), 0.43 eV (8.33%), and 0.46 eV (11.11%) is predicted. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000527679200001 |
Publication Date |
2020-04-23 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0370-1972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.6 |
Times cited |
40 |
Open Access |
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). In addition, this work was supported by the FLAG-ERA project 2DTRANS TMD and the Flemish Science Foundation (FWO-Vl). The authors are thankful for comments by Mohan Verma from the Computational Nanoionics Research Lab, Department of Applied Physics, Bhilai, India and to Francesco Buonocore from ENEA, Casaccia Research Centre, Rome, Italy. ; |
Approved |
Most recent IF: 1.6; 2020 IF: 1.674 |
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Call Number |
UA @ admin @ c:irua:168730 |
Serial |
6502 |
| Permanent link to this record |
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Author |
Bafekry, A.; Van Nguyen, C.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
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Title |
Oxygen vacancies in the single layer of Ti₂CO₂ MXene: effects of gating voltage, mechanical strain, and atomic impurities |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physica Status Solidi B-Basic Solid State Physics |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
|
Issue |
|
Pages |
2000343-2000349 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Herein, using first-principles calculations the structural and electronic properties of the Ti(2)CO(2)MXene monolayer with and without oxygen vacancies are systematically investigated with different defect concentrations and patterns, including partial, linear, local, and hexagonal types. The Ti(2)CO(2)monolayer is found to be a semiconductor with a bandgap of 0.35 eV. The introduction of oxygen vacancies tends to increase the bandgap and leads to electronic phase transitions from nonmagnetic semiconductors to half-metals. Moreover, the semiconducting characteristic of O-vacancy Ti(2)CO(2)can be adjusted via electric fields, strain, and F-atom substitution. In particular, an electric field can be used to alter the nonmagnetic semiconductor of O-vacancy Ti(2)CO(2)into a magnetic one or into a half-metal, whereas the electronic phase transition from a semiconductor to metal can be achieved by applying strain and F-atom substitution. The results provide a useful guide for practical applications of O-vacancy Ti(2)CO(2)monolayers in nanoelectronic and spinstronic nanodevices. |
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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 |
000571060800001 |
Publication Date |
2020-09-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
| |
ISSN |
0370-1972 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.6 |
Times cited |
|
Open Access |
|
| |
Notes |
; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 1.6; 2020 IF: 1.674 |
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Call Number |
UA @ admin @ c:irua:171948 |
Serial |
6576 |
| Permanent link to this record |
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Author |
Martin, É.; Gossuin, Y.; Bals, S.; Kavak, S.; Vuong, Q.L. |
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Title |
Monte Carlo simulations of the magnetic behaviour of iron oxide nanoparticle ensembles: taking size dispersion, particle anisotropy, and dipolar interactions into account |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
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Volume |
95 |
Issue |
12 |
Pages |
201 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In this work, the magnetic properties of superparamagnetic iron oxide nanoparticles (SPIONs) submitted to an external magnetic field are studied using a Metropolis algorithm. The influence on the M(B) curves of the size distribution of the nanoparticles, of uniaxial anisotropy, and of dipolar interaction between the cores are examined, as well as the influence of drying the samples under a zero or non-zero magnetic field. It is shown that the anisotropy impacts the shape of the magnetization curves, which then deviate from a pure Langevin behaviour, whereas the dipolar interaction has no influence on the curves at 300 K for small particles (with a radius of 3 nm). The fitting of the magnetization curves of particles with magnetic anisotropy to a Langevin model (including a size distribution of the particles) can then lead to erroneous values of the distribution parameters. The simulation results are qualitatively compared to experimental results obtained for iron oxide nanoparticles (with a 3.21 nm median radius). |
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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 |
000901937400001 |
Publication Date |
2022-12-21 |
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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 |
|
| |
ISSN |
1434-6028 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.6 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
The authors would like to thank Sophie Laurent from the University of Mons for the access to the Dynamic Light Scattering equipment. Computational resources have been provided by the Consortium des Equipements de Calcul Intensif (C ´ ECI), funded by the ´ Fonds de la Recherche Scientifique de Belgique (F.R.S.- FNRS) under Grant No. 2.5020.11 and by the Walloon Region. |
Approved |
Most recent IF: 1.6 |
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Call Number |
EMAT @ emat @c:irua:192706 |
Serial |
7232 |
| Permanent link to this record |
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Author |
Bercx, M.; Mayda, S.; Depla, D.; Partoens, B.; Lamoen, D. |
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Title |
Plasmonic effects in the neutralization of slow ions at a metallic surface |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
Contributions to Plasma Physics |
Abbreviated Journal |
Contrib. Plasma Phys |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
Secondary electron emission is an important process that plays a significant role in several plasma‐related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliable yield data is critical as input for higher‐scale simulations. Here, we build upon our previous work combining density functional theory calculations with a model originally developed by Hagstrum to extend its application to metallic surfaces. As plasmonic effects play a much more important role in the secondary electron emission mechanism for metals, we introduce an approach based on Poisson point processes to include both surface and bulk plasmon excitations to the process. The resulting model is able to reproduce the yield spectra of several available experimental results quite well but requires the introduction of global fitting parameters, which describe the strength of the plasmon interactions. Finally, we use an in‐house developed workflow to calculate the electron yield for a list of elemental surfaces spanning the periodic table to produce an extensive data set for the community and compare our results with more simplified approaches from the literature. |
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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 |
001067651300001 |
Publication Date |
2023-09-16 |
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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 |
0863-1042 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
We acknowledge the financial support of FWO-Vlaanderen through project G.0216.14N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 1.6; 2023 IF: 1.44 |
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Call Number |
EMAT @ emat @c:irua:200330 |
Serial |
8962 |
| Permanent link to this record |
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Author |
Cangi, A.; Moldabekov, Z.A.; Neilson, D. |
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Title |
International Conference on “Strongly Coupled Coulomb Systems” (July 24-29, 2022, Görlitz, Germany) |
Type |
Editorial |
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Year |
2023 |
Publication |
Contributions to plasma physics |
Abbreviated Journal |
|
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Volume |
63 |
Issue |
9-10 |
Pages |
e202300110-3 |
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Keywords |
Editorial; Condensed Matter Theory (CMT) |
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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 |
001100083800001 |
Publication Date |
2023-11-07 |
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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 |
0863-1042; 1521-3986 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| |
Impact Factor |
1.6 |
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.6; 2023 IF: 1.44 |
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Call Number |
UA @ admin @ c:irua:201156 |
Serial |
9051 |
| Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
The impact of quantum chemical methods on the interpretation of molecular spectra of carbon clusters (review article) |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Journal of molecular structure |
Abbreviated Journal |
J Mol Struct |
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Volume |
294 |
Issue |
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Pages |
21-24 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
A1993KU48000006 |
Publication Date |
2002-07-25 |
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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 |
0022-2860; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.602 |
Times cited |
21 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:6148 |
Serial |
1560 |
| Permanent link to this record |
