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Author Pandey, T.; Peeters, F.M.; Milošević, M.V.
  Title Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers Type A1 Journal article
  Year 2022 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 9 Issue 1 Pages 015034
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity (kappa ( l )) in magnetic materials, as we demonstrate here for CrX3 (X = Br and I) monolayers. We show that these compounds exhibit large spin-phonon coupling (SPC), dominated by out-of-plane vibrations of Cr atoms, resulting in significantly different phonon dispersions in ferromagnetic (FM) and paramagnetic (PM) phases. Lattice thermal conductivity calculations provide additional evidence for strong SPC, where particularly large kappa ( l ) is found for the FM phase. Most strikingly, PM and FM phases exhibit radically different behavior with tensile strain, where kappa ( l ) increases with strain for the PM phase, and strongly decreases for the FM phase-as we explain through analysis of phonon lifetimes and scattering rates. Taken all together, we uncover the high significance of SPC on the phonon transport in CrX3 monolayers, a result extendable to other 2D magnetic materials, that will be useful in further design of thermal spin devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000735170300001 Publication Date 2021-12-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 5.5 Times cited 2 Open Access Not_Open_Access
  Notes Approved Most recent IF: 5.5
  Call Number UA @ admin @ c:irua:184642 Serial 7010
Permanent link to this record
 

 
Author Van Hal, M.
  Title Photo(electro)catalytic air purification and soot degradation with simultaneous energy recovery Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal
  Volume Issue Pages XXXII, 203 p.
  Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Today’s society is increasingly challenged by a range of urgent environmental problems. Air pollution is one of these pressing topics. This thesis will mainly focus on the degradation of volatile organic compounds (VOCs) and particulate matter (PM) – more specifically soot. A second globally urging topic is the quest for sustainable energy production. To simultaneously target both environmental problems, a photoelectrochemical (PEC) cell will be studied in this thesis, combining air purification and sustainable energy production in a single device. Photocatalysis is used at the anode of the PEC cell to drive the air purification process, while the energy contained in the degraded compounds is (partially) recovered at the cathode, either as H2 gas or electricity. The first two experimental chapters focus on the proof of concept of such an unbiased all-gas phase PEC cell targeting VOC degradation, using both TiO2- and WO3-based photocatalysts. In the two following experimental chapters the photocatalytic soot oxidation capacity of these TiO2- and WO3-based photocatalysts was studied. In the final experimental chapter the previously obtained results were combined, striving towards an efficient, sunlight-driven and soot-degrading waste gas-to-energy PEC cell.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links (down) UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:184521 Serial 8378
Permanent link to this record
 

 
Author Baez, J.F.; Compton, M.; Chahrati, S.; Cánovas, R.; Blondeau, P.; Andrade, F.J.
  Title Controlling the mixed potential of polyelectrolyte-coated platinum electrodes for the potentiometric detection of hydrogen peroxide Type A1 Journal article
  Year 2020 Publication Analytica Chimica Acta Abbreviated Journal Anal Chim Acta
  Volume 1097 Issue Pages 204-213
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The use of a Pt electrode coated with a layer of Nafion has been described in previous works as an attractive way to perform the potentiometric detection of hydrogen peroxide. Despite of the attractive features of this approach, the nature of the non-Nernstian response of this system was not properly addressed. In this work, using a mixed potential model, the open circuit potential of the Pt electrode is shown to be under kinetic control of the oxygen reduction reaction (ORR). It is proposed that hydrogen peroxide acts as an oxygenated species that blocks free sites on the Pt surface, interfering with the ORR. Therefore, the effect of the polyelectrolyte coating can be understood in terms of the modulation of the factors that affects the kinetics of the ORR, such as an increase of the H+ concentration, minimization of the effect of the spectator species, etc. Because of the complexity and the lack of models that accurately describe systems with practical applications, this work is not intended to provide a mechanistic but rather a phenomenological view on problem. A general framework to understand the factors that affect the potentiometric response is provided. Experimental evidence showing that the use of polyelectrolyte coatings are a powerful way to control the mixed potential open new ways for the development of robust and simple potentiometric sensors.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2019-11-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2670; 1873-4324 ISBN Additional Links (down) UA library record
  Impact Factor 6.2 Times cited Open Access
  Notes Approved Most recent IF: 6.2; 2020 IF: 4.95
  Call Number UA @ admin @ c:irua:184381 Serial 7731
Permanent link to this record
 

 
Author Liu, Y.; Cánovas, R.; Crespo, G.A.; Cuartero, M.
  Title Thin-layer potentiometry for creatinine detection in undiluted human urine using ion-exchange membranes as barriers for charged interferences Type A1 Journal article
  Year 2020 Publication Analytical Chemistry Abbreviated Journal Anal Chem
  Volume 92 Issue 4 Pages 3315-3323
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Herein, thin-layer potentiometry combined with ion-exchange membranes as barriers for charged interferences is demonstrated for the analytical detection of creatinine (CRE) in undiluted human urine. Briefly, CRE diffuses through an anion-exchange membrane (AEM) from a sample contained in one fluidic compartment to a second reservoir, containing the enzyme CRE deiminase. There, CRE reacts with the enzyme, and the formation of ammonium is dynamically monitored by potentiometric ammonium-selective electrodes. This analytical concept is integrated into a lab-on-a-chip microfluidic cell that allows for a high sample throughput and the operation under stop-flow mode, which allows CRE to passively diffuse across the AEM. Conveniently, positively charged species (i.e., potassium, sodium, and ammonium, among others) are repelled by the AEM and never reach the ammonium-selective electrodes; thus, possible interference in the response can be avoided. As a result, the dynamic potential response of the electrodes is entirely ascribed to the stoichiometric formation of ammonium. The new CRE biosensor exhibits a Nernstian slope, within a linear range of response from 1 to 50 mM CRE concentration. As expected, the response time (15–60 min) primarily depends on the CRE diffusion across the AEM. CRE analysis in urine samples displayed excellent results, without requiring sample pretreatment (before the introduction of the sample in the microfluidic chip) and with high compatibility with development into a potential point-of-care clinical tool. In an attempt to decrease the analysis time, the presented analytical methodology for CRE detection is translated into an all-solid-state platform, in which the enzyme is immobilized on the surface of the ammonium-selective electrode and with the AEM on top. While more work is necessary in this direction, the CRE sensor appears to be promising for CRE analysis in both urine and blood.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2020-01-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700; 5206-882x ISBN Additional Links (down) UA library record
  Impact Factor 7.4 Times cited Open Access
  Notes Approved Most recent IF: 7.4; 2020 IF: 6.32
  Call Number UA @ admin @ c:irua:184380 Serial 8667
Permanent link to this record
 

 
Author Ciftci, S.; Cánovas, R.; Neumann, F.; Paulraj, T.; Nilsson, M.; Crespo, G.A.; Madaboosi, N.
  Title The sweet detection of rolling circle amplification : glucose-based electrochemical genosensor for the detection of viral nucleic acid Type A1 Journal article
  Year 2020 Publication Biosensors & Bioelectronics Abbreviated Journal Biosens Bioelectron
  Volume 151 Issue Pages 112002-112008
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Herein, an isothermal padlock probe-based assay for the simple and portable detection of pathogens coupled with a glucose oxidase (GOx)-based electrochemical readout is reported. Infectious diseases remain a constant threat on a global scale, as in recurring pandemics. Rapid and portable diagnostics hold the promise to tackle the spreading of diseases and decentralising healthcare to point-of-care needs. Ebola, a hypervariable RNA virus causing fatalities of up to 90% for recent outbreaks in Africa, demands immediate attention for bedside diagnostics. The design of the demonstrated assay consists of a rolling circle amplification (RCA) technique, responsible for the generation of nucleic acid amplicons as RCA products (RCPs). The RCPs are generated on magnetic beads (MB) and subsequently, connected via streptavidin-biotin bonds to GOx. The enzymatic catalysis of glucose by the bound GOx allows for an indirect electrochemical measurement of the DNA target. The RCPs generated on the surface of the MB were confirmed by scanning electron microscopy, and among other experimental conditions such as the type of buffer, temperature, concentration of GOx, sampling and measurement time were evaluated for the optimum electrochemical detection. Accordingly, 125 μg mL−1 of GOx with 5 mM glucose using phosphate buffer saline (PBS), monitored for 1 min were selected as the ideal conditions. Finally, we assessed the analytical performance of the biosensing strategy by using clinical samples of Ebola virus from patients. Overall, this work provides a proof-of-concept bioassay for simple and portable molecular diagnostics of emerging pathogens using electrochemical detection, especially in resource-limited settings.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2019-12-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0956-5663 ISBN Additional Links (down) UA library record
  Impact Factor 12.6 Times cited Open Access
  Notes Approved Most recent IF: 12.6; 2020 IF: 7.78
  Call Number UA @ admin @ c:irua:184379 Serial 8630
Permanent link to this record
 

 
Author Thiruvottriyur Shanmugam, S.; Van Echelpoel, R.; Boeye, G.; Eliaerts, J.; Samanipour, M.; Ching, H.Y.V.; Florea, A.; Van Doorslaer, S.; Van Durme, F.; Samyn, N.; Parrilla, M.; De Wael, K.
  Title Towards developing a screening strategy for ecstasy : revealing the electrochemical profile Type A1 Journal article
  Year 2021 Publication Chemelectrochem Abbreviated Journal Chemelectrochem
  Volume 8 Issue 24 Pages 4826-4834
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract This article describes the development of an electrochemical screening strategy for 3,4-methylenedioxymethamphetamine (MDMA), the regular psychoactive compound in ecstasy (XTC) pills. We have investigated the specific electrochemical profile of MDMA and its electro-oxidation mechanisms at disposable graphite screen-printed electrodes. We have proved that the formation of a radical cation and subsequent reactions are indeed responsible for the electrode surface passivation, as evidenced by using electron paramagnetic resonance spectroscopy and electrochemistry. Thereafter, pure cutting agents and MDMA as well as simulated binary mixtures of compounds with MDMA were subjected to square wave voltammetry at pH 7 to understand the characteristic electrochemical profile. An additional measurement at pH 12 was able to resolve false positives and negatives occurring at pH 7. Finally, validation of the screening strategy was done by measuring a set of ecstasy street samples. Overall, our proposed electrochemical screening strategy has been demonstrated for the rapid, sensitive, and selective detection of MDMA, resolving most of the false positives and negatives given by the traditional Marquis color tests, thus exhibiting remarkable promises for the on-site screening of MDMA.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000735883700020 Publication Date 2021-12-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2196-0216 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.136 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.136
  Call Number UA @ admin @ c:irua:184371 Serial 8680
Permanent link to this record
 

 
Author Mushtaq, A.; Pradhan, B.; Kushavah, D.; Zhang, Y.; Wolf, M.; Schrenker, N.; Fron, E.; Bals, S.; Hofkens, J.; Debroye, E.; Pal, S.K.
  Title Third-Order Nonlinear Optical Properties and Saturation of Two-Photon Absorption in Lead-Free Double Perovskite Nanocrystals under Femtosecond Excitation Type A1 Journal article
  Year 2021 Publication Acs Photonics Abbreviated Journal Acs Photonics
  Volume 8 Issue 11 Pages 3365-3374
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Lead halide perovskites have been widely explored

in the field of photovoltaics, light-emitting diodes, and lasers due to

their outstanding linear and nonlinear optical (NLO) properties.

But, the presence of lead toxicity and low chemical stability remain

serious concerns. Lead-free double perovskite with excellent

optical properties and chemical stability could be an alternative.

However, proper examination of the NLO properties of such a

material is crucial to identify their utility for future nonlinear device

applications. Herein, we have made use of femtosecond (fs) Z-scan

technique to explore the NLO properties of Cs2AgIn0.9Bi0.1Cl6

nanocrystals (NCs). Our measurements suggest that under

nonresonant fs excitation, perovskite NCs exhibit strong twophoton

absorption (TPA). The observed saturation of TPA at high

light intensities has been explained by a customized model. Furthermore, we have demonstrated a change in the nonlinear refractive

index of the NCs under varying input intensities. The strong TPA absorption of lead-free double perovskite NCs could be used for

Kerr nonlinearity-based nonlinear applications such as optical shutters for picosecond lasers.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000757024100028 Publication Date 2021-11-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2330-4022 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 6.756 Times cited 25 Open Access OpenAccess
  Notes A.M. is thankful to IIT Mandi for his fellowship and Advanced Materials Research Centre for the experimental facilities. A.M. is also thankful to Torbjörn Pascher (Pascher Instrument) for writing the Z-scan data acquisition program. J.H. acknowledges financial support from the Research Foundation-Flanders (FWO, Grant No. G983.19N, G0A5817N, and G0H6316N) and the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04). B.P. acknowledges postdoctoral fellowship from the Research Foundation- Flanders (FWO Grant No. 1275521N). D.K. acknowledges the financial support from Science and Engineering Research Board (Grant No. PDF/2018/003146), India. N.J.S. acknowledges financial support from the Research Foundation- Flanders via a postdoctoral fellowship (FWO Grant No. 1238622N). Approved Most recent IF: 6.756
  Call Number EMAT @ emat @c:irua:184249 Serial 6832
Permanent link to this record
 

 
Author Bruggeman, P.J.; Bogaerts, A.; Pouvesle, J.M.; Robert, E.; Szili, E.J.
  Title Plasma–liquid interactions Type A1 Journal Article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
  Volume 130 Issue 20 Pages 200401
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2021-11-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979 ISBN Additional Links (down) UA library record
  Impact Factor 2.068 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 2.068
  Call Number PLASMANT @ plasmant @c:irua:184245 Serial 6830
Permanent link to this record
 

 
Author Bartholomeeusen, E.; De Cremer, G.; Kennes, K.; Hammond, C.; Hermans, I.; Lu, J.-B.; Schryvers, D.; Jacobs, P.A.; Roeffaers, M.B.J.; Hofkens, J.; Sels, B.F.; Coutino-Gonzalez, E.
  Title Optical encoding of luminescent carbon nanodots in confined spaces Type A1 Journal article
  Year 2021 Publication Chemical Communications Abbreviated Journal Chem Commun
  Volume 57 Issue 90 Pages 11952-11955
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Stable emissive carbon nanodots were generated in zeolite crystals using near infrared photon irradiation gradually converting the occluded organic template, originally used to synthesize the zeolite crystals, into discrete luminescent species consisting of nano-sized carbogenic fluorophores, as ascertained using Raman microscopy, and steady-state and time-resolved spectroscopic techniques. Photoactivation in a confocal laser fluorescence microscope allows 3D resolved writing of luminescent carbon nanodot patterns inside zeolites providing a cost-effective and non-toxic alternative to previously reported metal-based nanoclusters confined in zeolites, and opens up opportunities in bio-labelling and sensing applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000711122000001 Publication Date 2021-10-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-7345; 1364-548x ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 6.319
  Call Number UA @ admin @ c:irua:184147 Serial 6876
Permanent link to this record
 

 
Author Lezaack, M.B.; Hannard, F.; Zhao, L.; Orekhov, A.; Adrien, J.; Miettinen, A.; Idrissi, H.; Simar, A.
  Title Towards ductilization of high strength 7XXX aluminium alloys via microstructural modifications obtained by friction stir processing and heat treatments Type A1 Journal article
  Year 2021 Publication Materialia Abbreviated Journal
  Volume 20 Issue Pages 101248
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract High strength 7XXX aluminium series reach exceptional strength, higher than all other industrial aluminium alloys. However, they suffer from a lack of ductility compared to softer series. This work presents a procedure to improve the ductility of 7475 Al alloy in high strength condition, reaching a true fracture strain of 70% at full 500 MPa T6 yield strength. Using friction stir processing (FSP) and post-FSP heat treatments, 100% of industrial rolled material T6 yield stress is maintained but a 180% increase in fracture strain is measured for the processed material. This ductility improvement is studied by in-situ synchrotron X-ray tomography and is explained by the reduction of intermetallic particles size and the homogenization of their spatial distribution. Furthermore, the microstructure after FSP shows equiaxed refined grains which favour crack deviation as opposed to large cracks parallel to the elongated coarse grains in rolled plate. These results are paving the way to better formability and crashworthiness of 7XXX alloys.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000718127100006 Publication Date 2021-10-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2589-1529 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:184145 Serial 6894
Permanent link to this record
 

 
Author Hoat, D.M.; Duy Khanh Nguyen; Bafekry, A.; Vo Van On; Ul Haq, B.; Hoang, D.-Q.; Cocoletzi, G.H.; Rivas-Silva, J.F.
  Title Developing feature-rich electronic and magnetic properties in the beta-As monolayer for spintronic and optoelectronic applications by C and Si doping : a first-principles study Type A1 Journal article
  Year 2021 Publication Surfaces and interfaces Abbreviated Journal
  Volume 27 Issue Pages 101534
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In this work, the carbon (C) and silicon (Si) doping and codoping effects on beta-arsenene (As) monolayer structural, electronic, and magnetic properties have been comprehensively investigated using first-principles calculations. The studied two-dimensional (2D) materials exhibit good stability. Pristine beta-As single layer is an indirect gap semiconductor with a band gap of 1.867(2.441) eV as determined by PBE(HSE06) functional. Due to the difference in atomic size and electronic interactions, C and Si substitution induces a significant local structural distortion. Depending upon dopant concentration and doping sites, feature-rich electronic properties including non-magnetic semiconductor, magnetic semiconductor and half-metallicity may be obtained, which result from p-p interactions. High spin-polarization at the Fermi level vicinity and significant magnetism suggest As:1C, As:2C, As:1Si, As:2Si, and As:CSi systems as prospective spintronic 2D materials. While, the C-C, Si-Si, and C-Si dimer doping decreases electronic band gap, making the layer more suitable for applications in optoelectronic devices. Results presented herein may suggest an efficient approach to create novel multi-functional 2D materials from beta-As monolayer.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000711791100002 Publication Date 2021-10-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2468-0230 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:184138 Serial 6979
Permanent link to this record
 

 
Author Villarreal, R.; Lin, P.-C.; Faraji, F.; Hassani, N.; Bana, H.; Zarkua, Z.; Nair, M.N.; Tsai, H.-C.; Auge, M.; Junge, F.; Hofsaess, H.C.; De Gendt, S.; De Feyter, S.; Brems, S.; Ahlgren, E.H.; Neyts, E.C.; Covaci, L.; Peeters, F.M.; Neek-Amal, M.; Pereira, L.M.C.
  Title Breakdown of universal scaling for nanometer-sized bubbles in graphene Type A1 Journal article
  Year 2021 Publication Nano Letters Abbreviated Journal Nano Lett
  Volume 21 Issue 19 Pages 8103-8110
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We report the formation of nanobubbles on graphene with a radius of the order of 1 nm, using ultralow energy implantation of noble gas ions (He, Ne, Ar) into graphene grown on a Pt(111) surface. We show that the universal scaling of the aspect ratio, which has previously been established for larger bubbles, breaks down when the bubble radius approaches 1 nm, resulting in much larger aspect ratios. Moreover, we observe that the bubble stability and aspect ratio depend on the substrate onto which the graphene is grown (bubbles are stable for Pt but not for Cu) and trapped element. We interpret these dependencies in terms of the atomic compressibility of the noble gas as well as of the adhesion energies between graphene, the substrate, and trapped atoms.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000709549100026 Publication Date 2021-09-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 12.712 Times cited 24 Open Access OpenAccess
  Notes Approved Most recent IF: 12.712
  Call Number UA @ admin @ c:irua:184137 Serial 6857
Permanent link to this record
 

 
Author Sanchez-Iglesias, A.; Jenkinson, K.; Bals, S.; Liz-Marzan, L.M.
  Title Kinetic regulation of the synthesis of pentatwinned gold nanorods below room temperature Type A1 Journal article
  Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 125 Issue 43 Pages 23937-23944
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The synthesis of gold nanorods requires the presence of symmetry-breaking and shape-directing additives, among which bromide ions and quaternary ammonium surfactants have been reported as essential. As a result, hexadecyltrimethylammonium bromide (CTAB) has been selected as the most efficient surfactant to direct anisotropic growth. One of the difficulties arising from this selection is the low solubility of CTAB in water at room temperature, and therefore the seeded growth of gold nanorods is usually performed at 25 degrees C or above, which has restricted so far the analysis of kinetic effects derived from lower temperatures. We report a systematic study of the synthesis of gold nanorods from pentatwinned seeds using hexadecyltrimethylammonium chloride (CTAC) as the principal surfactant and a low concentration of bromide as shape-directing agent. Under these conditions, the synthesis can be performed at temperatures as low as 8 degrees C, and the corresponding kinetic effects can be studied, resulting in temperature-controlled aspect ratio tunability.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000716453300038 Publication Date 2021-10-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 6 Open Access OpenAccess
  Notes realnano; sygmaSB; This work was supported by the National Science Foundation (NSF) under award NSF CHE-1808502 (P.C. and I.J.). This work made use of the EPIC facility of Northwestern University's NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern's MRSEC program (NSF DMR-1720139). D.A E. and S.B. acknowledge funding from the European Research Council under the European Union's Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 REALNANO and Grant Agreement No. 731019 EUSMI). Approved Most recent IF: 4.536
  Call Number UA @ admin @ c:irua:184104 Serial 6868
Permanent link to this record
 

 
Author Milošević, M.V.; Mandrus, D.
  Title 2D quantum materials : magnetism and superconductivity Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
  Volume 130 Issue 18 Pages 180401
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000720289900004 Publication Date 2021-11-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; 1089-7550 ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 2.068 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 2.068
  Call Number UA @ admin @ c:irua:184090 Serial 6963
Permanent link to this record
 

 
Author Chaney, G.; Cakir, D.; Peeters, F.M.; Ataca, C.
  Title Stability of adsorption of Mg and Na on sulfur-functionalized MXenes Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
  Volume 23 Issue 44 Pages 25424-25433
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Two-dimensional materials composed of transition metal carbides and nitrides (MXenes) are poised to revolutionize energy conversion and storage. In this work, we used density functional theory (DFT) to investigate the adsorption of Mg and Na adatoms on five M2CS2 monolayers (where M = Mo, Nb, Ti, V, and Zr) for battery applications. We assessed the stability of the adatom (i.e. Na and Mg)-monolayer systems by calculating adsorption and formation energies, as well as voltages as a function of surface coverage. For instance, we found that Mo2CS2 cannot support a full layer of Na nor even a single Mg atom. Na and Mg exhibit the strongest binding on Zr2CS2, followed by Ti2CS2, Nb2CS2 and V2CS2. Using the nudged elastic band method (NEB), we computed promising diffusion barriers for both dilute and nearly full ion surface coverage cases. In the dilute ion adsorption case, a single Mg and Na atom on Ti2CS2 experience similar to 0.47 eV and similar to 0.10 eV diffusion barriers between the lowest energy sites, respectively. For a nearly full surface coverage, a Na ion moving on Ti2CS2 experiences a similar to 0.33 eV energy barrier, implying a concentration-dependent diffusion barrier. Our molecular dynamics results indicate that the three (one) layers (layer) of the Mg (Na) ion on both surfaces of Ti2CS2 remain stable at T = 300 K. While, according to voltage calculations, Zr2CS2 can store Na up to three atomic layers, our MD simulations predict that the outermost layers detach from the Zr2CS2 monolayer due to the weak interaction between Na ions and the monolayer. This suggests that MD simulations are essential to confirm the stability of an ion-electrode system – an insight that is mostly absent in previous studies.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000716024400001 Publication Date 2021-10-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 7 Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:184075 Serial 7020
Permanent link to this record
 

 
Author Tao, Z.H.; Dong, H.M.; Milošević, M.V.; Peeters, F.M.; Van Duppen, B.
  Title Tailoring dirac plasmons via anisotropic dielectric environment by design Type A1 Journal article
  Year 2021 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
  Volume 16 Issue 5 Pages 054030
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Dirac plasmons in a two-dimensional (2D) crystal are strongly affected by the dielectric properties of the environment, due to interaction of their electric field lines with the surrounding medium. Using graphene as a 2D reservoir of free carriers, one can engineer a material configuration that provides an anisotropic environment to the plasmons. In this work, we discuss the physical properties of Dirac plasmons in graphene surrounded by an arbitrary anisotropic dielectric and exemplify how h-BN-based heterostructures can be designed to bear the required anisotropic characteristics. We calculate how dielec-tric anisotropy impacts the spatial propagation of the plasmons and find that an anisotropy-induced plasmon mode emerges, together with a damping pathway, that stem from the out-of-plane off-diagonal elements in the dielectric tensor. Furthermore, we find that one can create hyperbolic plasmons by inher-iting the dielectric hyperbolicity of the designed material environment. Strong control over plasmon propagation patterns can be realized in a similar manner. Finally, we show that in this way one can also control the polarization of the light-matter excitations that constitute the plasmon. Taken together, our results promote the design of the dielectric environment as an effective path to tailor the plasmonic response of graphene on the nanoscopic level.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000720372500002 Publication Date 2021-11-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2331-7019 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.808 Times cited 2 Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.808
  Call Number UA @ admin @ c:irua:184063 Serial 7028
Permanent link to this record
 

 
Author Pinto, N.; McNaughton, B.; Minicucci, M.; Milošević, M.V.; Perali, A.
  Title Electronic transport mechanisms correlated to structural properties of a reduced graphene oxide sponge Type A1 Journal article
  Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
  Volume 11 Issue 10 Pages 2503
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We report morpho-structural properties and charge conduction mechanisms of a foamy “graphene sponge ”, having a density as low as & AP;0.07 kg/m3 and a carbon to oxygen ratio C:O & SIME; 13:1. The spongy texture analysed by scanning electron microscopy is made of irregularly-shaped millimetres-sized small flakes, containing small crystallites with a typical size of & SIME;16.3 nm. A defect density as high as & SIME;2.6 x 1011 cm-2 has been estimated by the Raman intensity of D and G peaks, dominating the spectrum from room temperature down to & SIME;153 K. Despite the high C:O ratio, the graphene sponge exhibits an insulating electrical behavior, with a raise of the resistance value at & SIME;6 K up to 5 orders of magnitude with respect to the room temperature value. A variable range hopping (VRH) conduction, with a strong 2D character, dominates the charge carriers transport, from 300 K down to 20 K. At T < 20 K, graphene sponge resistance tends to saturate, suggesting a temperature-independent quantum tunnelling. The 2D-VRH conduction originates from structural disorder and is consistent with hopping of charge carriers between sp2 defects in the plane, where sp3 clusters related to oxygen functional groups act as potential barriers.</p>
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000713174500001 Publication Date 2021-09-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2079-4991 ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 3.553 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.553
  Call Number UA @ admin @ c:irua:184050 Serial 6988
Permanent link to this record
 

 
Author Van Alphen, S.; Slaets, J.; Ceulemans, S.; Aghaei, M.; Snyders, R.; Bogaerts, A.
  Title Effect of N2 on CO2-CH4 conversion in a gliding arc plasmatron: Can this major component in industrial emissions improve the energy efficiency? Type A1 Journal Article;Plasma-based CO2-CH4 conversion
  Year 2021 Publication Journal Of Co2 Utilization Abbreviated Journal J Co2 Util
  Volume 54 Issue Pages 101767
  Keywords A1 Journal Article;Plasma-based CO2-CH4 conversion; Effect of N2; Plasma chemistry; Computational modelling; Gliding arc plasmatron; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract Plasma-based CO2 and CH4 conversion is gaining increasing interest, and a great portion of research is dedicated to adapting the process to actual industrial conditions. In an industrial context, the process needs to be able to process N2 admixtures, since most industrial gas emissions contain significant amounts of N2, and gas separations are financially costly. In this paper we therefore investigate the effect of N2 on the CO2 and CH4 conversion in a gliding arc plasmatron reactor. The addition of 20 % N2 reduces the energy cost of the conversion process by 21 % compared to a pure CO2/CH4 mixture, from 2.9 down to 2.2 eV/molec (or from 11.5 to 8.7 kJ/L), yielding a CO2 and CH4 (absolute) conversion of 28.6 and 35.9 % and an energy efficiency of 58 %. These results are among the best reported in literature for plasma-based DRM, demonstrating the benefits of N2 present in the mix. Compared to DRM results in different plasma reactor types, a low energy cost was achieved. To understand the underlying mechanisms of N2 addition, we developed a combination of four different computational models, which reveal that the beneficial effect of N2 addition is attributed to (i) a rise in the electron density (increasing the plasma conductivity, and therefore reducing the plasma power needed to sustain the plasma, which reduces the energy cost), as well as (ii) a rise in the gas temperature, which accelerates the CO2 and CH4 conversion reactions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000715057300005 Publication Date 2021-10-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2212-9820 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.292 Times cited Open Access OpenAccess
  Notes This research was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innova­ tion programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and through long-term structural fund­ing (Methusalem). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Ant­werpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 4.292
  Call Number PLASMANT @ plasmant @c:irua:184044 Serial 6827
Permanent link to this record
 

 
Author Juneja, R.; Thebaud, S.; Pandey, T.; Polanco, C.A.; Moseley, D.H.; Manley, M.E.; Cheng, Y.Q.; Winn, B.; Abernathy, D.L.; Hermann, R.P.; Lindsay, L.
  Title Quasiparticle twist dynamics in non-symmorphic materials Type A1 Journal article
  Year 2021 Publication Materials Today Physics Abbreviated Journal
  Volume 21 Issue Pages 100548
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a 'twist' dynamical description of quasiparticles (including phonons and Bloch electrons) in nonsymmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasi particle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications. (C) 2021 Published by Elsevier Ltd.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000708226400009 Publication Date 2021-09-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2542-5293 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:184040 Serial 7016
Permanent link to this record
 

 
Author Ortiz-Aguayo, D.; De Wael, K.; del Valle, M.
  Title Voltammetric sensing using an array of modified SPCE coupled with machine learning strategies for the improved identification of opioids in presence of cutting agents Type A1 Journal article
  Year 2021 Publication Journal Of Electroanalytical Chemistry Abbreviated Journal J Electroanal Chem
  Volume 902 Issue Pages 115770
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract This work reports the use of modified screen-printed carbon electrodes (SPCEs) for the identification of three drugs of abuse and two habitual cutting agents, caffeine and paracetamol, combining voltammetric sensing and chemometrics. In order to achieve this goal, codeine, heroin and morphine were subjected to Square Wave Voltammetry (SWV) at pH 7, in order to elucidate their electrochemical fingerprints. The optimized SPCEs electrode array, which have a differentiated response for the three oxidizable compounds, was derived from Carbon, Prussian blue, Cobalt (II) phthalocyanine, Copper (II) oxide, Polypyrrole and Palladium nanoparticles ink-modified carbon electrodes. Finally, Principal Component Analysis (PCA) coupled with Silhouette parameter assessment was used to select the most suitable combination of sensors for identification of drugs of abuse in presence of cutting agents.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000714415500006 Publication Date 2021-10-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1572-6657; 1873-2569 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.012 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.012
  Call Number UA @ admin @ c:irua:184018 Serial 8745
Permanent link to this record
 

 
Author Mahadi, A.H.; Ye, L.; Fairclough, S.M.; Qu, J.; Wu, S.; Chen, W.; Papaioannou, E.; Ray, B.; Pennycook, T.J.; Haigh, S.J.; Young, N.P.; Tedsree, K.; Metcalfe, I.S.; Tsang, S.C.E.
  Title Beyond surface redox and oxygen mobility at pd-polar ceria (100) interface : underlying principle for strong metal-support interactions in green catalysis Type A1 Journal article
  Year 2020 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ
  Volume 270 Issue Pages 118843
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract When ceria is used as a support for many redox catalysis involved in green catalysis, it is well-known that the overlying noble metal can gain access to a significant quantity of oxygen atoms with high mobility and fast reduction and oxidation properties under mild conditions. However, it is as yet unclear what the underlying principle and the nature of the ceria surface involved are. By using two tailored morphologies of ceria nanocrystals, namely cubes and rods, it is demonstrated from Scanning Transmission Electron Microscopy with Electron Energy Loss Spectroscopy (STEM-EELS) mapping and Pulse Isotopic Exchange (PIE) that ceria nano-cubes terminated with a polar surface (100) can give access to more than the top most layer of surface oxygen atoms. Also, they give higher oxygen mobility than ceria nanorods with a non-polar facet of (110). A new insight for the possible additional role of polar ceria surface plays in the oxygen mobility is obtained from Density Functional Theory (DFT) calculations which suggest that the (100) surface sites that has more than half-filled O on same plane can drive oxygen atoms to oxidise adsorbate(s) on Pd due to the strong electrostatic repulsion.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000526110500007 Publication Date 2020-03-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-3373 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 22.1 Times cited Open Access
  Notes Approved Most recent IF: 22.1; 2020 IF: 9.446
  Call Number UA @ admin @ c:irua:183959 Serial 6856
Permanent link to this record
 

 
Author Mustonen, K.; Hofer, C.; Kotrusz, P.; Markevich, A.; Hulman, M.; Mangler, C.; Susi, T.; Pennycook, T.J.; Hricovini, K.; Richter, C.M.; Meyer, J.C.; Kotakoski, J.; Skákalová, V.
  Title Towards Exotic Layered Materials: 2D Cuprous Iodide Type A1 Journal article
  Year 2021 Publication Advanced materials Abbreviated Journal Adv Mater
  Volume Issue Pages 2106922
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Heterostructures composed of two-dimensional (2D) materials are already opening many new possibilities in such fields of technology as electronics and magnonics, but far more could be achieved if the number and diversity of 2D materials is increased. So far, only a few dozen 2D crystals have been extracted from materials that exhibit a layered phase in ambient conditions, omitting entirely the large number of layered materials that may exist in other temperatures and pressures. Here, we demonstrate how these structures can be stabilized in 2D van der Waals stacks under room temperature via growing them directly in graphene encapsulation by using graphene oxide as the template material. Specifically, we produce an ambient stable 2D structure of copper and iodine, a material that normally only occurs in layered form at elevated temperatures between 645 and 675 K. Our results establish a simple route to the production of more exotic phases of materials that would otherwise be difficult or impossible to stabilize for experiments in ambient.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000744012500001 Publication Date 2021-12-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 19.791 Times cited Open Access OpenAccess
  Notes We acknowledge funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme Grant agreements No.~756277-ATMEN (A.M. and T.S.) and No.802123-HDEM (C.H. and T.J.P.). Computational resources from the Vienna Scientific Cluster (VSC) are gratefully acknowledged. V.S. was supported by the Austrian Science Fund (FWF) (project no. I2344-N36), the Slovak Research and Development Agency (APVV-16-0319), the project CEMEA of the Slovak Academy of Sciences, ITMS project code 313021T081 of the Research & Innovation Operational Programme and from the V4-Japan Joint Research Program (BGapEng). J.K. acknowledges the FWF funding within project P31605-N36 and M.H. the funding from Slovak Research and Development Agency via the APVV-15-0693 and APVV-19-0365 project grants. Danubia NanoTech s.r.o. has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 101008099 (CompSafeNano project) and also thanks Mr. Kamil Bernath for his support. Approved Most recent IF: 19.791
  Call Number EMAT @ emat @c:irua:183956 Serial 6834
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Author Feng, X.; Jena, H.S.; Krishnaraj, C.; Arenas-Esteban, D.; Leus, K.; Wang, G.; Sun, J.; Rüscher, M.; Timoshenko, J.; Roldan Cuenya, B.; Bals, S.; Voort, P.V.D.
  Title Creation of Exclusive Artificial Cluster Defects by Selective Metal Removal in the (Zn, Zr) Mixed-Metal UiO-66 Type A1 Journal article
  Year 2021 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume Issue Pages jacs.1c05357
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The differentiation between missing linker defects

and missing cluster defects in MOFs is difficult, thereby limiting the

ability to correlate materials properties to a specific type of defects.

Herein, we present a novel and easy synthesis strategy for the

creation of solely “missing cluster defects” by preparing mixed-metal

(Zn, Zr)-UiO-66 followed by a gentle acid wash to remove the Zn

nodes. The resulting material has the reo UiO-66 structure, typical

for well-defined missing cluster defects. The missing clusters are

thoroughly characterized, including low-pressure Ar-sorption, iDPCSTEM

at a low dose (1.5 pA), and XANES/EXAFS analysis. We

show that the missing cluster UiO-66 has a negligible number of missing linkers. We show the performance of the missing cluster

UiO-66 in CO2 sorption and heterogeneous catalysis.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000730569500001 Publication Date 2021-12-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited 29 Open Access OpenAccess
  Notes Agentschap Innoveren en Ondernemen, HBC.2019.0110 HBC.2021.0254 ; Universiteit Gent; Fonds Wetenschappelijk Onderzoek, 665501 ; Dalian University of Technology; China Scholarship Council, 201507565009 ; National Natural Science Foundation of China, 22101039 ; H2020 European Research Council, 815128 REALNANO ; sygmaSB Approved Most recent IF: 13.858
  Call Number EMAT @ emat @c:irua:183951 Serial 6833
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Author Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J.
  Title Increased Performance Improvement of Lithium-Ion Batteries by Dry Powder Coating of High-Nickel NMC with Nanostructured Fumed Ternary Lithium Metal Oxides Type A1 Journal article
  Year 2021 Publication ACS applied energy materials Abbreviated Journal ACS Appl. Energy Mater.
  Volume 4 Issue 9 Pages 8832-8848
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Dry powder coating is an effective approach to protect the surfaces of layered cathode active materials (CAMs) in lithium-ion batteries. Previous investigations indicate an incorporation of lithium ions in fumed Al2O3, ZrO2, and TiO2 coatings on LiNi0.7Mn0.15Co0.15O2 during cycling, improving the cycling performance. Here, this coating approach is transferred for the first time to fumed ternary LiAlO2, Li4Zr3O8, and Li4Ti5O12 and directly compared with their lithium-free equivalents. All materials could be processed equally and their nanostructured small aggregates accumulate on the CAM surfaces to quite homogeneous coating layers with a certain porosity. The LiNixMnyCozO2 (NMC) coated with lithium-containing materials shows an enhanced improvement in overall capacity, capacity retention, rate performance, and polarization behavior during cycling, compared to their lithium-free analogues. The highest rate performance was achieved with the fumed ZrO2 coating, while the best long-term cycling stability with the highest absolute capacity was obtained for the fumed LiAlO2-coated NMC. The optimal coating agent for NMC to achieve a balanced system is fumed Li4Ti5O12, providing a good compromise between high rate capability and good capacity retention. The coating agents prevent CAM particle cracking and degradation in the order LiAlO2 ≈ Al2O3 > Li4Ti5O12 > Li4Zr3O8 > ZrO2 > TiO2. A schematic model for the protection and electrochemical performance enhancement of high-nickel NMC with fumed metal oxide coatings is sketched. It becomes apparent that physical and chemical characteristics of the coating significantly influence the performance of NMC. A high degree of coating-layer porosity is favorable for the rate capability, while a high coverage of the surface, especially in vulnerable grain boundaries, enhances the long-term cycling stability and improves the cracking behavior of NMCs. While zirconium-containing coatings possess the best chemical properties for high rate performances, aluminum-containing coatings feature a superior chemical nature to protect high-nickel NMCs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000703338600018 Publication Date 2021-09-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2574-0962 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 15 Open Access OpenAccess
  Notes For his support in scanning electron microscopy analysis, the authors thank Erik Peldszus. N. G. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and from the Flemish Research Fund (FWO) project G0F1320N. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:183949 Serial 6823
Permanent link to this record
 

 
Author Peeters, M.
  Title The added value of Smart Product-Service Systems to real estate developments Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal
  Volume Issue Pages 117 p.
  Keywords Doctoral thesis; Economics; Engineering Management (ENM); Internet Data Lab (IDLab)
  Abstract Socially responsible investments can be defined as an investment process that integrates ethical values and environmental protection, improving social conditions, and good governance into a traditional investment decision. This integration is mainly a consequence of the growing importance that investors give to environmental, social, and governance (ESG) criteria, resulting in more sustainable development. Also, in the real estate sector, increased attention is being paid to the contributions made to integrate economic, environmental, and social factors into decisions. The ESG framework looks closely at how companies are managed, and the impact related to their market value. The factors for investors’ focus are summarized as environmental, social, and governance. The term ESG was coined in a 2004 United Nations (UN) report titled “Who Cares Wins,” aimed at raising awareness regarding the importance of environmental, social, and corporate governance issues in financial markets. The ESG criteria’s specific purpose is to guide investors in recognizing sustainable investments without evaluating how sustainable the asset is or the investment value represented by sustainability. It is essential to underline that ESG does not take specific economic interests into account. The rationale behind this apparent gap is that investors investigate the economic aspects before investing. However, by not explicitly linking ESG and economic criteria, attractive investments are often misjudged and not implemented. For example, investments that only show their value in the longer term or indirectly influence value by achieving a higher retention rate among incumbent tenants, reducing or eliminating friction costs. A product–service system (PSS) refers to a market proposition (business model) that builds on a product’s traditional functionality by incorporating additional services. Although services are already offered, the PSS function is to link the service to a product. The service thereby supports the operation of the product and generates additional benefits. It encompasses the integrated solutions of products and services to satisfy customers' needs and generate maximum value. According to Sutanto et al., a PSS is designed to focus on sustainability characterized in three dimensions. 1. The economic dimension 2. The environmental dimension 3. The social dimension When discussing sustainability in this thesis, we use the criteria listed above related to socially responsible investments. The link between PSS and ESG is that a PSS focuses on creating a sustainable system, and ESG makes sustainability more visible to investors. Therefore, when PSS are recognized and implemented in buildings, they must be evaluated using ESG analysis methods. Product-Service Systems (PSS) try to find a way to offer services on top of a product. The product is essentially secondary to the result that is delivered from the services. For example, the modem (product) that a cable company provides will be of secondary importance to the connectivity (service). Alternatively, it will be less critical how heat is made (product) than the intended set point is achieved in the building. PSSs transform the supply of products into services. In doing so, the responsibility shifts from delivering a product (once only) to continuous service delivery. Therefore, it is in the best interest of the service provider to deliver the outcome of the service as efficiently (read: lowest cost) as possible. A direct consequence of this is that the service provider will want to use the product as efficiently as possible and as long as possible to reduce his costs. Therefore, the supplier will also want to recover and maximize the reuse of his product based on the same rationale. A positive impact on the environment and the used raw materials is thus to be expected. The whole process of servitization (transforming products into services) in real estate will positively impact the Economic, Environmental and Social factors. Therefore, demonstrating this proposition is the main objective of this thesis. Smart PSS is the same idea as Product-Service systems but in which the digitization of the services plays a key role. It will be shown that by digitizing services, a broader range can be offered. It will be demonstrated that products that provide services at the building level can, through their interconnectedness, also provide services to external systems (e.g. electricity grid, urban planning, mobility, ...). At the same time, digitizing the products and services will also underpin trust in the systems and allow for proper remuneration. In this PhD, different standard systems in a building, such as the reservation system, the water heater, or the fire detection system, are equipped with additional services. A PSS is often specifically designed to focus on economic, social, and environmental dimensions. These dimensions correspond to the investor’s examination as part of the ESG analysis before investing. As the PSS is often specifically designed to integrate sustainability, there is a close link between the sustainability performance of the PSS and the ESG criteria evaluated by the investor. Throughout the work, the owner is considered to be the user of the building. It is not the case that only an owner-user can generate cash flow. In essence, if they have sufficient rights to the underlying product, any building user can activate services that generate cash flow. In today's market, it is logical that this is viewed in the owner-user context as they will usually choose the products to be installed in larger technical installations. They may have previously used a PSS or choose to move to one. However, a building’s tenant could choose to lease out their meeting rooms if they are not contractually prohibited from doing so since, in practice, contracts have begun to prohibit certain services. For example, rental contracts that actively prohibit renting out a property through platforms such as Airbnb. Thus, the user’s function could potentially impact how the PSS is designed. This work does not explicitly explore the impact of this aspect. The owner-user is assumed throughout this manuscript. The second chapter describes the state of affairs concerning PSSs in a broad framework evolving towards focusing on the real estate sector. After which, in the second chapter, ESG and the link to real estate and how smart real estate (smart buildings) is missing from this evaluation are discussed in more detail. Chapter 3 shows from a fire alarm system, which was extended with an evacuation support system, the usefulness, and the risk of data. Further work was done to demonstrate the added value in terms of Economic, Environmental and Social factors of standard installations in buildings. In Chapter 4, a simple sanitary hot water boiler is extended with a service that allows controlling this boiler according to the status of the electricity grid (surplus or shortage of energy). The supply and demand of energy on the power grid must be equal at all times. By equipping a classic water heater (product) with additional intelligence (service), it becomes possible to adjust the energy use to the grid's needs. The grid operators are prepared to pay for this. This payment can be linked to different energy markets (long term market, spot market, ...). This study looked at the fee that would have to be paid when the adjustment of the energy use can be made instantaneously so that the fee must be settled according to the prices on the imbalance market. In chapter 5, we look at the impact of the service to rent out free spaces as co-working places on a broad market (external to the building), compared to a regular reservation system. By renting out unused workplaces on a broad market, the utilization of the existing patrimony will be higher. The demand for new square meters with the same function will decrease as the supply-demand curve changes, and so will the price. This makes it less interesting to build new buildings. Less construction of new buildings will result in fewer resources being used, which will positively affect the environment. In addition, fewer new buildings with an office function will leave more space for buildings with another function. Also, the city's infrastructure will be less burdened (roads, sewerage, electricity grid,...). In The Hague, the decreasing need for new square meters of office buildings can lead to more space for affordable housing, for which the city has a great need. Chapter 6 will frame the valuation of service as a real options method that gives an impetus to a general valuation methodology to value the flexibility that Smart PSS inherently has. Finally, this thesis demonstrates that (smart) PSSs impact real estate profitability, while positively influencing environmental and social factors. Further research and the limitations of the studies conducted are documented. This PhD concludes that Product-Service systems should break the silos between different stakeholders, resulting in a lower total cost of ownership of buildings in the longer term. This can only be achieved if the valuation of Product-Service systems is done correctly and is recognized by every stakeholder in the real estate process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links (down) UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:183415 Serial 6912
Permanent link to this record
 

 
Author Van Tendeloo, M.; Bundervoet, B.; Carlier, N.; Van Beeck, W.; Mollen, H.; Lebeer, S.; Colsen, J.; Vlaeminck, S.E.
  Title Piloting carbon-lean nitrogen removal for energy-autonomous sewage treatment Type A1 Journal article
  Year 2021 Publication Environmental Science-Water Research & Technology Abbreviated Journal Environ Sci-Wat Res
  Volume 7 Issue 12 Pages 2268-2281
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Energy-autonomous sewage treatment can be achieved if nitrogen (N) removal does not rely on organic carbon (∼chemical oxygen demand, COD), so that a maximum of the COD can be redirected to energy recovery. Shortcut N removal technologies such as partial nitritation/anammox and nitritation/denitritation are therefore essential, enabling carbon- and energy-lean nitrogen removal. In this study, a novel three-reactor pilot design was tested and consisted of a denitrification, an intermittent aeration, and an anammox tank. A vibrating sieve was added for differential sludge retention time (SRT) control. The 13 m3 pilot was operated on pre-treated sewage (A-stage effluent) at 12–24 °C. Selective suppression of unwanted nitrite-oxidizing bacteria over aerobic ammonium-oxidizing bacteria was achieved with strict floccular SRT management combined with innovative aeration control, resulting in a minimal nitrate production ratio of 17 ± 10%. Additionally, anoxic ammonium-oxidizing bacteria (AnAOB) activity could be maintained in the reactor for at least 150 days because of long granular SRT management and the anammox tank. Consequently, the COD/N removal ratio of 2.3 ± 0.7 demonstrated shortcut N removal almost three times lower than the currently applied nitrification/denitrification technology. The effluent total N concentrations of 17 ± 3 mg TN per L (at 21 ± 1 °C) and 17 ± 6 mg TN per L (at 15 ± 1 °C) were however too high for application at the sewage treatment plant Nieuwveer (Breda, The Netherlands). Corresponding N removal efficiencies were 52 ± 12% and 37 ± 21%, respectively. Further development should focus on redirecting more nitrite to AnAOB in the B-stage, exploring effluent-polishing options, or cycling nitrate for increased A-stage denitrification.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000714159900001 Publication Date 2021-10-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1400 ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 2.817 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 2.817
  Call Number UA @ admin @ c:irua:183347 Serial 8383
Permanent link to this record
 

 
Author Dingenen, F.; Blommaerts, N.; Van Hal, M.; Borah, R.; Arenas-Esteban, D.; Lenaerts, S.; Bals, S.; Verbruggen, S.W.
  Title Layer-by-Layer-Stabilized Plasmonic Gold-Silver Nanoparticles on TiO2: Towards Stable Solar Active Photocatalysts Type A1 Journal article
  Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
  Volume 11 Issue 10 Pages 2624
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract To broaden the activity window of TiO2, a broadband plasmonic photocatalyst has been designed and optimized. This plasmonic ‘rainbow’ photocatalyst consists of TiO2 modified with gold–silver composite nanoparticles of various sizes and compositions, thus inducing a broadband interaction with polychromatic solar light. However, these nanoparticles are inherently unstable, especially due to the use of silver. Hence, in this study the application of the layer-by-layer technique is introduced to create a protective polymer shell around the metal cores with a very high degree of control. Various TiO2 species (pure anatase, PC500, and P25) were loaded with different plasmonic metal loadings (0–2 wt %) in order to identify the most solar active composite materials. The prepared plasmonic photocatalysts were tested towards stearic acid degradation under simulated sunlight. From all materials tested, P25 + 2 wt % of plasmonic ‘rainbow’ nanoparticles proved to be the most promising (56% more efficient compared to pristine P25) and was also identified as the most cost-effective. Further, 2 wt % of layer-by-layer-stabilized ‘rainbow’ nanoparticles were loaded on P25. These layer-by-layer-stabilized metals showed superior stability under a heated oxidative atmosphere, as well as in a salt solution. Finally, the activity of the composite was almost completely retained after 1 month of aging, while the nonstabilized equivalent lost 34% of its initial activity. This work shows for the first time the synergetic application of a plasmonic ‘rainbow’ concept and the layer-by-layer stabilization technique, resulting in a promising solar active, and long-term stable photocatalyst.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000712759800001 Publication Date 2021-10-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2079-4991 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.553 Times cited 7 Open Access OpenAccess
  Notes Research was funded by Research Foundation—Flanders (FWO), FN 700300001— Aspirant F. Dingenen. Approved Most recent IF: 3.553
  Call Number EMAT @ emat @c:irua:183281 Serial 6812
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Author Drăgan, A.-M.; Parrilla, M.; Feier, B.; Oprean, R.; Cristea, C.; De Wael, K.
  Title Analytical techniques for the detection of amphetamine-type substances in different matrices : a comprehensive review Type A1 Journal article
  Year 2021 Publication Trac-Trends In Analytical Chemistry Abbreviated Journal Trac-Trend Anal Chem
  Volume 145 Issue Pages 116447
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract This current review focuses on contributions to amphetamine-type substances (ATS) analysis. This type of synthetic illicit drugs has been increasingly present worldwide reaching 5% of the market on illicit drugs in 2019. The increment of their production in many clandestine laboratories and easy distribution among society are two of the main concerns towards the battle against synthetic drugs. Therefore, the first part of this review details the classification and mechanism of action of ATS in the human body. Second, the pharmacological and toxicological effects of ATS on human health are described to motivate the need of early detection of ATS. Subsequently, the most used laboratory-based and portable methods are presented and critically discussed along the review. Finally, a careful discussion on the advantages and disadvantages of portable techniques employed on the field are addressed as potential tools for on-site ATS detection by law enforcement officers.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000723747000009 Publication Date 2021-09-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0165-9936; 1879-3142 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 8.442 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 8.442
  Call Number UA @ admin @ c:irua:183268 Serial 7460
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Author Parrilla, M.; Vanhooydonck, A.; Watts, R.; De Wael, K.
  Title Wearable wristband-based electrochemical sensor for the detection of phenylalanine in biofluids Type A1 Journal article
  Year 2022 Publication Biosensors and bioelectronics Abbreviated Journal
  Volume 197 Issue Pages
  Keywords A1 Journal article; Engineering sciences. Technology; Product development; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Wearable electrochemical sensors are driven by the user-friendly capability of on-site detection of key biomarkers for health management. Despite the advances in biomolecule monitoring such as glucose, still, several unmet clinical challenges need to be addressed. For example, patients suffering from phenylketonuria (PKU) should be able to monitor their phenylalanine (PHE) level in a rapid, decentralized, and affordable manner to avoid high levels of PHE in the body which can lead to a profound and irreversible mental disability. Herein, we report a wearable wristband electrochemical sensor for the monitoring of PHE tackling the necessity of controlling PHE levels in PHE hydroxylase deficiency patients. The proposed electrochemical sensor is based on a screen-printed electrode (SPE) modified with a membrane consisting of Nafion, to avoid interferences in biofluids. The membrane also consists of sodium 1,2-naphthoquinone-4-sulphonate for the in situ derivatization of PHE into an electroactive product, allowing its electrochemical oxidation at the surface of the SPE in alkaline conditions. Importantly, the electrochemical sensor is integrated into a wristband configuration to enhance user interaction and engage the patient with PHE self-monitoring. Besides, a paper-based sampling strategy is designed to alkalinize the real sample without the need for sample pretreatment, and thus simplify the analytical process. Finally, the wearable device is tested for the determination of PHE in saliva and blood serum. The proposed wristband-based sensor is expected to impact the PKU self-monitoring, facilitating the daily lives of PKU patients toward optimal therapy and disease management.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000719366400003 Publication Date 2021-11-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0956-5663 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:183086 Serial 8957
Permanent link to this record
 

 
Author Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B.
  Title Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures Type A1 Journal article
  Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater
  Volume Issue Pages 015018
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000722020100001 Publication Date 2021-11-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links (down) UA library record; WoS full record
  Impact Factor 6.937 Times cited 1 Open Access OpenAccess
  Notes Approved Most recent IF: 6.937
  Call Number UA @ admin @ c:irua:183053 Serial 7036
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