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“Stripping voltammetry of tinidazole in solubilized system and biological fluids”. Jain R, Rather JA, Colloids and surfaces: A: physicochemical and engineering aspects 378, 27 (2011). http://doi.org/10.1016/J.COLSURFA.2011.01.045
Abstract: The adsorptive voltammetric behaviour of tinidazole onto the HMDE was investigated and validated in solubilized system and biological fluids by CV, SWCAdSV and DPCAdSV. Addition of CTAB to the solution containing drug enhanced the peak current while anionic and non-ionic surfactants showed an opposite effect. The electrode process is irreversible and adsorption controlled. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for tinidazole determination. Under optimized conditions; the adsorptive stripping peak current is linear over the concentration range 7.0 × 10−9 to 6.2 × 10−7 mol/L with detection limit of 4.5 × 10−10 mol/L. The precision of the proposed method in terms of RSD is 1.2% and mean recovery of 100.01%. The applicability of proposed method is further extended to in vitro determination of the drug in biological fluids.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.COLSURFA.2011.01.045
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“Voltammetric determination of antibacterial drug gemifloxacin in solubilized systems at multi-walled carbon nanotubes modified glassy carbon electrode”. Jain R, Rather JA, Colloids and surfaces: B : biointerfaces 83, 340 (2011). http://doi.org/10.1016/J.COLSURFB.2010.12.003
Abstract: A sensitive electroanalytical method for determination of gemifloxacin in pharmaceutical formulation has been investigated on the basis of the enhanced electrochemical response at multi-walled carbon nanotubes modified glassy carbon electrode in the presence of CTAB. Solubilized system of different surfactants including SDS, Tween-20 and CTAB were taken for the study of electrochemical behaviour of gemifloxacin at modified electrode. The reduction peak current increases in the presence of CTAB while other surfactants show opposite effect. The modified electrode exhibits catalytic activity, high sensitivity, stability and is applicable over wide range of concentration for the determination of gemifloxacin. The mechanism of electrochemical reduction of gemifloxacin has been proposed on the basis of CV, SWV, DPV and coulometeric techniques. The proposed squarewave voltammetric method shows linearity over the concentration range 2.4715.5 μg/mL. The achieved limits of detection (LOD) and quantification (LOQ) are 0.90 ng/mL and 3.0 ng/mL respectively.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.COLSURFB.2010.12.003
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“Exploring the effects of graphene and temperature in reducing electron beam damage: A TEM and electron diffraction-based quantitative study on Lead Phthalocyanine (PbPc) crystals”. Jain N, Hao Y, Parekh U, Kaltenegger M, Pedrazo-Tardajos A, Lazzaroni R, Resel R, Geerts YH, Bals S, Van Aert S, Micron 169, 103444 (2023). http://doi.org/10.1016/j.micron.2023.103444
Abstract: High-resolution transmission electron microscopy (TEM) of organic crystals, such as Lead Phthalocyanine (PbPc), is very challenging since these materials are prone to electron beam damage leading to the breakdown of the crystal structure during investigation. Quantification of the damage is imperative to enable high-resolution imaging of PbPc crystals with minimum structural changes. In this work, we performed a detailed electron diffraction study to quantitatively measure degradation of PbPc crystals upon electron beam irradiation. Our study is based on the quantification of the fading intensity of the spots in the electron diffraction patterns. At various incident dose rates (e/Å2/s) and acceleration voltages, we experimentally extracted the decay rate (1/s), which directly correlates with the rate of beam damage. In this manner, a value for the critical dose (e/Å2) could be determined, which can be used as a measure to quantify beam damage. Using the same methodology, we explored the influence of cryogenic temperatures, graphene TEM substrates, and graphene encapsulation in prolonging the lifetime of the PbPc crystal structure during TEM investigation. The knowledge obtained by diffraction experiments is then translated to real space high-resolution TEM imaging of PbPc.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.4
Times cited: 1
DOI: 10.1016/j.micron.2023.103444
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“CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging”. Jafarzadeh A, Bal KM, Bogaerts A, Neyts EC, The journal of physical chemistry: C : nanomaterials and interfaces 123, 6516 (2019). http://doi.org/10.1021/ACS.JPCC.8B11816
Abstract: Surface charging is an often overlooked factor in many plasma-surface interactions and in particular in plasma catalysis. In this study, we investigate the effect of excess electrons induced by a plasma on the adsorption properties of CO2 on titania-supported Cu-5 and Ni-5 clusters using spin-polarized and dispersion-corrected density functional theory calculations. The effect of excess electrons on the adsorption of Ni and Cu pentamers as well as on CO2 adsorption on a pristine anatase TiO2(101) slab is studied. Our results indicate that adding plasma-induced excess electrons to the system leads to further stabilization of the bent CO2 structure. Also, dissociation of CO2 on charged clusters is energetically more favorable than on neutral clusters. We hypothesize that surface charge is a plausible cause for the synergistic effects sometimes observed in plasma catalysis.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 4
DOI: 10.1021/ACS.JPCC.8B11816
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“Activation of CO2on Copper Surfaces: The Synergy between Electric Field, Surface Morphology, and Excess Electrons”. Jafarzadeh A, Bal KM, Bogaerts A, Neyts EC, Journal Of Physical Chemistry C 124, 6747 (2020). http://doi.org/10.1021/acs.jpcc.0c00778
Abstract: In this work, we use density functional theory calculations to study the combined effect of external electric fields, surface morphology, and surface charge on CO2 activation over Cu(111), Cu(211), Cu(110), and Cu(001) surfaces. We observe that the binding energy of the CO2 molecule on Cu surfaces increases significantly upon increasing the applied electric field strength. In addition, rougher surfaces respond more effectively to the presence of the external electric field toward facilitating the formation of a carbonate-like CO2 structure and the transformation of the most stable adsorption mode from physisorption to chemisorption. The presence of surface charges further strengthens the electric field effect and consequently causes an improved bending of the CO2 molecule and C−O bond length elongation. On the other hand, a net charge in the absence of an externally applied electric field shows only a marginal effect on CO2 binding. The chemisorbed CO2 is more stable and further activated when the effects of an external electric field, rough surface, and surface charge are combined. These results can help to elucidate the underlying factors that control CO2 activation in heterogeneous and plasma catalysis, as well as in electrochemical processes.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.7
DOI: 10.1021/acs.jpcc.0c00778
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Jafarzadeh A (2020) First-principle studies of plasma-catalyst interactions for greenhouse gas conversion. 163 p
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Assessing the sustainability of community forest management : a case study from Iran”. Jafari A, Kaji HS, Azadi H, Gebrehiwot K, Aghamir F, Van Passel S, Forest Policy And Economics 96, 1 (2018). http://doi.org/10.1016/J.FORPOL.2018.08.001
Abstract: The development of sustainability criteria and indicators is necessary to assess the current management and to recognize appropriate management approaches towards sustainable forest management (SFM). The aim of this study is to assess the sustainability of current management in the Dopolan community forest and assess alternative management scenarios towards SFM. To this end, we applied multi criteria analysis which consists of three steps: a) developing a primary set of criteria and indicators (C&Is) on focus groups discussions, b) finalizing and weighing the set of C&Is, applying a pair wise comparison as well as ranking method, and c) assessing the current forest management regimes and alternative scenarios against a set of C&Is. As a result, 8 criteria and 40 indicators were selected. Our results indicated that to achieve SFM, the criteria including forest protection against natural and human factors, the establishment of appropriate legal and institutional requirements and socioeconomic functions of forests, are the most important criteria (weighted 14.60%, 14.28% and 13.96%, respectively). Assessing the current management regimes revealed that the criteria consisting of biodiversity conservation and local communities' awareness have the maximum distance to SFM (weighted 7.75% and 9.18%, respectively). Among the alternative forest management scenarios, the sixth scenario namely conservation and rehabilitation, local investment attraction in forest conservation and rehabilitation, enabling and capacity building of forest inhabitants were realized as the best scenarios (weighted 26.20%) to achieve SFM. A joint effort of the concerned government forestry officials and local people is needed to enhance the sustainability of all community based forestry models.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
Impact Factor: 1.982
Times cited: 4
DOI: 10.1016/J.FORPOL.2018.08.001
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“Particulate ba-barite and acantharians in the Southern Ocean during the European iron fertilization experiment (EIFEX)”. Jacquet SHM, Henjes J, Dehairs F, Worobiec A, Savoye N, Cardinal D, Journal of geophysical research: G: biogeosciences 112, 04006 (2007). http://doi.org/10.1029/2006JG000394
Keywords: A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1029/2006JG000394
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“The Li3RuyNb1-yO4 (0 ≤y&le, 1) System: Structural Diversity and Li Insertion and Extraction Capabilities”. Jacquet Q, Perez A, Batuk D, Van Tendeloo G, Rousse G, Tarascon J-M, Chemistry of materials 29, 5331 (2017). http://doi.org/10.1021/acs.chemmater.7b01511
Abstract: Searching for novel high-capacity electrode materials combining cationic and anionic redox processes is an ever-growing activity within the field of Li-ion batteries. In this respect, we report on the exploration of the Li3RuyNb1-yO4 (O <= y <= 1) system with an O/M ratio of 4 to maximize the number of oxygen lone pairs, responsible for the anionic redox. We show that this system presents a very rich crystal chemistry with the existence of four structural types, which derive from the rocksalt structure but differ in their cationic arrangement, creating either zigzag, helical, jagged chains or clusters. From an electrochemical standpoint, these compounds are active on reduction via a classical cationic insertion process. The oxidation process is more complex, because of the instability of the delithiated phase. Our results promote the use of the rich Li3MO4 family as a viable platform for a better understanding of the relationships between structure and anionic redox activity.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 17
DOI: 10.1021/acs.chemmater.7b01511
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“Critical assessment of the process of growth of a YBa2Cu3O7-\delta layer on Y2BaCuO5”. Jacques P, Verbist K, Lapin J, Ryelandt L, Van Tendeloo G, Delannay F, Superconductor science and technology 9, 176 (1996). http://doi.org/10.1088/0953-2048/9/3/008
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.325
Times cited: 1
DOI: 10.1088/0953-2048/9/3/008
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“Analyzing the dispersion of cargo vapors around a ship’s superstructure by means of wind tunnel experiments”. Jacobs W, Reynaerts C, Andries S, van den Akker S, Moonen N, Lamoen D, Journal of marine science and technology 21, 758 (2016). http://doi.org/10.1007/s00773-016-0387-9
Abstract: In a previous study, it was found that cargo tank operations like cleaning and venting, lead to higher cargo vapor concentrations around the ship’s superstructure. Can wind tunnel experiments confirm these findings? Is there an improvement when using higher outlets at high velocities compared to lower outlets with a low outlet velocity? Is there a relation between relative wind speed and measured concentration? These questions were investigated in the Peutz wind tunnel. By using a tracer gas for the wind tunnel experiments, concentration coefficients have been calculated for various settings. The study shows that using high-velocity outlets is an efficient way to keep concentrations as low as possible. The only exception is for relative wind directions from the bow. In this last case using a manhole as ventilation outlet leads to lower concentrations. With increasing wind speeds the building downwash effect resulted in higher concentration coefficients near the main deck. This study confirms our on-board measurements and suggests the lowering of the ventilation inlet of the accommodation, so that the high-velocity outlet can be used safely at all times.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.838
Times cited: 2
DOI: 10.1007/s00773-016-0387-9
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“Mapping of toxic vapours on board of tankers”. Jacobs W, Floren E, Luyckx D, Bueken P, van Beeck J, Van Grieken R, (2011)
Keywords: P3 Proceeding; Economics; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Benzene concentrations on board chemical tankers”. Jacobs W, Dubois D, Floren E, Aerts D, Goris J, Buczyńska A, Van Grieken R, WMU journal of maritime affairs 10, 117 (2011). http://doi.org/10.1007/S13437-010-0002-6
Abstract: Maritime transport of benzene is regulated by the International Maritime Organisation (IMO). Two important guidelines for a ships crew in this matter are IMO circulars 1095 and 1220. The first one describes the minimum safety standards for ships carrying liquids in bulk containing benzene while circular 1220 deals with structural guidelines for new ships carrying liquids in bulk containing benzene, but also technical developments could help in improving safety and health protection on board chemical tankers carrying benzene in bulk. The aim of the present paper is to determine the benzene concentration in the working and living environment on board a modern chemical tanker carrying benzene in bulk, where all safety, technical and operational procedures described by IMO in the above-mentioned circulars are followed. During specific cargo operations, we measured the benzene concentrations on different locations on board by means of Radiello® passive diffusive samplers. Despite all measures taken, we found an important difference in benzene concentration between operations with a benzene cargo compared to operations without benzene on board, as well as inside and outside the accommodation. Moreover, even during discharge operations, where the emission is theoretically zero, we found an important increase in the benzene concentration. In addition, we found less favourable results for the engine room.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/S13437-010-0002-6
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“Monitoring of some major volatile organic compounds on board of chemical tankers”. Jacobs W, Dubois D, Aerts D, Declerck P, Stranger M, Buczyńska A, Godoi A, Van Grieken R, Journal of maritime research 7, 3 (2010)
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Nanohardness and structure of nitrogen implanted SixAly coatings post-implanted with oxygen”. Jacobs M, Bodart F, Terwagne G, Schryvers D, Poulet A, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 147, 231 (1999). http://doi.org/10.1016/S0168-583X(98)00535-7
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.109
Times cited: 3
DOI: 10.1016/S0168-583X(98)00535-7
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“Acute changes in pulse pressure in relation to constituents of particulate air pollution in elderly persons”. Jacobs L, Buczyńska A, Walgraeve C, Potgieter-Vermaak S, Van Grieken R, et al, Environmental research 117, 60 (2012). http://doi.org/10.1016/J.ENVRES.2012.05.003
Abstract: An increased pulse pressure (difference between systolic and diastolic blood pressure) suggests aortic stiffening. The objective of this study was to examine the acute effects of both particulate matter (PM) mass and composition on blood pressure, among elderly persons. We carried out a panel study in persons living in elderly homes in Antwerp, Belgium. We recruited 88 non-smoking persons, 70% women with a mean age of 83 years (standard deviation: 5.2). Blood pressure was measured and a blood sample was collected on two time points, which were chosen so that there was an exposure contrast in ambient PM exposure. The elemental content of the collected indoor and outdoor PM2.5 (particulate matter with an aerodynamic diameter <2.5 μm) mass concentration was measured. Oxygenated polycyclic aromatic hydrocarbons (oxy-PAHs) on outdoor PM10 (particulate matter with an aerodynamic diameter <10 μm) were measured. Each interquartile range increase of 20.8 μg/m³ in 24-h mean outdoor PM2.5 was associated with an increase in pulse pressure of 4.0 mmHg (95% confidence interval: 1.86.2), in persons taking antihypertensive medication (n=57), but not in persons not using antihypertensive medication (n=31) (p for interaction: 0.02). Vanadium, iron and nickel contents of PM2.5 were significantly associated with systolic blood pressure and pulse pressure, among persons on antihypertensive medication. Similar results were found for indoor concentrations. Of the oxy-PAHs, chrysene-5,6-dione and benzo[a]pyrene-3,6-dione were significantly associated with increases in systolic blood pressure and pulse pressure. In elderly, pulse pressure was positively associated with acute increases in outdoor and indoor air pollution, among persons taking antihypertensive medication. These results might form a mechanistic pathway linking air pollution as a trigger of cardiovascular events.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.ENVRES.2012.05.003
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“Effect of growth interrupt and growth rate on MOVPE-grown InGaN/GaN MQW structures”. Jacobs K, van Daele B, Leys M, Moerman I, Van Tendeloo G, Journal of crystal growth 248, 498 (2003). http://doi.org/10.1016/S0022-0248(02)01847-X
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.751
Times cited: 14
DOI: 10.1016/S0022-0248(02)01847-X
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“Microchemical investigation of bone derived from mice treated with strontium in different chemical forms using scanning electron microscopy and micro-Raman spectroscopy”. Jabłoński MB, Stefaniak EA, Darchuk L, Turzańska K, Gorzelak M, Kuduk R, Dorriné, W, Van Grieken R, Microchemical journal 108, 168 (2013). http://doi.org/10.1016/J.MICROC.2012.10.015
Abstract: We used SEM/EDX and micro-Raman spectroscopy to investigate the chemical changes (both on the level of elementary and molecular composition) of mice bones when strontium is incorporated in their microstructure after being administered in the form of two salts: chloride and ranelate. Strontium accumulated mainly in vicinity of bone edges, both cortical and close to bone marrow. The distribution of other elements comprising bone samples (Ca, P, Mg, K etc.) was also determined by energy-dispersive X-ray analysis (EDX). The area adjacent to a cortical bone edge with accumulated strontium has presented modified Raman spectral profiles. Besides most of the Raman bands typical for both mineral (hydroxyapatite with carbonate substitution type B) and organic phases of a bone, we observed a Raman band at 811 cm− 1. It was detected regularly in the sample with high strontium concentration.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.MICROC.2012.10.015
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“Reaction mechanisms of C(3PJ) and C+(2PJ) with benzene in the interstellar medium from quantum mechanical molecular dynamics simulations”. Izadi ME, Bal KM, Maghari A, Neyts EC, Physical Chemistry Chemical Physics 23, 4205 (2021). http://doi.org/10.1039/D0CP04542J
Abstract: While spectroscopic data on small hydrocarbons in interstellar media in combination with crossed molecular beam (CMB) experiments have provided a wealth of information on astrochemically relevant species, much of the underlying mechanistic pathways of their formation remain elusive. Therefore, in this work, the chemical reaction mechanisms of C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>and C<sup>+</sup>(<sup>2</sup>P) + C<sub>6</sub>H<sub>6</sub>systems using the quantum mechanical molecular dynamics (QMMD) technique at the PBE0-D3(BJ) level of theory is investigated, mimicking a CMB experiment. Both the dynamics of the reactions as well as the electronic structure for the purpose of the reaction network are evaluated. The method is validated for the first reaction by comparison to the available experimental data. The reaction scheme for the C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system covers the literature data,<italic>e.g.</italic>the major products are the 1,2-didehydrocycloheptatrienyl radical (C<sub>7</sub>H<sub>5</sub>) and benzocyclopropenyl radical (C<sub>6</sub>H<sub>5</sub>–CH), and it reveals the existence of less common pathways for the first time. The chemistry of the C<sup>+</sup>(<sup>2</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system is found to be much richer, and we have found that this is because of more exothermic reactions in this system in comparison to those in the C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system. Moreover, using the QMMD simulation, a number of reaction paths have been revealed that produce three distinct classes of reaction products with different ring sizes. All in all, at all the collision energies and orientations, the major product is the heptagon molecular ion for the ionic system. It is also revealed that the collision orientation has a dominant effect on the reaction products in both systems, while the collision energy mostly affects the charged system. These simulations both prove the applicability of this approach to simulate crossed molecular beams, and provide fundamental information on reactions relevant for the interstellar medium.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.123
DOI: 10.1039/D0CP04542J
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“Tuning electronic and magnetic properties of monolayer \alpha-RuCl3 by in-plane strain”. Iyikanat F, Yagmurcukardes M, Senger RT, Sahin H, Journal of materials chemistry C : materials for optical and electronic devices 6, 2019 (2018). http://doi.org/10.1039/C7TC05266A
Abstract: By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.256
Times cited: 16
DOI: 10.1039/C7TC05266A
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“Quantum-Transport Characteristics of a p-n Junction on Single-Layer TiS3”. Iyikanat F, Senger RT, Peeters FM, Sahin H, ChemPhysChem : a European journal of chemical physics and physical chemistry 17, 3985 (2016). http://doi.org/10.1002/CPHC.201600751
Abstract: By using density functional theory and non-equilibrium Green's function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p-n junction. We constructed a lateral p-n junction on a TiS3 monolayer using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 p-n junction. In addition, the spin-dependent current-volt-age characteristics of the constructed TiS3 p-n junction were analyzed. Important device characteristics were found, such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 p-n junction. These prominent conduction properties of the TiS3 p-n junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.075
Times cited: 12
DOI: 10.1002/CPHC.201600751
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“Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene”. Iyikanat F, Sahin H, Senger RT, Peeters FM, APL materials 2, 092801 (2014). http://doi.org/10.1063/1.4893543
Abstract: The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 4.335
Times cited: 10
DOI: 10.1063/1.4893543
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“Vacancy formation and oxidation characteristics of single layer TiS3”. Iyikanat F, Sahin H, Senger RT, Peeters FM, The journal of physical chemistry: C : nanomaterials and interfaces 119, 10709 (2015). http://doi.org/10.1021/acs.jpcc.5b01562
Abstract: The structural, electronic, and magnetic properties of pristine, defective, and oxidized monolayer TiS3 are investigated using first-principles calculations in the framework of density functional theory. We found that a single layer of TiS3 is a direct band gap semiconductor, and the bonding nature of the crystal is fundamentally different from other transition metal chalcogenides. The negatively charged surfaces of single layer TiS3 makes this crystal a promising material for lubrication applications. The formation energies of possible vacancies, i.e. S, Ti, TiS, and double S, are investigated via total energy optimization calculations. We found that the formation of a single S vacancy was the most likely one among the considered vacancy types. While a single S vacancy results in a nonmagnetic, semiconducting character with an enhanced band gap, other vacancy types induce metallic behavior with spin polarization of 0.3-0.8 mu(B). The reactivity of pristine and defective TiS3 crystals against oxidation was investigated using conjugate gradient calculations where we considered the interaction with atomic O, O-2, and O-3. While O-2 has the lowest binding energy with 0.05-0.07 eV, O-3 forms strong bonds stable even at moderate temperatures. The strong interaction (3.9-4.0 eV) between atomic O and TiS3 results in dissociative adsorption of some O-containing molecules. In addition, the presence of S-vacancies enhances the reactivity of the surface with atomic O, whereas it had a negative effect on the reactivity with O-2 and O-3 molecules.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 4.536
Times cited: 51
DOI: 10.1021/acs.jpcc.5b01562
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“Spastin gene mutations in Bulgarian patients with hereditary spastic paraplegia”. Ivanova N, Löfgren A, Tournev I, Rousev R, Andreeva A, Jordanova A, Georgieva V, Deconinck T, Timmerman V, Kremensky I, De Jonghe P, Mitev V, Clinical genetics 70, 490 (2006). http://doi.org/10.1111/j.1399-0004.2006.00705.x
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Neurogenetics Group; Peripheral Neuropathies Group
Impact Factor: 3.326
Times cited: 6
DOI: 10.1111/j.1399-0004.2006.00705.x
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“Strongly interacting σ-electrons and MgB2 superconductivity”. Ivanov VA, van den Broek M, Peeters FM, Solid state communications 120, 53 (2001). http://doi.org/10.1016/S0038-1098(01)00351-9
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.554
Times cited: 5
DOI: 10.1016/S0038-1098(01)00351-9
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“Superconductivity in mesoscopic high-Tc superconducting particles”. Ivanov VA, Misko VR, Fomin VM, Devreese JT, Solid State Communications 125, 439 (2003). http://doi.org/10.1016/S0038-1098(02)00757-3
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 1.554
Times cited: 3
DOI: 10.1016/S0038-1098(02)00757-3
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“On the ferromagnetic exchange in Mn-doped III-V semiconductors”. Ivanov VA, Krstajic PM, Peeters FM, Fleurov V, Kikoin K, Physica: B : condensed matter
T2 –, 23rd International Conference on Low Temperature Physics (LT23), AUG 20-27, 2002, HIROSHIMA, JAPAN 329, 1282 (2003). http://doi.org/10.1016/S0921-4526(02)02240-8
Abstract: We propose a microscopic model for double exchange in GaAs:Mn, GaP:Mn which is based on the interaction between the transition metal impurities and the heavy holes of host semiconductor. The kinematic exchange is derived and the Curie temperature is calculated which agrees with recent experiments. (C) 2003 Elsevier Science B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.386
Times cited: 5
DOI: 10.1016/S0921-4526(02)02240-8
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“On the nature of ferromagnetism in dilute magnetic semiconductors : GaAs:Mn and GaP:Mn”. Ivanov VA, Krstajic PM, Peeters FM, Fleurov V, Kikoin K, Journal of magnetism and magnetic materials
T2 –, 2nd Moscow International Symposium on Magnetism (MISM 2001), JUN 20-24, 2001, MOSCOW STATE UNIV, MOSCOW, RUSSIA 258, 237 (2003). http://doi.org/10.1016/S0304-8853(02)01023-5
Abstract: On the basis of a simplified Hamiltonian for transition metal impurities in diluted magnetic semiconductors (DMS), the nature of ferromagnetism in p-type III-V DMS are investigated. Ferromagnetism is governed by the Anderson-Hubbard parameter for 3d electrons of Mn2+ and their strong hybridization with the hole carriers in the semiconducting medium. The origin of ferromagnetism in these materials has similarity with the Zener mechanism. From the energetically preferable parallel orientation of Mn spins the Curie temperature is calculated for GaAs:Mn. (C) 2002 Published by Elsevier Science B.V.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.63
Times cited: 10
DOI: 10.1016/S0304-8853(02)01023-5
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“MgB2 : superconductivity and pressure effects”. Ivanov VA, Betouras JJ, Peeters FM, , 35 (2003)
Abstract: We present a Ginzburg-Landau theory for a two-band superconductor with emphasis on MgB2. We propose experiments which lead to identification of the possible scenarios: whether both sigma- and pi-bands superconduct or sigma-alone. According to the second scenario a microscopic theory of superconducting MgB2 is proposed based on the strongly interacting or-electrons and non-correlated pi-electrons of boron ions. The kinematic and Coulomb interactions of sigma-electrons provide the superconducting state with an anisotropic gap of s(*)-wave symmetry. The critical temperature T-c has a non-monotonic dependence on the distance r between the centers of gravity of sigma- and pi-bands. The position of MgB2 on a bell-shaped curve T-c (r) is identified in the overdoped region. The derived superconducting density of electronic states is in agreement with available experimental and theoretical data. It is argued that the effects of pressure are crucial to identify the microscopic origin of superconductivity in MgB2. Possibilities for increase of T, are discussed.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“Comparison of a one-dimensional particle-in-cell-Monte Carlo model and a one-dimensional fluid model for a CH4/H2 capacitively coupled radio frequency discharge”. Ivanov V, Proshina O, Rakhimova T, Rakhimov A, Herrebout D, Bogaerts A, Journal of applied physics 91, 6296 (2002). http://doi.org/10.1063/1.1461895
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 26
DOI: 10.1063/1.1461895
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