Home << 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 >> [101–160]
List View
 | 
Citations
 | 
Details
   web
Records
Author Razzokov, J.; Yusupov, M.; Bogaerts, A.
Title (down) Possible Mechanism of Glucose Uptake Enhanced by Cold Atmospheric Plasma: Atomic Scale Simulations Type A1 Journal article
Year 2018 Publication Plasma Abbreviated Journal
Volume 1 Issue 1 Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasma (CAP) has shown its potential in biomedical applications, such as wound healing, cancer treatment and bacterial disinfection. Recent experiments have provided evidence that CAP can also enhance the intracellular uptake of glucose molecules which is important in diabetes therapy. In this respect, it is essential to understand the underlying mechanisms of intracellular glucose uptake induced by CAP, which is still unclear. Hence, in this study we try to elucidate the possible mechanism of glucose uptake by cells by performing computer simulations. Specifically, we study the transport of glucose molecules through native and oxidized membranes. Our simulation results show that the free energy barrier for the permeation of glucose molecules across the membrane decreases upon increasing the degree of oxidized lipids in the membrane. This indicates that the glucose permeation rate into cells increases when the CAP oxidation level in the cell membrane is increased.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2018-06-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2571-6182 ISBN Additional Links UA library record
Impact Factor Times cited Open Access OpenAccess
Notes The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @ plasma1010011c:irua:152176 Serial 4990
Permanent link to this record
 
 
Author Peeters, F.M.; Devreese, J.T.; Verbist, G.
Title (down) Possible (bi) polaron effects in the high-tc superconductors Type A1 Journal article
Year 1991 Publication Physica scripta T2 – 11TH General Conf. Of the Condensed Matter Division of the European Physical Society, April 08-11, 1991, Exeter, England Abbreviated Journal Phys Scripta
Volume T39 Issue Pages 66-70
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract In the present paper, the theory of the large bipolaron is reviewed and the possibility of bipolaron formation in the high-T(c) superconductors is indicated. Operator and path-integral formulations of the large bipolaron problem are compared. In the strong-coupling limit, the effect of non-optimal upper-bounds to the single-polaron groundstate energy is emphasized. The fact that the interaction with multiple phonon branches enhances the electron-phonon interaction and might result in a larger stability region for bipolaron formation is indicated. Experimental values for the static and high-frequency dielectric constants are used to discuss the relevance of bipolaron formation as a pair-forming mechanism in the high-T(c) superconductors.
Address
Corporate Author Thesis
Publisher Royal Swedish Acad. Sciences Place of Publication Stockholm Editor
Language Wos A1991GV57300008 Publication Date 2007-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.126 Times cited 29 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:95974 Serial 2683
Permanent link to this record
 
 
Author Cabal Rodríguez, A.E.; Leyva Pernia, D.; Schalm, O.; van Espen, P.J.M.
Title (down) Possibilities of energy-resolved X-ray radiography for the investigation of paintings Type A1 Journal article
Year 2012 Publication Analytical and bioanalytical chemistry Abbreviated Journal
Volume 402 Issue 4 Pages 1471-1480
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract X-ray radiographic images of paintings often show little or no contrast. In order to increase the contrast in radiographic images we measured the X-ray spectrum of a low power X-ray tube, after passing through the painting, with a high energy-resolution SDD detector. To obtain images, the detector is collimated with a 400 mu m diameter pinhole and the painting was moved through the beam in the x and y-direction using a dwell time of a few seconds per pixel. The data obtained consists of a data cube of, typically, 200 x 200 pixels and a 512-channel X-ray spectrum for each pixel, spanning the energy range from 0 to 40 keV. Having the absorbance spectrum available for each pixel, we are able, a posteriori, to produce images by edge subtraction for any given element. In this way high contrast, element-specific, images can be obtained. Because of the high energy-resolution a much simpler edge subtraction algorithm can be applied. We also used principal-component imaging to obtain, in a more automated way, images with high contrast. Some of these images can easily be attributed to specific elements. It turns out that preprocessing of the spectral data is crucial for the success of the multivariate image processing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000299842000008 Publication Date 2011-07-14
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 Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:96200 Serial 8394
Permanent link to this record
 
 
Author Kuriplach, J.; van Petegem, S.; Hou, M.; Van Tendeloo, G.; Schryvers, D.; et al.
Title (down) Positron annihilation study of nanocrystalline Ni3Al : simulations and measurements Type A1 Journal article
Year 2001 Publication Materials science forum T2 – 12th International Conference on Positron Annihilation (ICPA-12), AUG 06-12, 2000, UNIV BUNDERSWEHR MUNCHEN, NEUBIBERG, GERMANY Abbreviated Journal
Volume 363-3 Issue Pages 94-96
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A positron lifetime experiment is performed on samples produced by the compaction of nanocrystalline Ni3Al powder synthesized by the inert-gas condensation technique. In the lifetime spectrum we observe two components corresponding to defects. Computer (virtual) samples of n-Ni3Al are obtained using molecular dynamics combined with the Metropolis Monte Carlo technique. Positron lifetime calculations are then performed on selected regions of simulated samples. For this purpose, a new computational technique based on a generalization of the atomic superposition method for non-periodic systems was developed. Lifetimes calculated in this way are compared to experiment.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0-87849-875-3 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:102865 Serial 2681
Permanent link to this record
 
 
Author Riva, C.; Peeters, F.M.; Varga, K.
Title (down) Positively charged magneto-excitons in a semiconductor quantum well Type A1 Journal article
Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 64 Issue Pages 235301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000172867900085 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 25 Open Access
Notes Approved Most recent IF: 3.836; 2001 IF: NA
Call Number UA @ lucian @ c:irua:37279 Serial 2679
Permanent link to this record
 
 
Author Hadad, C.; Ke, X.; Carraro, M.; Sartorel, A.; Bittencourt, C.; Van Tendeloo, G.; Bonchio, M.; Quintana, M.; Prato, M.
Title (down) Positive graphene by chemical design : tuning supramolecular strategies for functional surfaces Type A1 Journal article
Year 2014 Publication Chemical communications Abbreviated Journal Chem Commun
Volume 50 Issue 7 Pages 885-887
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A diazonium based-arylation reaction was efficiently used for the covalent addition of 4-amino-N,N,N-trimethylbenzene ammonium to stable dispersions of few layer graphene (FLG) yielding an innovative FLG platform with positive charges to immobilize inorganic polyanions.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000328884500036 Publication Date 2013-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited 19 Open Access
Notes Approved Most recent IF: 6.319; 2014 IF: 6.834
Call Number UA @ lucian @ c:irua:113733 Serial 2678
Permanent link to this record
 
 
Author Riva, C.; Peeters, F.M.; Varga, K.
Title (down) Positive and negative charged excitons in a semiconductor quantum well Type A1 Journal article
Year 2001 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 227 Issue Pages 397-404
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000171986600015 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 5 Open Access
Notes Approved Most recent IF: 1.674; 2001 IF: 0.873
Call Number UA @ lucian @ c:irua:37310 Serial 2677
Permanent link to this record
 
 
Author Zhang, L.-F.; Covaci, L.; Peeters, F.M.
Title (down) Position-dependent effect of non-magnetic impurities on superconducting properties of nanowires Type A1 Journal article
Year 2015 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume 109 Issue 109 Pages 17010
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Anderson's theorem states that non-magnetic impurities do not change the bulk properties of conventional superconductors. However, as the dimensionality is reduced, the effect of impurities becomes more significant. Here we investigate superconducting nanowires with diameter comparable to the Fermi wavelength $\lambda_F$ (which is less than the superconducting coherence length) by using a microscopic description based on the Bogoliubov-de Gennes method. We find that: 1) impurities strongly affect the superconducting properties, 2) the effect is impurity position dependent, and 3) it exhibits opposite behavior for resonant and off-resonant wire widths. We show that this is due to the interplay between the shape resonances of the order parameter and the subband energy spectrum induced by the lateral quantum confinement. These effects can be used to manipulate the Josephson current, filter electrons by subband and investigate the symmetries of the superconducting subband gaps.
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos 000348592100029 Publication Date 2015-01-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0295-5075 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.957 Times cited 7 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. ; Approved Most recent IF: 1.957; 2015 IF: 2.095
Call Number UA @ lucian @ c:irua:128424 Serial 4227
Permanent link to this record
 
 
Author Aierken, Y.; Sahin, H.; Iyikanat, F.; Horzum, S.; Suslu, A.; Chen, B.; Senger, R.T.; Tongay, S.; Peeters, F.M.
Title (down) Portlandite crystal : bulk, bilayer, and monolayer structures Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 245413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ca(OH)(2) crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, vibrational, and mechanical properties of bulk, bilayer, and monolayer structures of this material. Different from other lamellar structures such as graphite and transition-metal dichalcogenides, intralayer bonding in Ca(OH)(2) is mainly ionic, while the interlayer interaction remains a weak dispersion-type force. Unlike well-known transition-metal dichalcogenides that exhibit an indirect-to-direct band gap crossover when going from bulk to a single layer, Ca(OH)(2) is a direct band gap semiconductor independent of the number layers. The in-plane Young's modulus and the in-plane shear modulus of monolayer Ca(OH)(2) are predicted to be quite low while the in-plane Poisson ratio is larger in comparison to those in the monolayer of ionic crystal BN. We measured the Raman spectrum of bulk Ca(OH)(2) and identified the high-frequency OH stretching mode A(1g) at 3620 cm(-1). In this study, bilayer and monolayer portlandite [Ca(OH)(2)] are predicted to be stable and their characteristics are analyzed in detail. Our results can guide further research on ultrathin hydroxites.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000356135600007 Publication Date 2015-06-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 29 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:126983 Serial 2675
Permanent link to this record
 
 
Author Deng, S.; Kurttepeli, M.; Cott, D.J.; Bals, S.; Detavernier, C.
Title (down) Porous nanostructured metal oxides synthesized through atomic layer deposition on a carbonaceous template followed by calcination Type A1 Journal article
Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume 3 Issue 3 Pages 2642-2649
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Porous metal oxides with nano-sized features attracted intensive interest in recent decades due to their high surface area which is essential for many applications, e.g. Li ion batteries, photocatalysts, fuel cells and dye-sensitized solar cells. Various approaches have so far been investigated to synthesize porous nanostructured metal oxides, including self-assembly and template-assisted synthesis. For the latter approach, forests of carbon nanotubes are considered as particularly promising templates, with respect to their one-dimensional nature and the resulting high surface area. In this work, we systematically investigate the formation of porous metal oxides (Al2O3, TiO2, V2O5 and ZnO) with different morphologies using atomic layer deposition on multi-walled carbon nanotubes followed by post-deposition calcination. X-ray diffraction, scanning electron microscopy accompanied by X-ray energy dispersive spectroscopy and transmission electron microscopy were used for the investigation of morphological and structural transitions at the micro- and nano-scale during the calcination process. The crystallization temperature and the surface coverage of the metal oxides and the oxidation temperature of the carbon nanotubes were found to produce significant influence on the final morphology.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000348990500019 Publication Date 2014-12-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.867 Times cited 23 Open Access OpenAccess
Notes Fwo; 239865 Cocoon; 335078 Colouratoms; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 8.867; 2015 IF: 7.443
Call Number c:irua:125298 Serial 2673
Permanent link to this record
 
 
Author Van Eyndhoven, G.; Kurttepeli, M.; van Oers, C.J.; Cool, P.; Bals, S.; Batenburg, K.J.; Sijbers, J.
Title (down) Pore REconstruction and Segmentation (PORES) method for improved porosity quantification of nanoporous materials Type A1 Journal article
Year 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 148 Issue 148 Pages 10-19
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab; Laboratory of adsorption and catalysis (LADCA)
Abstract Electron tomography is currently a versatile tool to investigate the connection between the structure and properties of nanomaterials. However, a quantitative interpretation of electron tomography results is still far from straightforward. Especially accurate quantification of pore-space is hampered by artifacts introduced in all steps of the processing chain, i.e., acquisition, reconstruction, segmentation and quantification. Furthermore, most common approaches require subjective manual user input. In this paper, the PORES algorithm POre REconstruction and Segmentation is introduced; it is a tailor-made, integral approach, for the reconstruction, segmentation, and quantification of porous nanomaterials. The PORES processing chain starts by calculating a reconstruction with a nanoporous-specific reconstruction algorithm: the Simultaneous Update of Pore Pixels by iterative REconstruction and Simple Segmentation algorithm (SUPPRESS). It classifies the interior region to the pores during reconstruction, while reconstructing the remaining region by reducing the error with respect to the acquired electron microscopy data. The SUPPRESS reconstruction can be directly plugged into the remaining processing chain of the PORES algorithm, resulting in accurate individual pore quantification and full sample pore statistics. The proposed approach was extensively validated on both simulated and experimental data, indicating its ability to generate accurate statistics of nanoporous materials.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000345973000002 Publication Date 2014-08-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 7 Open Access OpenAccess
Notes Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 2.843; 2015 IF: 2.436
Call Number c:irua:119083 Serial 2672
Permanent link to this record
 
 
Author Ji, Z.; Wang, H.; Canossa, S.; Wuttke, S.; Yaghi, O.M.
Title (down) Pore Chemistry of Metal–Organic Frameworks Type A1 Journal article
Year 2020 Publication Advanced Functional Materials Abbreviated Journal Adv Funct Mater
Volume 30 Issue 41 Pages 2000238
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The pores in metal–organic frameworks (MOFs) can be functionalized by placing chemical entities along the backbone and within the backbone. This chemistry is enabled by the architectural, thermal, and chemical robustness of the frameworks and the ability to characterize them by many diffraction and spectroscopic techniques. The pore chemistry of MOFs is articulated in terms of site isolation, coupling, and cooperation and relate that to their functions in guest recognition, catalysis, ion and electron transport, energy transfer, pore‐dynamic modulation, and interface construction. It is envisioned that the ultimate control of pore chemistry requires arranging functionalities into defined sequences and developing techniques for reading and writing such sequences within the pores.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000532830900001 Publication Date 2020-05-16
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 19 Times cited Open Access OpenAccess
Notes (Not present) Approved Most recent IF: 19; 2020 IF: 12.124
Call Number EMAT @ emat @c:irua:169485 Serial 6422
Permanent link to this record
 
 
Author Missen, O.P.; Mills, S.J.; Canossa, S.; Hadermann, J.; Nenert, G.; Weil, M.; Libowitzky, E.; Housley, R.M.; Artner, W.; Kampf, A.R.; Rumsey, M.S.; Spratt, J.; Momma, K.; Dunstan, M.A.
Title (down) Polytypism in mcalpineite : a study of natural and synthetic Cu₃TeO₆ Type A1 Journal article
Year 2022 Publication Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) Abbreviated Journal Acta Crystallogr B
Volume 78 Issue 1 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Synthetic and naturally occurring forms of tricopper orthotellurate, (Cu3TeO6)-Te-II-O-IV (the mineral mcalpineite) have been investigated by 3D electron diffraction (3D ED), X-ray powder diffraction (XRPD), Raman and infrared (IR) spectroscopic measurements. As a result of the diffraction analyses, (Cu3TeO6)-Te-II-O-IV is shown to occur in two polytypes. The higher-symmetric (Cu3TeO6)-Te-II-O-IV-1C polytype is cubic, space group 1a (3) over bar, with a = 9.537 (1) angstrom and V = 867.4 (3) angstrom(3) as reported in previous studies. The 1C polytype is a well characterized structure consisting of alternating layers of (CuO6)-O-II octahedra and both (CuO6)-O-II and (TeO6)-O-VI octahedra in a patchwork arrangement. The structure of the lower-symmetric orthorhombic (Cu3TeO6)-Te-II-O-IV-2O polytype was determined for the first time in this study by 3D ED and verified by Rietveld refinement. The 2O polytype crystallizes in space group Pcca, with a = 9.745 (3) angstrom, b = 9.749 (2) angstrom, c = 9.771 (2) angstrom and V = 928.3 (4) angstrom(3) . High-precision XRPD data were also collected on (Cu3TeO6)-Te-II-O-IV-2O to verify the lower-symmetric structure by performing a Rietveld refinement. The resultant structure is identical to that determined by 3D ED, with unit-cell parameters a = 9.56157 (19) angstrom, b = 9.55853 (11) angstrom, c = 9.62891 (15) angstrom and V = 880.03 (2) angstrom(3) . The lower symmetry of the 2O polytype is a consequence of a different cation ordering arrangement, which involves the movement of every second (CuO6)-O-II and (TeO6)-O-VI octahedral layer by (1/4, 1/4, 0), leading to an offset of (TeO6)-O-VI and (CuO6)-O-II octahedra in every second layer giving an ABAB* stacking arrangement. Syntheses of (Cu3TeO6)-Te-II-O-IV showed that low-temperature (473 K) hydrothermal conditions generally produce the 2O polytype. XRPD measurements in combination with Raman spectroscopic analysis showed that most natural mcalpineite is the orthorhombic 2O polytype. Both XRPD and Raman spectroscopy measurements may be used to differentiate between the two polytypes of (Cu3TeO6)-Te-II-O-IV. In Raman spectroscopy, (Cu3TeO6)-Te-II-O-IV-1C has a single strong band around 730 cm(-1), whereas (Cu3TeO6)-Te-II-O-IV-2O shows a broad double maximum with bands centred around 692 and 742 cm(-1).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000752899700003 Publication Date 2022-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2052-5206 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 1.9
Call Number UA @ admin @ c:irua:186529 Serial 6962
Permanent link to this record
 
 
Author Watanabe, Y.; Hyeon-Deuk, K.; Yamamoto, T.; Yabuuchi, M.; Karakulina, O.M.; Noda, Y.; Kurihara, T.; Chang, I.-Y.; Higashi, M.; Tomita, O.; Tassel, C.; Kato, D.; Xia, J.; Goto, T.; Brown, C.M.; Shimoyama, Y.; Ogiwara, N.; Hadermann, J.; Abakumov, A.M.; Uchida, S.; Abe, R.; Kageyama, H.
Title (down) Polyoxocationic antimony oxide cluster with acidic protons Type A1 Journal article
Year 2022 Publication Science Advances Abbreviated Journal
Volume 8 Issue 24 Pages eabm5379-8
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The success and continued expansion of research on metal-oxo clusters owe largely to their structural richness and wide range of functions. However, while most of them known to date are negatively charged polyoxometalates, there is only a handful of cationic ones, much less functional ones. Here, we show an all-inorganic hydroxyiodide [H(10.)7Sb(32.1)O(44)][H2.1Sb2.1I8O6][Sb0.76I6](2)center dot 25H(2)O (HSbOI), forming a face-centered cubic structure with cationic Sb32O44 clusters and two types of anionic clusters in its interstitial spaces. Although it is submicrometer in size, electron diffraction tomography of HSbOI allowed the construction of the initial structural model, followed by powder Rietveld refinement to reach the final structure. The cationic cluster is characterized by the presence of acidic protons on its surface due to substantial Sb3+ deficiencies, which enables HSbOI to serve as an excellent solid acid catalyst. These results open up a frontier for the exploration and functionalization of cationic metal-oxo clusters containing heavy main group elements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000812533800008 Publication Date 2022-06-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 13.6
Call Number UA @ admin @ c:irua:189689 Serial 7091
Permanent link to this record
 
 
Author Filippousi, M.; Altantzis, T.; Stefanou, G.; Betsiou, M.; Bikiaris, D.N.; Angelakeris, M.; Pavlidou, E.; Zamboulis, D.; Van Tendeloo, G.
Title (down) Polyhedral iron oxide coreshell nanoparticles in a biodegradable polymeric matrix : preparation, characterization and application in magnetic particle hyperthermia and drug delivery Type A1 Journal article
Year 2013 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 3 Issue 46 Pages 24367-24377
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polyhedral magnetic iron oxide nanocrystals with multiple facets have been embedded in biocompatible and biodegradable polymeric matrices in order to study their structural, magnetic features and alternating-current (AC) magnetic heating efficiency. The encapsulation of iron oxide nanoparticles into a polymer matrix was confirmed by transmission electron microscopy and further corroborated by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). HAADF-STEM tomography proved that the iron oxide nanocrystals consist of well-defined polyhedral structures with multiple facets. The magnetic features were found to be in good agreement with the structural and morphological features and are maintained even after encapsulation. Furthermore, the magnetic nanoparticles inside these matrices may be considered as good candidates for biomedical applications in hyperthermia treatments because of their high heating capacity exhibited under an alternating magnetic field. The anticancer Taxol drug was encapsulated in these nanoparticles and its physical state and release rate at 37 and 42 °C was studied.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326745100068 Publication Date 2013-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 19 Open Access
Notes Countatoms; IAP Approved Most recent IF: 3.108; 2013 IF: 3.708
Call Number UA @ lucian @ c:irua:111395 Serial 2671
Permanent link to this record
 
 
Author El-Gogary, R.I.; Rubio, N.; Wang, J.T.W.; Al-Jamal, W.T.; Bourgognon, M.; Kafa, H.; Naeem, M.; Klippstein, R.; Abbate, V.; Leroux, F.; Bals, S.; Van Tendeloo, G.; Kamel, A.O.; Awad, G.A.S.; Mortada, N.D.; Al-Jamal, K.T.;
Title (down) Polyethylene glycol conjugated polymeric nanocapsules for targeted delivery of quercetin to folate-expressing cancer cells in vitro and in vivo Type A1 Journal article
Year 2014 Publication ACS nano Abbreviated Journal Acs Nano
Volume 8 Issue 2 Pages 1384-1401
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In this work we describe the formulation and characterization of chemically modified polymeric nanocapsules incorporating the anticancer drug, quercetin, for the passive and active targeting to tumors. Folic acid was conjugated to poly(lactide-co-glycolide) (PLGA) polymer to facilitate active targeting to cancer cells. Two different methods for the conjugation of PLGA to folic acid were employed utilizing polyethylene glycol (PEG) as a spacer. Characterization of the conjugates was performed using FTIR and H-1 NMR studies. The PEG and folk acid content was independent of the conjugation methodology employed. PEGylation has shown to reduce the size of the nanocapsule; moreover, zeta-potential was shown to be polymer-type dependent. Comparative studies on the cytotoxicity and cellular uptake of the different formulations by He La cells, in the presence and absence of excess folic acid, were carried out using MTT assay and Confocal Laser Scanning Microscopy, respectively. Both results confirmed the selective uptake and cytotoxicity of the folic acid targeted nanocapsules to the folate enriched cancer cells in a folate-dependent manner. Finally, the passive tumor accumulation and the active targeting of the nanocapsules to folate-expressing cells were confirmed upon intravenous administration in He La or IGROV-1 tumor-bearing mice. The developed nanocapsules provide a system for targeted delivery of a range of hydrophobic anticancer drugs in vivo.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000332059200032 Publication Date 2014-01-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited 144 Open Access Not_Open_Access
Notes 290023 Raddel; 262348 Esmi; Iap-Pai Approved Most recent IF: 13.942; 2014 IF: 12.881
Call Number UA @ lucian @ c:irua:115862 Serial 2670
Permanent link to this record
 
 
Author Van de Walle, E.; Van Nieuwenhove, I.; Vanderleyden, E.; Declercq, H.; Gellynck, K.; Schaubroeck, D.; Ottevaere, H.; Thienpont, H.; De Vos, W.H.; Cornelissen, M.; Van Vlierberghe, S.; Dubruel, P.
Title (down) Polydopamine-gelatin as universal cell-interactive coating for methacrylate-based medical device packaging materials : when surface chemistry overrules substrate bulk properties Type A1 Journal article
Year 2016 Publication Biomacromolecules Abbreviated Journal
Volume 17 Issue 1 Pages 56-68
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Despite its widespread application in the fields of ophthalmology, orthopedics and dentistry and the stringent need for polymer packagings that induce in vivo tissue integration, the full potential of poly(methyl methacrylate) (PMMA) and its derivatives as medical device packaging material has not been explored yet. We therefore elaborated on the development of a universal coating for methacrylate-based materials which ideally should reveal cell-interactivity irrespective of the polymer substrate bulk properties. Within this perspective, the present work reports on the UV-induced synthesis of PMMA and its more flexible poly(ethyleneglycol) (PEG)-based derivative (PMMAPEG) and its subsequent surface decoration using polydopamine (PDA) as well as PDA combined with gelatin B (Gel B). Successful application of both layers was confirmed by multiple surface characterization techniques. The cell interactivity of the materials was studied by performing live-dead assays and immunostainings of the cytoskeletal components of fibroblasts. It can be concluded that only the combination of PDA and Gel B yields materials posessing similar cell interactivities, irrespective of the physicochemical properties of the underlying substrate. The proposed coating outperforms both the PDA functionalized and the pristine polymer surfaces. A universal cell-interactive coating for methacrylate-based medical device packaging materials has thus been realized.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000368047800007 Publication Date 2015-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1525-7797 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:129159 Serial 8393
Permanent link to this record
 
 
Author Hai, G.Q.; Peeters, F.M.; Devreese, J.T.
Title (down) Polaron-cyclotron-resonance spectrum resulting from interface- and slab-phonon modes in a GaAs/AlAs quantum well Type A1 Journal article
Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 47 Issue 16 Pages 10358-10374
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract The effects of interface optical-phonon and confined slab LO-phonon modes on the polaron cyclotron-resonance frequency are investigated for a GaAs/AlAs quantum well. Using degenerate second-order perturbation theory, the polaron Landau levels are calculated and the polaron resonant region is investigated. In order to know the relative importance of the different resonant frequencies we present a full calculation of the magneto-optical absorption spectrum. At a fixed magnetic field we found four different peaks in the absorption spectrum. The relative oscillator strength of the different peaks changes with increasing magnetic field. For comparative purposes, the polaron Landau levels and cyclotron mass are also calculated using only the bulk LO-phonon modes. The influence of the finiteness of the confinement potential is investigated. We found that the interface-phonon modes influence the magnetopolaron resonance considerably near the optical-phonon frequencies for narrow wells. In the limit of zero magnetic field we recover our previous results and in the case of an infinite-barrier quantum well we are able to recover the results for a two- and three-dimensional system.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1993LA29800034 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 69 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:5739 Serial 2663
Permanent link to this record
 
 
Author Farias, G.A.; Peeters, F.M.
Title (down) Polaron impurity states on a liquid helium film Type A1 Journal article
Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 55 Issue Pages 3763-3768
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1997WJ87500071 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 8 Open Access
Notes Approved Most recent IF: 3.836; 1997 IF: NA
Call Number UA @ lucian @ c:irua:19288 Serial 2669
Permanent link to this record
 
 
Author Covaci, L.; Berciu, M.
Title (down) Polaron formation in the presence of Rashba spin-orbit coupling: implications for spintronics Type A1 Journal article
Year 2009 Publication Physical Review Letters Abbreviated Journal Phys Rev Lett
Volume 102 Issue 18 Pages 186403
Keywords A1 Journal article
Abstract We study the effects of the Rashba spin-orbit coupling on polaron formation, using a suitable generalization of the momentum average approximation. While previous work on a parabolic band model found that spin-orbit coupling increases the effective mass, we show that the opposite holds for a tight-binding model, unless both the spin-orbit and the electron-phonon couplings are weak. It is thus possible to lower the effective mass of the polaron by increasing the spin-orbit coupling. We also show that when the spin-orbit coupling is large as compared to the phonon energy, the polaron retains only one of the spin-polarized bands in its coherent spectrum. This has major implications for the propagation of spin-polarized currents in such materials, and thus for spintronic applications.
Address Department of Physics, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z1
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000265948600049 Publication Date 2009-05-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links
Impact Factor 8.462 Times cited 25 Open Access
Notes Approved Most recent IF: 8.462; 2009 IF: 7.328
Call Number UA @ lucian @ Serial 4434
Permanent link to this record
 
 
Author Hai, G.-Q.; Studart, N.; Peeters, F.M.
Title (down) Polaron effects on cyclotron mass due to interface and slab phonons in GaAs/AlGaAs quantum wells Type A1 Journal article
Year 1996 Publication Brazilian journal of physics Abbreviated Journal Braz J Phys
Volume 26 Issue Pages 219-221
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication São Paulo Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0103-9733 ISBN Additional Links UA library record
Impact Factor 0.81 Times cited Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:15818 Serial 2668
Permanent link to this record
 
 
Author Peeters, F.M.; Devreese, J.T.
Title (down) Polaron effects in heterostructures, quantum wells and superlattices Type P1 Proceeding
Year 1994 Publication Abbreviated Journal
Volume Issue Pages 99-138
Keywords P1 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Wiley Place of Publication New York Editor
Language Wos A1994BD62P00004 Publication Date 0000-00-00
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 1 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:9286 Serial 2667
Permanent link to this record
 
 
Author Farias, G.A.; Costa Filho, R.N.; Peeters, F.M.; Studart, N.
Title (down) Polaron effects in electron channels on a helium film Type A1 Journal article
Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 64 Issue Pages 104301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000170978400033 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 2 Open Access
Notes Approved Most recent IF: 3.836; 2001 IF: NA
Call Number UA @ lucian @ c:irua:37285 Serial 2666
Permanent link to this record
 
 
Author Shi, J.M.; Peeters, F.M.; Farias, G.A.; Freire, J.A.K.; Hai, G.Q.; Devreese, J.T.; Bednarek, S.; Adamowski, J.
Title (down) Polaron effect on D- centers in weakly polar semiconductors Type A1 Journal article
Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 57 Issue Pages 3900-3904
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000072163300041 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 28 Open Access
Notes Approved Most recent IF: 3.836; 1998 IF: NA
Call Number UA @ lucian @ c:irua:21907 Serial 2665
Permanent link to this record
 
 
Author Hai, G.Q.; Peeters, F.M.; Devreese, J.T.
Title (down) Polaron cyclotron resonance spectrum with interface optical phonon modes in GaAs/AlAs quantum wells Type H3 Book chapter
Year 1993 Publication Abbreviated Journal
Volume Issue Pages 243-252
Keywords H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Kluwer Place of Publication Dordrecht Editor
Language Wos A1993BY55J00024 Publication Date 0000-00-00
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
Notes Approved
Call Number UA @ lucian @ c:irua:5743 Serial 2664
Permanent link to this record
 
 
Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
Title (down) Polaron correction to the D-center in a quantum well Type A1 Journal article
Year 1993 Publication Physica: B : condensed matter Abbreviated Journal Physica B
Volume 184 Issue Pages 417-421
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993KU62100082 Publication Date 2002-10-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.319 Times cited 8 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:5740 Serial 2662
Permanent link to this record
 
 
Author Bending, S.J.; Milošević, M.V.; Moshchalkov, V.V.
Title (down) Polarity-dependent vortex pinning and spontaneous vortex-antivortex structures in superconductor/ferromagnet hybrids Type H1 Book chapter
Year 2010 Publication Abbreviated Journal
Volume Issue Pages 299-322
Keywords H1 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Springer Place of Publication Berlin Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-3-642-15136-1 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:106139 Serial 2659
Permanent link to this record
 
 
Author Li, M.R.; Walker, D.; Retuerto, M.; Sarkar, T.; Hadermann, J.; Stephens, P.W.; Croft, M.; Ignatov, A.; Grams, C.P.; Hemberger, J.; Nowik, I.; Halasyamani, P.S.; Tran, T.T.; Mukherjee, S.; Dasgupta, T.S.; Greenblatt, M.;
Title (down) Polar and magnetic Mn2FeMO6 (M=Nb, Ta) with LiNbO3-type structure : high-pressure synthesis Type A1 Journal article
Year 2013 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 52 Issue 32 Pages 8406-8410
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000322631600044 Publication Date 2013-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 53 Open Access
Notes Approved Most recent IF: 11.994; 2013 IF: 11.336
Call Number UA @ lucian @ c:irua:110749 Serial 2657
Permanent link to this record
 
 
Author Retuerto, M.; Li, M.R.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Chi, S.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Tran, T.T.; Halasyamani, P.S.; Grams, C.P.; Hemberger, J.; Greenblatt, M.;
Title (down) Polar and magnetic layered A-site and rock salt B-site-ordered NaLnFeWO6 (Ln = La, Nd) perovskites Type A1 Journal article
Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 52 Issue 21 Pages 12482-12491
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We have expanded the double perovskite family of materials with the unusual combination of layered order in the A sublattice and rock salt order over the B sublattice to compounds NaLaFeWO6 and NaNdFeWO6. The materials have been synthesized and studied by powder X-ray diffraction, neutron diffraction, electron diffraction, magnetic measurements, X-ray absorption spectroscopy, dielectric measurements, and second harmonic generation. At room temperature, the crystal structures of both compounds can be defined in the noncentrosymmetric monoclinic P2(1) space group resulting from the combination of ordering both in the A and B sublattices, the distortion of the cell due to tilting of the octahedra, and the displacement of certain cations. The magnetic studies show that both compounds are ordered antiferromagnetically below T-N approximate to 25 K for NaLaFeWO6 and at similar to 21 K for NaNdFeWO6. The magnetic structure of NaNdFeWO6 has been solved with a propagation vector k = (1/2 0 1/2) as an antiferromagnetic arrangement of Fe and Nd moments. Although the samples are potential multiferroics, the dielectric measurements do not show a ferroelectric response.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000326669200035 Publication Date 2013-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 17 Open Access
Notes Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:112714 Serial 2656
Permanent link to this record
 
 
Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Mortazavi, B.; Ziabari, A.A.; Khatibani, A.B.; Nguyen, C., V; Ghergherehchi, M.; Gogova, D.
Title (down) Point defects in a two-dimensional ZnSnN₂ nanosheet : a first-principles study on the electronic and magnetic properties Type A1 Journal article
Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 125 Issue 23 Pages 13067-13075
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The reduction of dimensionality is a very effective way to achieve appealing properties in two-dimensional materials (2DMs). First-principles calculations can greatly facilitate the prediction of 2DM properties and find possible approaches to enhance their performance. We employed first-principles calculations to gain insight into the impact of different types of point defects (vacancies and substitutional dopants) on the electronic and magnetic properties of a ZnSnN2 (ZSN) monolayer. We show that Zn, Sn, and N + Zn vacancy-defected structures are p-type conducting, while the defected ZSN with a N vacancy is n-type conducting. For substitutional dopants, we found that all doped structures are thermally and energetically stable. The most stable structure is found to be B-doping at the Zn site. The highest work function value (5.0 eV) has been obtained for Be substitution at the Sn site. Li-doping (at the Zn site) and Be-doping (at the Sn site) are p-type conducting, while B-doping (at the Zn site) is n-type conducting. We found that the considered ZSN monolayer-based structures with point defects are magnetic, except those with the N vacancy defects and Be-doped structures. The ab initio molecular dynamics simulations confirm that all substitutionally doped and defected structures are thermally stable. Thus, our results highlight the possibility of tuning the magnetism in ZnSnN2 monolayers through defect engineering.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000664312500063 Publication Date 2021-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:179741 Serial 7012
Permanent link to this record