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Author Chen, L.; Elibol, K.; Cai, H.; Jiang, C.; Shi, W.; Chen, C.; Wang, H.S.; Wang, X.; Mu, X.; Li, C.; Watanabe, K.; Taniguchi, T.; Guo, Y.; Meyer, J.C.; Wang, H. pdf  url
doi  openurl
  Title Direct observation of layer-stacking and oriented wrinkles in multilayer hexagonal boron nitride Type A1 Journal article
  Year (down) 2021 Publication 2d Materials Abbreviated Journal 2D Mater  
  Volume 8 Issue 2 Pages 024001  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Hexagonal boron nitride (h-BN) has long been recognized as an ideal substrate for electronic devices due to its dangling-bond-free surface, insulating nature and thermal/chemical stability. These properties of the h-BN multilayer are mainly determined by its lattice structure. Therefore, to analyse the lattice structure and orientation of h-BN crystals becomes important. Here, the stacking order and wrinkles of h-BN are investigated by transmission electron microscopy. It is experimentally confirmed that the layers in the h-BN flakes are arranged in the AA ' stacking. The wrinkles in a form of threefold network throughout the h-BN crystal are oriented along the armchair direction, and their formation mechanism was further explored by molecular dynamics simulations. Our findings provide a deep insight about the microstructure of h-BN and shed light on the structural design/electronic modulations of two-dimensional crystals.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000605937500001 Publication Date 2020-12-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.937 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:174950 Serial 6723  
Permanent link to this record
 

 
Author Yildiz, A.; Chouki, T.; Atli, A.; Harb, M.; Verbruggen, S.W.; Ninakanti, R.; Emin, S. url  doi
openurl 
  Title Efficient iron phosphide catalyst as a counter electrode in dye-sensitized solar cells Type A1 Journal article
  Year (down) 2021 Publication ACS applied energy materials Abbreviated Journal  
  Volume 4 Issue 10 Pages 10618-10626  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Developing an efficient material as a counter electrode (CE) with excellent catalytic activity, intrinsic stability, and low cost is essential for the commercial application of dye-sensitized solar cells (DSSCs). Transition metal phosphides have been demonstrated as outstanding multifunctional catalysts in a broad range of energy conversion technologies. Here, we exploited different phases of iron phosphide as CEs in DSSCs with an I–/I3–-based electrolyte. Solvothermal synthesis using a triphenylphosphine precursor as a phosphorus source allows to grow a Fe2P phase at 300 °C and a FeP phase at 350 °C. The obtained iron phosphide catalysts were coated on fluorine-doped tin oxide substrates and heat-treated at 450 °C under an inert gas atmosphere. The solar-to-current conversion efficiency of the solar cells assembled with the Fe2P material reached 3.96 ± 0.06%, which is comparable to the device assembled with a platinum (Pt) CE. DFT calculations support the experimental observations and explain the fundamental origin behind the improved performance of Fe2P compared to FeP. These results indicate that the Fe2P catalyst exhibits excellent performance along with desired stability to be deployed as an efficient Pt-free alternative in DSSCs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000711236300022 Publication Date 2021-10-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2574-0962 ISBN Additional Links 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:181953 Serial 7853  
Permanent link to this record
 

 
Author Peng, X.; Peng, H.; Zhao, K.; Zhang, Y.; Xia, F.; Lyu, J.; Van Tendeloo, G.; Sun, C.; Wu, J. pdf  doi
openurl 
  Title Direct visualization of atomic-scale heterogeneous structure dynamics in MnO₂ nanowires Type A1 Journal article
  Year (down) 2021 Publication Acs Applied Materials & Interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 13 Issue 28 Pages 33644-33651  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Manganese oxides are attracting great interest owing to their rich polymorphism and multiple valent states, which give rise to a wide range of applications in catalysis, capacitors, ion batteries, and so forth. Most of their functionalities are connected to transitions among the various polymorphisms and Mn valences. However, their atomic-scale dynamics is still a great challenge. Herein, we discovered a strong heterogeneity in the crystalline structure and defects, as well as in the Mn valence state. The transitions are studied by in situ transmission electron microscopy (TEM), and they involve a complex ordering of [MnO6] octahedra as the basic building tunnels. MnO2 nanowires synthesized using solution-based hydrothermal methods usually exhibit a large number of multiple polymorphism impurities with different tunnel sizes. Upon heating, MnO2 nanowires undergo a series of stoichiometric polymorphism changes, followed by oxygen release toward an oxygen-deficient spinel and rock-salt phase. The impurity polymorphism exhibits an abnormally high stability with interesting small-large-small tunnel size transition, which is attributed to a preferential stabilizer (K+) concentration, as well as a strong competition of kinetics and thermodynamics. Our results unveil the complicated intergrowth of polymorphism impurities in MnO2, which provide insights into the heterogeneous kinetics, thermodynamics, and transport properties of the tunnel-based building blocks.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000677540900101 Publication Date 2021-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 7.504  
  Call Number UA @ admin @ c:irua:180450 Serial 6861  
Permanent link to this record
 

 
Author Zhang, T.; Schilling, W.; Khan, S.U.; Ching, H.Y.V.; Lu, C.; Chen, J.; Jaworski, A.; Barcaro, G.; Monti, S.; De Wael, K.; Slabon, A.; Das, S. pdf  doi
openurl 
  Title Atomic-level understanding for the enhanced generation of hydrogen peroxide by the introduction of an aryl amino group in polymeric carbon nitrides Type A1 Journal article
  Year (down) 2021 Publication Acs Catalysis Abbreviated Journal Acs Catal  
  Volume 11 Issue 22 Pages 14087-14101  
  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 Heterogeneous catalysts are often & ldquo;black boxes & rdquo; due to the insufficient understanding of the detailed mechanisms at the catalytic sites. An atomic-level elucidation of the processes taking place in those regions is, thus, mandatory to produce robust and selective heterogeneous catalysts. We have improved the description of the whole reactive scenario for polymeric carbon nitrides (PCN) by combining atomic-level characterizations with magic-angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) spectroscopy, classical reactive molecular dynamics (RMD) simulations, and quantum chemistry (QC) calculations. We disclose the structure & minus;property relationships of an ad hoc modified PCN by inserting an aryl amino group that turned out to be very efficient for the production of H2O2. The main advancement of this work is the development of a difluoromethylene-substituted aryl amino PCN to generate H2O2 at a rate of 2.0 mM & middot;h & minus;1 under the irradiation of household blue LEDs and the identification of possible active catalytic sites with the aid of 15N and 19F MAS solid-state NMR without using any expensive labeling reagent. RMD simulations and QC calculations confirm and further extend the experimental descriptions by revealing the role and locations of the identified functionalities, namely, NH linkers, & minus;NH2 terminal groups, and difluoromethylene units, reactants, and products. <comment>Superscript/Subscript Available</comment  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000758012900020 Publication Date 2021-11-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.614 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 10.614  
  Call Number UA @ admin @ c:irua:187276 Serial 7534  
Permanent link to this record
 

 
Author Scolfaro, D.; Finamor, M.; Trinchao, L.O.; Rosa, B.L.T.; Chaves, A.; Santos, P., V.; Iikawa, F.; Couto, O.D.D., Jr. url  doi
openurl 
  Title Acoustically driven stark effect in transition metal dichalcogenide monolayers Type A1 Journal article
  Year (down) 2021 Publication Acs Nano Abbreviated Journal Acs Nano  
  Volume 15 Issue 9 Pages 15371-15380  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The Stark effect is one of the most efficient mechanisms to manipulate many-body states in nanostructured systems. In mono- and few-layer transition metal dichalcogenides, it has been successfully induced by optical and electric field means. Here, we tune the optical emission energies and dissociate excitonic states in MoSe2 monolayers employing the 220 MHz in-plane piezoelectric field carried by surface acoustic waves. We transfer the monolayers to high dielectric constant piezoelectric substrates, where the neutral exciton binding energy is reduced, allowing us to efficiently quench (above 90%) and red-shift the excitonic optical emissions. A model for the acoustically induced Stark effect yields neutral exciton and trion in-plane polarizabilities of 530 and 630 x 10(-5) meV/(kV/cm)(2), respectively, which are considerably larger than those reported for monolayers encapsulated in hexagonal boron nitride. Large in-plane polarizabilities are an attractive ingredient to manipulate and modulate multiexciton interactions in two-dimensional semiconductor nanostructures for optoelectronic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000703553600129 Publication Date 2021-08-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 13.942  
  Call Number UA @ admin @ c:irua:182545 Serial 7415  
Permanent link to this record
 

 
Author Bafekry, A.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Fadlallah, M.M.; Stampfl, C.; Ghergherehchi, M.; Mushtaq, M.; Feghhi, S.A.H.; Gogova, D. url  doi
openurl 
  Title Semiconducting chalcogenide alloys based on the (Ge, Sn, Pb) (S, Se, Te) formula with outstanding properties : a first-principles calculation study Type A1 Journal article
  Year (down) 2021 Publication ACS Omega Abbreviated Journal  
  Volume 6 Issue 14 Pages 9433-9441  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Very recently, a new class of the multicationic and -anionic entropy-stabilized chalcogenide alloys based on the (Ge, Sn, Pb) (S, Se, Te) formula has been successfully fabricated and characterized experimentally [Zihao Deng et al., Chem. Mater. 32, 6070 (2020)]. Motivated by the recent experiment, herein, we perform density functional theory-based first-principles calculations in order to investigate the structural, mechanical, electronic, optical, and thermoelectric properties. The calculations of the cohesive energy and elasticity parameters indicate that the alloy is stable. Also, the mechanical study shows that the alloy has a brittle nature. The GeSnPbSSeTe alloy is a semiconductor with a direct band gap of 0.4 eV (0.3 eV using spin-orbit coupling effect). The optical analysis illustrates that the first peak of Im(epsilon) for the GeSnPbSSeTe alloy along all polarization directions is located in the visible range of the spectrum which renders it a promising material for applications in optical and electronic devices. Interestingly, we find an optically anisotropic character of this system which is highly desirable for the design of polarization-sensitive photodetectors. We have accurately predicted the thermoelectric coefficients and have calculated a large power factor value of 3.7 x 10(11) W m(-1) K-2 s(-1) for p-type. The high p-type power factor is originated from the multiple valleys near the valence band maxima. The anisotropic results of the optical and transport properties are related to the specific tetragonal alloy unit cell.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000640649500012 Publication Date 2021-03-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2470-1343 ISBN Additional Links 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:178395 Serial 7017  
Permanent link to this record
 

 
Author McLachlan, G.; Majdak, P.; Reijniers, J.; Peremans, H. url  doi
openurl 
  Title Towards modelling active sound localisation based on Bayesian inference in a static environment Type A1 Journal article
  Year (down) 2021 Publication Acta Acustica Abbreviated Journal  
  Volume 5 Issue Pages 45  
  Keywords A1 Journal article; Engineering Management (ENM); Condensed Matter Theory (CMT)  
  Abstract Over the decades, Bayesian statistical inference has become a staple technique for modelling human multisensory perception. Many studies have successfully shown how sensory and prior information can be combined to optimally interpret our environment. Because of the multiple sound localisation cues available in the binaural signal, sound localisation models based on Bayesian inference are a promising way of explaining behavioural human data. An interesting aspect is the consideration of dynamic localisation cues obtained through self-motion. Here we provide a review of the recent developments in modelling dynamic sound localisation with a particular focus on Bayesian inference. Further, we describe a theoretical Bayesian framework capable to model dynamic and active listening situations in humans in a static auditory environment. In order to demonstrate its potential in future implementations, we provide results from two examples of simplified versions of that framework.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000709050000001 Publication Date 2021-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links 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:182453 Serial 7035  
Permanent link to this record
 

 
Author Baral, P.; Orekhov, A.; Dohmen, R.; Coulombier, M.; Raskin, J.P.; Cordier, P.; Idrissi, H.; Pardoen, T. url  doi
openurl 
  Title Rheology of amorphous olivine thin films characterized by nanoindentation Type A1 Journal article
  Year (down) 2021 Publication Acta Materialia Abbreviated Journal Acta Mater  
  Volume 219 Issue Pages 117257  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The rheological properties of amorphous olivine thin films deposited by pulsed laser deposition have been studied based on ambient temperature nanoindentation under constant strain-rate as well as re-laxation conditions. The amorphous olivine films exhibit a viscoelastic-viscoplastic behavior with a significant rate dependency. The strain-rate sensitivity m is equal to similar to 0 . 05 which is very high for silicates, indicating a complex out-of-equilibrium structure. The minimum apparent activation volume determined from nanoindentation experiments corresponds to Mg and Fe atomic metallic sites in the (Mg,Fe)(2)SiO4 crystalline lattice. The ambient temperature creep behavior of the amorphous olivine films differs very much from the one of single crystal olivine. This behavior directly connects to the recent demonstration of the activation of grain boundary sliding in polycrystalline olivine following grain boundary amorphization under high-stress. (C) 2021 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000706867800004 Publication Date 2021-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.301 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.301  
  Call Number UA @ admin @ c:irua:182592 Serial 6882  
Permanent link to this record
 

 
Author Yang, M.; Orekhov, A.; Hu, Z.-Y.; Feng, M.; Jin, S.; Sha, G.; Li, K.; Samaee, V.; Song, M.; Du, Y.; Van Tendeloo, G.; Schryvers, D. pdf  url
doi  openurl
  Title Shearing and rotation of β'' and β' precipitates in an Al-Mg-Si alloy under tensile deformation : in-situ and ex-situ studies Type A1 Journal article
  Year (down) 2021 Publication Acta Materialia Abbreviated Journal Acta Mater  
  Volume 220 Issue Pages 117310  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The interaction between dislocations and nano-precipitates during deformation directly influences hardening response of precipitation-strengthening metals such as Al-Mg-Si alloys. However, how coherent and semi-coherent nano-precipitates accommodate external deformation applied to an Al alloy remains to be elucidated. In-situ tensile experiments in a transmission electron microscope (TEM) were conducted to study the dynamic process of dislocations cutting through coherent needle-like beta '' precipitates with diameters of 3 similar to 8 nm. Comprehensive investigations using in-situ, ex-situ TEM and atom probe tomography uncovered that beta '' precipitates were firstly sheared into small fragments, and then the rotation of the fragments, via sliding along precipitate/matrix interfaces, destroyed their initially coherent interface with the Al matrix. In contrast, semi-coherent beta' precipitates with sizes similar to beta '' were more difficult to be fragmented and accumulation of dislocations at the interface increased interface misfit between beta' and the Al matrix. Consequently, beta' precipitates could basically maintain their needle-like shape after the tensile deformation. This research gains new insights into the interaction between nano-precipitates and dislocations. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000705535300005 Publication Date 2021-09-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.301 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.301  
  Call Number UA @ admin @ c:irua:182528 Serial 6884  
Permanent link to this record
 

 
Author Liang, Q.; Yang, D.; Xia, F.; Bai, H.; Peng, H.; Yu, R.; Yan, Y.; He, D.; Cao, S.; Van Tendeloo, G.; Li, G.; Zhang, Q.; Tang, X.; Wu, J. pdf  doi
openurl 
  Title Phase-transformation-induced giant deformation in thermoelectric Ag₂Se semiconductor Type A1 Journal article
  Year (down) 2021 Publication Advanced Functional Materials Abbreviated Journal Adv Funct Mater  
  Volume Issue Pages 2106938  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In most semiconducting metal chalcogenides, a large deformation is usually accompanied by a phase transformation, while the deformation mechanism remains largely unexplored. Herein, a phase-transformation-induced deformation in Ag2Se is investigated by in situ transmission electron microscopy, and a new ordered high-temperature phase (named as alpha '-Ag2Se) is identified. The Se-Se bonds are folded when the Ag+-ion vacancies are ordered and become stretched when these vacancies are disordered. Such a stretch/fold of the Se-Se bonds enables a fast and large deformation occurring during the phase transition. Meanwhile, the different Se-Se bonding states in alpha-, alpha '-, beta-Ag2Se phases lead to the formation of a large number of nanoslabs and the high concentration of dislocations at the interface, which flexibly accommodate the strain caused by the phase transformation. This study reveals the atomic mechanism of the deformation in Ag2Se inorganic semiconductors during the phase transition, which also provides inspiration for understanding the phase transition process in other functional materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000695142800001 Publication Date 2021-09-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1616-301x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 12.124  
  Call Number UA @ admin @ c:irua:181527 Serial 6879  
Permanent link to this record
 

 
Author Parrilla, M.; De Wael, K. pdf  url
doi  openurl
  Title Wearable self‐powered electrochemical devices for continuous health management Type A1 Journal article
  Year (down) 2021 Publication Advanced Functional Materials Abbreviated Journal Adv Funct Mater  
  Volume 31 Issue 50 Pages 2107042  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract The wearable revolution is already present in society through numerous gadgets. However, the contest remains in fully deployable wearable (bio)chemical sensing. Its use is constrained by the energy consumption which is provided by miniaturized batteries, limiting the autonomy of the device. Hence, the combination of materials and engineering efforts to develop sustainable energy management is paramount in the next generation of wearable self-powered electrochemical devices (WeSPEDs). In this direction, this review highlights for the first time the incorporation of innovative energy harvesting technologies with top-notch wearable self-powered sensors and low-powered electrochemical sensors toward battery-free and self-sustainable devices for health and wellbeing management. First, current elements such as wearable designs, electrochemical sensors, energy harvesters and storage, and user interfaces that conform WeSPEDs are depicted. Importantly, the bottlenecks in the development of WeSPEDs from an analytical perspective, product side, and power needs are carefully addressed. Subsequently, energy harvesting opportunities to power wearable electrochemical sensors are discussed. Finally, key findings that will enable the next generation of wearable devices are proposed. Overall, this review aims to bring new strategies for an energy-balanced deployment of WeSPEDs for successful monitoring of (bio)chemical parameters of the body toward personalized, predictive, and importantly, preventive healthcare.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000694642500001 Publication Date 2021-09-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1616-301x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 12.124  
  Call Number UA @ admin @ c:irua:181306 Serial 8750  
Permanent link to this record
 

 
Author Vishwakarma, M.; Kumar, M.; Hendrickx, M.; Hadermann, J.; Singh, A.P.; Batra, Y.; Mehta, B.R. pdf  url
doi  openurl
  Title Enhancing the hydrogen evolution properties of kesterite absorber by Si-doping in the surface of CZTS thin film Type A1 Journal article
  Year (down) 2021 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces  
  Volume Issue Pages 2002124  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this work, the effects of Si-doping in Cu2ZnSnS4 are examined computationally and experimentally. The density functional theory calculations show that an increasing concentration of Si (from x = 0 to x = 1) yields a band gap rise due to shifting of the conduction band minimum towards higher energy states in the Cu2Zn(Sn1-xSix)S-4. CZTSiS thin film prepared by co-sputtering process shows Cu2Zn(Sn1-xSix)S-4 (Si-rich) and Cu2ZnSnS4 (S-rich) kesterite phases on the surface and in the bulk of the sample, respectively. A significant change in surface electronic properties is observed in CZTSiS thin film. Si-doping in CZTS inverts the band bending at grain-boundaries from downward to upward and the Fermi level of CZTSiS shifts upward. Further, the coating of the CdS and ZnO layer improves the photocurrent to approximate to 5.57 mA cm(-2) at -0.41 V-RHE in the CZTSiS/CdS/ZnO sample, which is 2.39 times higher than that of pure CZTS. The flat band potential increases from CZTS approximate to 0.43 V-RHE to CZTSiS/CdS/ZnO approximate to 1.31 V-RHE indicating the faster carrier separation process at the electrode-electrolyte interface in the latter sample. CdS/ZnO layers over CZTSiS significantly reduce the charge transfer resistance at the semiconductor-electrolyte interface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000635804900001 Publication Date 2021-04-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.279 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 4.279  
  Call Number UA @ admin @ c:irua:177688 Serial 6780  
Permanent link to this record
 

 
Author Gielis, J.; Ricci, P.E.; Tavkhelidze, I. pdf  url
doi  openurl
  Title The Möbius phenomenon in Generalized Möbius-Listing surfaces and bodies, and Arnold's Cat phenomenon Type A1 Journal article
  Year (down) 2021 Publication Advanced Studies : Euro-Tbilisi Mathematical Journal Abbreviated Journal  
  Volume 14 Issue 4 Pages 17-35  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Möbius bands have been studied extensively, mainly in topology. Generalized Möbius-Listing surfaces and bodies providing a full geometrical generalization, is a quite new field, motivated originally by solutions of boundary value problems. Analogous to cutting of the original Möbius band, for this class of surfaces and bodies, results have been obtained when cutting such bodies or surfaces. In general, cutting leads to interlinked and intertwined different surfaces or bodies, resulting in very complex systems. However, under certain conditions, the result of cutting can be a single surface or body, which reduces complexity considerably. Our research is motivated by this reduction of complexity. In the study of cutting Generalized Möbius-Listing bodies with polygons as cross section, the conditions under which a single body results, displaying the Möbius phenomenon of a one-sided body, have been determined for even and odd polygons. These conditions are based on congruence and rotational symmetry of the resulting cross sections after cutting, and on the knife cutting the origin. The Möbius phenomenon is important, since the process of cutting (or separation of zones in a GML body in general) then results in a single body, not in different, intertwined domains. In all previous works it was assumed that the cross section of the GML bodies is constant, but the main result of this paper is that it is sufficient that only one cross section on the whole GML structure meets the conditions for the Möbius phenomenon to occur. Several examples are given to illustrate this.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000774655100002 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:183081 Serial 8258  
Permanent link to this record
 

 
Author Alvarez-Martin, A.; Wilcop, M.; Anderson, R.; Wendt, D.; Barden, R.; Kavich, G.M. pdf  doi
openurl 
  Title Investigation of volatile organic compounds in museum storage areas Type A1 Journal article
  Year (down) 2021 Publication Air Quality Atmosphere And Health Abbreviated Journal Air Qual Atmos Hlth  
  Volume 14 Issue 11 Pages 1797-1809  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract This study investigates the complex mixture of volatile organic compounds (VOCs) released by and accumulated within a collection of historic medicinal, pharmaceutical, and cosmetic artifacts housed at the National Museum of American History (Smithsonian Institution). In recent years, staff have become concerned, both for the safety of the objects and for personnel working in the collection, about strong unremediated odors accumulating within several storage cabinets. Museum staff also wondered if non-odorous off-gassing might need remediation. Solid-phase microextraction combined with gas chromatography–mass spectrometry analysis (SPME–GC–MS) was used to identify VOCs present in the storage room housing the collection. Over 160 compounds were detected and identified overall. Among these, 49 appeared to be directly related to ingredients used in the manufacture of many collection items. The results of the study suggest that SPME–GC–MS can be a strong tool for the rapid screening of multicomponent museum collections exhibiting off-gassing problems, before the pursuit of other more tedious analytical approaches. Additionally, the study reveals valuable insight into the characteristic volatile emission of historic medicinal, pharmaceutical, and cosmetic artifacts, increasing understanding of, and decision-making for, similar collections of objects. Eventually, it is hoped that this information can be used to inform mitigation strategies for the capture and reduction of VOCs in collections storage areas.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000659058300001 Publication Date 2021-06-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1873-9318 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.184 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.184  
  Call Number UA @ admin @ c:irua:181923 Serial 8129  
Permanent link to this record
 

 
Author Daems, E.; Moro, G.; Berghmans, H.; Moretto, L.M.; Dewilde, S.; Angelini, A.; Sobott, F.; De Wael, K. pdf  url
doi  openurl
  Title Native mass spectrometry for the design and selection of protein bioreceptors for perfluorinated compounds Type A1 Journal article
  Year (down) 2021 Publication Analyst Abbreviated Journal Analyst  
  Volume 146 Issue 6 Pages 2065-2073  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Biosensing platforms are answering the increasing demand for analytical tools for environmental monitoring of small molecules, such as per- and polyfluoroalkyl substances (PFAS). By transferring toxicological findings in bioreceptor design we can develop innovative pathways for biosensor design. Indeed, toxicological studies provide fundamental information about PFAS-biomolecule complexes that can help evaluate the applicability of the latter as bioreceptors. The toolbox of native mass spectrometry (MS) can support this evaluation, as shown by the two case studies reported in this work. The analysis of model proteins’ (i.e. albumin, haemoglobin, cytochrome c and neuroglobin) interactions with well-known PFAS, such as perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS), demonstrated the potential of this native MS screening approach. In the first case study, untreated albumin and delipidated albumin were compared in the presence and absence of PFOA confirming that the delipidation step increases albumin affinity for PFOA without affecting protein stability. In the second case study, the applicability of our methodology to identify potential bioreceptors for PFOS/PFOA was extended to other proteins. Structurally related haemoglobin and neuroglobin revealed a 1 : 1 complex, whereas no binding was observed for cytochrome c. These studies have value as a proof-of-concept for a general application of native MS to identify bioreceptors for toxic compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000631575100031 Publication Date 2021-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2654; 1364-5528 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.885 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.885  
  Call Number UA @ admin @ c:irua:177074 Serial 8294  
Permanent link to this record
 

 
Author Dillen, A.; Vandezande, W.; Daems, D.; Lammertyn, J. pdf  doi
openurl 
  Title Unraveling the effect of the aptamer complementary element on the performance of duplexed aptamers : a thermodynamic study Type A1 Journal article
  Year (down) 2021 Publication Analytical And Bioanalytical Chemistry Abbreviated Journal Anal Bioanal Chem  
  Volume 413 Issue 19 Pages 4739-4750  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Duplexed aptamers (DAs) are widespread aptasensor formats that simultaneously recognize and signal the concentration of target molecules. They are composed of an aptamer and aptamer complementary element (ACE) which consists of a short oligonucleotide that partially inhibits the aptamer sequence. Although the design principles to engineer DAs are straightforward, the tailored development of DAs for a particular target is currently based on trial and error due to limited knowledge of how the ACE sequence affects the final performance of DA biosensors. Therefore, we have established a thermodynamic model describing the influence of the ACE on the performance of DAs applied in equilibrium assays and demonstrated that this relationship can be described by the binding strength between the aptamer and ACE. To validate our theoretical findings, the model was applied to the 29-mer anti-thrombin aptamer as a case study, and an experimental relation between the aptamer-ACE binding strength and performance of DAs was established. The obtained results indicated that our proposed model could accurately describe the effect of the ACE sequence on the performance of the established DAs for thrombin detection, applied for equilibrium assays. Furthermore, to characterize the binding strength between the aptamer and ACEs evaluated in this work, a set of fitting equations was derived which enables thermodynamic characterization of DNA-based interactions through thermal denaturation experiments, thereby overcoming the limitations of current predictive software and chemical denaturation experiments. Altogether, this work encourages the development, characterization, and use of DAs in the field of biosensing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000659366300001 Publication Date 2021-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1618-2642; 1618-2650 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.431 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.431  
  Call Number UA @ admin @ c:irua:179163 Serial 8713  
Permanent link to this record
 

 
Author Sleegers, N.; van Nuijs, A.L.N.; van den Berg, M.; De Wael, K. pdf  doi
openurl 
  Title Electrochemistry of intact versus degraded cephalosporin antibiotics facilitated by LC–MS analysis Type A1 Journal article
  Year (down) 2021 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 93 Issue 4 Pages 2394-2402  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre  
  Abstract The electrochemical detection of cephalosporins is a promising approach for the monitoring of cephalosporin levels in process waters. However, this class of antibiotics, like penicillins, is composed of chemically active molecules and susceptible to hydrolysis and aminolysis of the four membered β-lactam ring present. In order to develop a smart monitoring strategy for cephalosporins, the influence of degradation (hydrolysis and aminolysis) on the electrochemical fingerprint has to be taken into account. Therefore, an investigation was carried out to understand the changes of the voltammetric fingerprints upon acidic and alkaline degradation. Changes in fingerprints were correlated to the degradation pathways through the combination of square wave voltammetry and liquid chromatography quadrupole time-of-flight analysis. The characteristic electrochemical signals of the β-lactam ring disappeared upon hydrolysis. Additional oxidation signals that appeared after degradation were elucidated and linked to different degradation products, and therefore, enrich the voltammetric fingerprints with information of the state of the cephalosporins. The applicability of the electrochemical monitoring system was explored by the analysis of the intact and degraded industrial process waters containing the key intermediate 7-aminodeacetoxycephalosporanic acid (7-ADCA). Clearly, the intact process samples exhibited the expected core signals of 7-ADCA and could be quantified, while the degraded samples only showed the newly formed degradation products.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000618089100063 Publication Date 2021-01-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:176206 Serial 7864  
Permanent link to this record
 

 
Author Alvarez-Martin, A.; Newsome, G.A.; Janssens, K. pdf  url
doi  openurl
  Title High-resolution mass spectrometry and nontraditional mass defect analysis of brominated historical pigments Type A1 Journal article
  Year (down) 2021 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 93 Issue 44 Pages 14851-14858  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract The implementation of high-resolution mass spectrometry systems offers new possibilities for the analysis of complex art samples such as historical oil paintings. However, these multicomponent systems generate large and complex data sets that require advanced visualization tools to aid interpretation, especially when no chromatographic separation is performed. In the context of this research, it was crucial to propose a data analysis tool to identify the products generated during the synthesis, drying, and aging of historical pigments. This study reports for the first time a nontraditional mass defect analysis of oil paint samples containing a fugitive brominated-organic pigment, eosin or geranium lake, by using direct infusion electrospray ionization in combination with a high-resolution Orbitrap mass spectrometer. The use of nontraditional Kendrick mass defect plots is presented in this study as a processing and visualization tool to recognize brominated species based on their specific mass defect and isotope pattern. The results demonstrate that this approach could provide valuable molecular compositional information on the degradation pathways of this pigment. We anticipate that mass defect analysis will become highly relevant in future degradation studies of many more historical organic pigments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000718171600037 Publication Date 2021-10-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:182347 Serial 8038  
Permanent link to this record
 

 
Author Trashin, S.; Morales-Yánez, F.; Thiruvottriyur Shanmugam, S.; Paredis, L.; Carrión, E.N.; Sariego, I.; Muyldermans, S.; Polman, K.; Gorun, S.M.; De Wael, K. pdf  url
doi  openurl
  Title Nanobody-based immunosensor detection enhanced by photocatalytic-electrochemical redox cycling Type A1 Journal article
  Year (down) 2021 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 93 Issue 40 Pages 13606-13614  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Detection of antigenic biomarkers present in trace amounts is of crucial importance for medical diagnosis. A parasitic disease, human toxocariasis, lacks an adequate diagnostic method despite its worldwide occurrence. The currently used serology tests may stay positive even years after a possibly unnoticed infection, whereas the direct detection of a re-infection or a still active infection remains a diagnostic challenge due to the low concentration of circulating parasitic antigens. We report a time-efficient sandwich immunosensor using small recombinant single-domain antibodies (nanobodies) derived from camelid heavy-chain antibodies specific to Toxocara canis antigens. An enhanced sensitivity to pg/mL levels is achieved by using a redox cycle consisting of a photocatalytic oxidation and electrochemical reduction steps. The photocatalytic oxidation is achieved by a photosensitizer generating singlet oxygen (1O2) that, in turn, readily reacts with p-nitrophenol enzymatically produced under alkaline conditions. The photooxidation produces benzoquinone that is electrochemically reduced to hydroquinone, generating an amperometric response. The light-driven process could be easily separated from the background, thus making amperometric detection more reliable. The proposed method for detection of the toxocariasis antigen marker shows superior performances compared to other detection schemes with the same nanobodies and outperforms by at least two orders of magnitude the assays based on regular antibodies, thus suggesting new opportunities for electrochemical immunoassays of challenging low levels of antigens.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000708550500025 Publication Date 2021-09-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:181795 Serial 8290  
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Author Beltran, V.; Marchetti, A.; Nuyts, G.; Leeuwestein, M.; Sandt, C.; Borondics, F.; De Wael, K. pdf  url
doi  openurl
  Title Nanoscale analysis of historical paintings by means of O‐PTIR spectroscopy : the identification of the organic particles in L’Arlésienne (portrait of Madame Ginoux) by Van Gogh Type A1 Journal article
  Year (down) 2021 Publication Angewandte Chemie-International Edition Abbreviated Journal Angew Chem Int Edit  
  Volume 60 Issue 42 Pages 22753-22760  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Optical-photothermal infrared (O-PTIR) spectroscopy is a recently developed technique that provides spectra comparable to traditional transmission FTIR spectroscopy with nanometric spatial resolution. Hence, O-PTIR is a promising candidate for the analysis of historical paintings, as well as other cultural heritage objects, but its potential has not yet been evaluated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000694015700001 Publication Date 2021-06-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 11.994  
  Call Number UA @ admin @ c:irua:179989 Serial 8291  
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Author Sebhatu, K.T.; Taheri, F.; Berhanu, T.; Maertens, M.; Van Passel, S.; D'Haese, M. pdf  url
doi  openurl
  Title Beyond focus : exploring variability of service provision of agricultural cooperatives Type A1 Journal article
  Year (down) 2021 Publication Annals of public and cooperative economics Abbreviated Journal  
  Volume 92 Issue 2 Pages 207-231  
  Keywords A1 Journal article; Economics; Engineering Management (ENM)  
  Abstract The wide array of services provided by agricultural cooperatives for their members is often not considered in academic studies. Addressing this gap in the literature, our paper explores the wide array of services provided by agricultural cooperatives and how these extend beyond those they were initially intended to provide. We study the extent and characteristics of service portfolios from 511 agricultural cooperatives in the Tigray region of Ethiopia. Results from two-limit Tobit models confirm that government and NGO-initiated cooperatives have a wide service portfolio compared to member-initiated cooperatives. In many of the studied cooperatives, the services they provide and their portfolios are more diverse than expected. Cooperatives seem to go beyond their focal areas of intervention. Also, those cooperatives that are more outward-oriented and where the chair has contact with other cooperatives or businesses, have a wider service portfolio. These results may help to explain the mixed findings on the impact of cooperative membership.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000583855500001 Publication Date 2020-10-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1370-4788; 1467-8292 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:173574 Serial 6916  
Permanent link to this record
 

 
Author Fu, Y.; Ding, L.; Singleton, M.L.; Idrissi, H.; Hermans, S. pdf  doi
openurl 
  Title Synergistic effects altering reaction pathways : the case of glucose hydrogenation over Fe-Ni catalysts Type A1 Journal article
  Year (down) 2021 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ  
  Volume 288 Issue Pages 119997  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Carbon black (CB) supported Ni, Fe, or Fe-Ni alloy catalysts were synthesized by sol-gel to elucidate the reaction pathways over each catalyst, as well as synergistic effects in glucose to sorbitol hydrogenation. The bimetallic materials presented small and alloyed nanoparticles that were richer in reduced metallic sites at the surface than their monometallic counterparts. Glucose isomerization to fructose was favoured over Fe/CB, while glucose hydrogenation to sorbitol is the dominating pathway over Ni/CB catalyst. By contrast, sorbitol production was promoted and undesired isomerization was suppressed when Fe and Ni formed a nanoalloy. In addition, the alloy catalyst presented better stability than the corresponding monometallic catalyst. A comparison with a mechanical mixture of Fe/CB and Ni/CB monometallic catalysts demonstrated the synergy at the nanoscale in the alloy. By comparing different Fe:Ni ratios, the 1:1 formulation was identified as the best compromise to achieve a high activity while maintaining high sorbitol selectivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000632996500002 Publication Date 2021-02-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.446 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 9.446  
  Call Number UA @ admin @ c:irua:177621 Serial 6789  
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Author Van Hal, M.; Campos, R.; Lenaerts, S.; De Wael, K.; Verbruggen, S.W. pdf  url
doi  openurl
  Title Gas phase photofuel cell consisting of WO₃- and TiO₂-photoanodes and an air-exposed cathode for simultaneous air purification and electricity generation Type A1 Journal article
  Year (down) 2021 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ  
  Volume 292 Issue Pages 120204  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Research has shown the potential of photofuel cells (PFCs) for waste water treatment, enabling the (partial) recovery of the energy released from the degraded compounds as electricity. Literature on PFCs targeting air pollution on the other hand is extremely scarce. In this work an autonomously operating air purification device targeting sustainable electricity generation is presented. Knowledge on gas phase operation of PFCs was gathered by combining photocatalytic and photoelectrochemical measurements, both for TiO2 and WO3-based photocatalysts. While TiO2-based photocatalysts performed better in direct photocatalytic experiments, they were outperformed by WO3-based photoanodes in all-gas-phase PFC operation. Not only do WO3-based photocatalysts generate the highest steady state photocurrent, they also achieved the highest fuel-to-electricity conversion (>65 %). The discrepancies between gas phase photocatalytic and photoelectrochemical processes highlight the difference in driving material properties. This study serves as a proof-of-concept towards development of an autonomous, low-cost and widely applicable waste gas-to-electricity PFC device.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000663216500001 Publication Date 2021-04-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.446 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 9.446  
  Call Number UA @ admin @ c:irua:177075 Serial 7989  
Permanent link to this record
 

 
Author Bafekry, A.; Stampfl, C.; Faraji, M.; Yagmurcukardes, M.; Fadlallah, M.M.; Jappor, H.R.; Ghergherehchi, M.; Feghhi, S.A.H. doi  openurl
  Title A Dirac-semimetal two-dimensional BeN4 : thickness-dependent electronic and optical properties Type A1 Journal article
  Year (down) 2021 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett  
  Volume 118 Issue 20 Pages 203103  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the recent experimental realization of a two-dimensional (2D) BeN4 monolayer, in this study we investigate the structural, dynamical, electronic, and optical properties of a monolayer and few-layer BeN4 using first-principles calculations. The calculated phonon band dispersion reveals the dynamical stability of a free-standing BeN4 layer, while the cohesive energy indicates the energetic feasibility of the material. Electronic band dispersions show that monolayer BeN4 is a semi-metal whose conduction and valence bands touch each other at the Sigma point. Our results reveal that increasing the layer number from single to six-layers tunes the electronic nature of BeN4. While monolayer and bilayer structures display a semi-metallic behavior, structures thicker than that of three-layers exhibit a metallic nature. Moreover, the optical parameters calculated for monolayer and bilayer structures reveal that the bilayer can absorb visible light in the ultraviolet and visible regions better than the monolayer structure. Our study investigates the electronic properties of Dirac-semimetal BeN4 that can be an important candidate for applications in nanoelectronic and optoelectronic. Published under an exclusive license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000691329900002 Publication Date 2021-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.411  
  Call Number UA @ admin @ c:irua:181725 Serial 6980  
Permanent link to this record
 

 
Author Bafekry, A.; Sarsari, I.A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Karbasizadeh, S.; Nguyen, V.; Ghergherehchi, M. url  doi
openurl 
  Title Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structures Type A1 Journal article
  Year (down) 2021 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett  
  Volume 118 Issue 14 Pages 143102  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this Letter, we explore the lattice, dynamical stability, and electronic and magnetic properties of FeTe bulk and FeX (X=S, Se, Te) monolayers using the density functional calculations. The phonon dispersion relation, elastic stability criteria, and cohesive energy results show the stability of studied FeX monolayers. The mechanical properties reveal that all FeX monolayers have a brittle nature. Furthermore, these structures are stable as we move down the 6A group in the periodic table, i.e., from S, Se, and Te. The stability and work function decrease as the electronegativity decreases. The spin-polarized electronic structures demonstrate that the FeTe monolayer has a total magnetization of 3.8 mu (B), which is smaller than the magnetization of FeTe bulk (4.7 mu (B)). However, FeSe and FeS are nonmagnetic monolayers. The FeTe monolayer can be a good candidate material for spin filter applications due to its electronic and magnetic properties. This study highlights the bright prospect for the application of FeX monolayers in electronic structures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000637703700001 Publication Date 2021-04-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.411  
  Call Number UA @ admin @ c:irua:177731 Serial 6985  
Permanent link to this record
 

 
Author Kaushik, N.K.; Bekeschus, S.; Tanaka, H.; Lin, A.; Choi, E.H. url  doi
openurl 
  Title Plasma medicine technologies Type Editorial
  Year (down) 2021 Publication Applied Sciences-Basel Abbreviated Journal Appl Sci-Basel  
  Volume 11 Issue 10 Pages 4584-4  
  Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract This Special Issue, entitled “Plasma Medicine Technologies”, covers the latest remarkable developments in the field of plasma bioscience and medicine. Plasma medicine is an interdisciplinary field that combines the principles of plasma physics, material science, bioscience, and medicine, towards the development of therapeutic strategies. A study on plasma medicine has yielded the development of new treatment opportunities in medical and dental sciences. An important aspect of this issue is the presentation of research underlying new therapeutic methods that are useful in medicine, dentistry, sterilization, and, in the current scenario, that challenge perspectives in biomedical sciences. This issue is focused on basic research on the characterization of the bioplasma sources applicable to living cells, especially to the human body, and fundamental research on the mutual interactions between bioplasma and organic–inorganic liquids, and bio or nanomaterials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000662527200001 Publication Date 2021-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.679 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 1.679  
  Call Number UA @ admin @ c:irua:178139 Serial 6771  
Permanent link to this record
 

 
Author Volykhov, A.A.; Frolov, A.S.; Neudachina, V.S.; Vladimirova, N.V.; Gerber, E.; Callaert, C.; Hadermann, J.; Khmelevsky, N.O.; Knop-Gericke, A.; Sanchez-Barriga, J.; Yashina, L.V. pdf  doi
openurl 
  Title Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi₂SeTe₂ and Sb₂SeTe₂ Type A1 Journal article
  Year (down) 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 541 Issue Pages 148490  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Three-dimensional topological insulators are exotic materials with unique properties. Tetradymite type binary chalcogenides of bismuth and antimony, as well as their mixed crystals, belong to prototypical TIs. Potential device applications of these materials require in-depth knowledge of their stability in the ambient atmosphere and other media maintained during their processing. Here we investigated the reactivity of mixed crystals with anion substitution, Bi-2(Se1-xTex)(3) and Sb2(Se1-xTex)(3), towards molecular oxygen using both in situ and ex situ X-ray photoelectron spectroscopy. The results indicate that, in contrast to cation substitution, partial substitution of tellurium by selenium atoms leads to anomalously high surface reactivity, which even exceeds that of the most reactive binary constituent. We attribute this effect to anion ordering that essentially modifies the bond geometry, especially the respective bond angles as modeled by DFT.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000608492900003 Publication Date 2020-11-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:176067 Serial 6728  
Permanent link to this record
 

 
Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Ziabari, A.A.; Khatibani, A.B.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. pdf  doi
openurl 
  Title Adsorption of habitat and industry-relevant molecules on the MoSi₂N₄ monolayer Type A1 Journal article
  Year (down) 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 564 Issue Pages 150326  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The adsorption of various environmental gas molecules, including H-2, N-2, CO, CO2, O-2, NO, NO2, SO2 H2O, H2S, NH3 and CH4, on the surface of the recently synthesized two dimensional MoSi2N4 (MSN) monolayer has been investigated by means of spin-polarized first-principles calculations. The most stable adsorption configuration, adsorption energy, and charge transfer have been computed. Due to the weak interaction between molecules studied with the MSN monolayer surface, the adsorption energy is small and does not yield any significant distortion of the MSN lattice, i.e., the interaction between the molecules and MSN monolayer surface is physisorption. We find that all molecules are physisorbed on the MSM surface with small charge transfer, acting as either charge acceptors or donors. The MSN monolayer is a semiconductor with an indirect band gap of 1.79 eV. Our theoretical estimations reveal that upon adsorption of H-2, N-2, CO, CO2, NO, H2O, H2S, NH3 and CH4 molecules, the semiconducting character of MSN monolayer is preserved and the band gap value is decreased to similar to 1.5 eV. However, the electronic properties of the MSN monolayer can be significantly altered by adsorption of O-2, NO and SO2, and a spin polarization with magnetic moments of 2, 1, 2 mu(B), respectively, can be introduced. Furthermore, we demonstrate that the band gap and the magnetic moment of adsorbed MSN monolayer can be significantly modulated by the concentration of NO and SO2 molecules. As the concentration of NO2 molecule increases, the magnetic moment increase from 1 mu(B) to 2 and 3 mu(B). In the case of the SO2 molecule with increasing of concentration, the band gap decreases from 1.2 eV to 1.1 and 0.9 eV. Obviously, our theoretical studies indicate that MSN monolayer-based sensor has a high application potential for O-2, NO, NO2 and SO2 detection.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000675534500002 Publication Date 2021-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:180421 Serial 6970  
Permanent link to this record
 

 
Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Khatibani, A.B.; Ziabari, A. abdolahzadeh; Ghergherehchi, M.; Nedaei, S.; Shayesteh, S.F.; Gogova, D. pdf  url
doi  openurl
  Title Tunable electronic and magnetic properties of MoSi₂N₄ monolayer via vacancy defects, atomic adsorption and atomic doping Type A1 Journal article
  Year (down) 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 559 Issue Pages 149862  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The two dimensional MoSi2N4 (MSN) monolayer exhibiting rich physical and chemical properties was synthesized for the first time last year. We have used the spin-polarized density functional theory to study the effect of different types of point defects on the structural, electronic, and magnetic properties of the MSN monolayer. Adsorbed, substitutionally doped (at different lattice sites), and some kind of vacancies have been considered as point defects. The computational results show all defects studied decrease the MSN monolayer band gap. We found out the H-, O-, and P-doped MSN are n-type conductors. The arsenic-doped MSN, and MSN with vacancy defects have a magnetic moment. The MSN with a Si vacancy defect is a half-metallic which is favorable for spintronic applications, while the MSN with a single N vacancy or double vacancy (N + S) defects are metallic, i. e., beneficial as spin filters and chemical sensors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000655645300001 Publication Date 2021-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:179098 Serial 7038  
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Author Alloul, A.; Wille, M.; Lucenti, P.; Bossier, P.; Van Stappen, G.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Purple bacteria as added-value protein ingredient in shrimp feed : Penaeus vannamei growth performance, and tolerance against Vibrio and ammonia stress Type A1 Journal article
  Year (down) 2021 Publication Aquaculture Abbreviated Journal Aquaculture  
  Volume 530 Issue Pages 735788  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Aquafeeds contain protein ingredients such as fishmeal and soybean meal, yet their production puts pressure on the environment. Finding novel protein sources such as dried microbial biomass produced on recovered or renewable resources, so-called single-cell protein or microbial protein, can contribute to a more sustainable aquaculture industry. New microbial protein sources are emerging with photoheterotrophic grown purple non‑sulfur bacteria (PNSB) showing high potential, yet research of PNSB as added-value protein ingredient is limited. This research studied their use as a protein source for the white leg shrimp (Penaeus vannamei) and investigated the shrimp's tolerance against Vibrio and ammonia stress. A 28-day shrimp feeding trial was performed with a commercial formulation without PNSB as experimental control (diet i), two pure PNSB species, namely Rhodopseudomonas palustris (diets ii-iii), Rhodobacter capsulatus (diets iv-v) at two protein inclusion levels of 5 and 11 g PNSBprotein 100 g−1 feedprotein and a PNSB enriched culture at a protein inclusion level of 11 g PNSBprotein 100 g−1 feedprotein (diet vi). For the shrimp fed with Rb. capsulatus, 5–25% higher individual weights (p < .05) and better feed conversion ratios were observed relative to the commercial diet (1.3–1.4 vs. control 1.7 g feed g−1 biomass; p < .05). The diet containing Rps. palustris at 5 g PNSBprotein 100 g−1 feedprotein inclusion also showed higher individual weights (26%, p < .05) and a better feed conversion ratio compared to the commercial feed (1.3 vs. control 1.7 g feed g−1 biomass; p < .05). The challenge test subsequent to the feeding trial showed a higher tolerance against ammonia (3 mg N L−1) for shrimp fed with Rps. palustris (survival 63–75% vs. 8% commercial diet; p < .05). For a post-feeding challenge test with Vibrio parahaemolyticus TW01, mortality rates were equal among all treatments. Yet, in vitro tests in 96-Well plates and agar spot assays showed that the PNSB species (i) Rps. palustris, (ii) Rb. capsulatus, (iii) Rb. sphaeroides, (iv) Rhodospirillum rubrum and (v) Afifella marina suppressed the pathogens V. parahaemolyticus TW01 and V. campbellii LMG 21363. Overall, this study demonstrated the potential of PNSB as an added-value protein ingredient in shrimp nursery feed. This can contribute to a circular economy, as PNSB can be cultivated on recovered or renewable resources (e.g. wastewater).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582169700073 Publication Date 2020-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0044-8486 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.57 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.57  
  Call Number UA @ admin @ c:irua:170549 Serial 8429  
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