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| Author | Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. | ||||
| Title | Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS applied electronic materials | Abbreviated Journal | |
| Volume | 5 | Issue | 11 | Pages | 5852-5863 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001096792500001 | Publication Date | 2023-10-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
ISSN  |
2637-6113 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:201198 | Serial | 9026 | ||
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| Author | Madan, I.; Kusar, P.; Baranov, V.V.; Lu-Dac, M.; Kabanov, V.V.; Mertelj, T.; Mihailovic, D. | ||||
| Title | Real-time measurement of the emergence of superconducting order in a high-temperature superconductor | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 93 | Issue | 22 | Pages | 224520 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Systems which rapidly evolve through symmetry-breaking transitions on timescales comparable to the fluctuation timescale of the single-particle excitations may behave very differently than under controlled near-ergodic conditions. A real-time investigation with high temporal resolution may reveal insights into the ordering through the transition that are not available in static experiments. We present an investigation of the system trajectory through a normal-to-superconductor transition in a prototype high-temperature superconducting cuprate in which such a situation occurs. Using a multiple pulse femtosecond spectroscopy technique we measure the system trajectory and time evolution of the single-particle excitations through the transition in La1.9Sr0.1CuO4 and compare the data to a simulation based on the time-dependent Ginzburg-Landau theory, using the laser excitation fluence as an adjustable parameter controlling the quench conditions in both experiment and theory. The comparison reveals the presence of significant superconducting fluctuations which precede the transition on short timescales. By including superconducting fluctuations as a seed for the growth of the superconducting order we can obtain a satisfactory agreement of the theory with the experiment. Remarkably, the pseudogap excitations apparently play no role in this process. | ||||
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| Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
| Language | Wos | 000378815800003 | Publication Date | 2016-07-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 5 | Open Access | |
| Notes | ; We wish to acknowledge the useful discussion with T. W. Kibble regarding the importance of a variable quench rate in the experiment. The funding was provided by European Research Council advanced grant TRAJECTORY. ; | Approved | Most recent IF: 3.836 | ||
| Call Number | UA @ lucian @ c:irua:144701 | Serial | 4683 | ||
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| Author | Sanchez-Barriga, J.; Aguilera, I.; Yashina, L., V; Tsukanova, D.Y.; Freyse, F.; Chaika, A.N.; Callaert, C.; Abakumov, A.M.; Hadermann, J.; Varykhalov, A.; Rienks, E.D.L.; Bihlmayer, G.; Blugel, S.; Rader, O. | ||||
| Title | Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review B | Abbreviated Journal | |
| Volume | 98 | Issue | 23 | Pages | 235110 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Using spin- and angle-resolved photoemission spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi1-xInx)(2)Se-3)(2)Se-3 bulk single crystals around the critical point of the trivial to topological insulator quantum-phase transition. By increasing x, we observe how a surface gap opens at the Dirac point of the initially gapless topological surface state of Bi2Se3, leading to the existence of massive fermions. The surface gap monotonically increases for a wide range of x values across the topological and trivial sides of the quantum-phase transition. By means of photon-energy-dependent measurements, we demonstrate that the gapped surface state survives the inversion of the bulk bands which occurs at a critical point near x = 0.055. The surface state exhibits a nonzero in-plane spin polarization which decays exponentially with increasing x, and which persists in both the topological and trivial insulator phases. Our calculations reveal qualitative agreement with the experimental results all across the quantum-phase transition upon the systematic variation of the spin-orbit coupling strength. A non-time-reversal symmetry-breaking mechanism of bulk-mediated scattering processes that increase with decreasing spin-orbit coupling strength is proposed as explanation. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000452322800003 | Publication Date | 2018-12-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2469-9969; 2469-9950 | 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:156240 | Serial | 7462 | ||
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| Author | Surmenev, R.A.; Grubova, I.Y.; Neyts, E.; Teresov, A.D.; Koval, N.N.; Epple, M.; Tyurin, A.I.; Pichugin, V.F.; Chaikina, M.V.; Surmeneva, M.A. | ||||
| Title | Ab initio calculations and a scratch test study of RF-magnetron sputter deposited hydroxyapatite and silicon-containing hydroxyapatite coatings | Type | A1 Journal article | ||
| Year | 2020 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 21 | Issue | Pages | ||
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | A crucial property for implants is their biocompatibility. To ensure biocompatibility, thin coatings of hydroxyapatite (HA) are deposited on the actual implant. In this study, we investigate the effects of the addition of silicate anions to the structure of hydroxyapatite coatings on their adhesion strength via a scratch test and ab initio calculations. We find that both the grain size and adhesion strength decrease with the increase in the silicon content in the HA coating (SiHA). The increase in the silicon content to 1.2 % in the HA coating leads to a decrease in the average crystallite size from 28 to 21 nm, and in the case of 4.6 %, it leads to the formation of an amorphous or nanocrystalline film. The decreases in the grain and crystallite sizes lead to peeling and destruction of the coating from the titanium substrate at lower loads. Further, our ab initio simulations demonstrate an increased number of molecular bonds at the amorphous SiHA-TiO2 interface. However, the experimental results revealed that the structure and grain size have more pronounced effects on the adhesion strength of the coatings. In conclusion, based on the results of the ab initio simulations and the experimental results, we suggest that the presence of Si in the form of silicate ions in the HA coating has a significant impact on the structure, grain size, and number of molecular bonds at the interface and on the adhesion strength of the SiHA coating to the titanium substrate. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000697616300009 | Publication Date | 2020-10-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2468-0230 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.2 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 6.2; 2020 IF: NA | |||
| Call Number | UA @ admin @ c:irua:181685 | Serial | 7400 | ||
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| Author | Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M. | ||||
| Title | Electron pairing: from metastable electron pair to bipolaron | Type | A1 Journal article | ||
| Year | 2018 | Publication | Journal of physics communications | Abbreviated Journal | |
| Volume | 2 | Issue | 3 | Pages | Unsp 035017 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band. | ||||
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| Publisher | IOP Publishing | Place of Publication | Bristol | Editor | |
| Language | Wos | 000434996900022 | Publication Date | 2018-02-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2399-6528 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 9 | Open Access | ||
| Notes | ; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 | Serial | 5022 | ||
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| Author | Klingstedt, M.; Sundberg, M.; Eriksson, L.; Haigh, S.; Kirkland, A.; Grüner, D.; de Backer, A.; Van Aert, S.; Tarasaki, O. | ||||
| Title | Exit wave reconstruction from focal series of HRTEM images, single crystal XRD and total energy studies on SbxWO3+y (x\sim0.11) | Type | A1 Journal article | ||
| Year | 2012 | Publication | Zeitschrift für Kristallographie | Abbreviated Journal | Z Krist-Cryst Mater |
| Volume | 227 | Issue | 6 | Pages | 341-349 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A new tungsten bronze in the SbWO system has been prepared in a solid state reaction from Sb2O3, WO3 and W metal powder. The average structure was determined by single crystal X-ray diffraction. SbxWO3+y (x ∼ 0.11) crystallizes in the orthorhombic space group Pm21n (no. 31), a = 27.8135(9) Å, b = 7.3659(2) Å and c = 3.8672(1) Å. The structure belongs to the (n)-ITB class of intergrowth tungsten bronzes. It contains slabs of hexagonal channels formed by six WO6 octahedra. These slabs are separated by three layers of WO6 octahedra that are arranged in a WO3-type fashion. The WO6 octahedra share all vertices to build up a three-dimensional framework. The hexagonal channels are filled with Sb atoms to ∼80% and additional O atoms. The atoms are shifted out of the center of the channels. Exit-wave reconstruction of focal series of high resolution-transmission-electron-microscope (HRTEM) images combined with statistical paramäeter estimation techniques allowed to study local ordering in the channels. Sb atoms in neighbouring channels tend to be displaced in the same direction, which is in agreement with total energy calculations on ordered structure models, but the ratio of the occupation of the two possible Sb sites varies from channel to channel. The structure of SbxWO3+y exhibits pronounced local modulations. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | München | Editor | ||
| Language | Wos | 000307314200003 | Publication Date | 2012-06-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2194-4946; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.179 | Times cited | 4 | Open Access | |
| Notes | Fwo; Esteem 026019 | Approved | Most recent IF: 3.179; 2012 IF: NA | ||
| Call Number | UA @ lucian @ c:irua:101218 | Serial | 1131 | ||
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| Author | Buh, J.; Kabanov, V.; Baranov, V.; Mrzel, A.; Kovic, A.; Mihailovic, D. | ||||
| Title | Control of switching between metastable superconducting states in delta-MoN nanowires | Type | A1 Journal article | ||
| Year | 2015 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 6 | Issue | 6 | Pages | 10250 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | The superconducting state in one-dimensional nanosystems is very delicate. While fluctuations of the phase of the superconducting wave function lead to the spontaneous decay of persistent supercurrents in thin superconducting wires and nanocircuits, discrete phase-slip fluctuations can also lead to more exotic phenomena, such as the appearance of metastable superconducting states in current-bearing wires. Here we show that switching between different metastable superconducting states in d-MoN nanowires can be very effectively manipulated by introducing small amplitude electrical noise. Furthermore, we show that deterministic switching between metastable superconducting states with different numbers of phase-slip centres can be achieved in both directions with small electrical current pulse perturbations of appropriate polarity. The observed current-controlled bi-stability is in remarkable agreement with theoretically predicted trajectories of the system switching between different limit cycle solutions of a model one-dimensional superconductor. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000367576600002 | Publication Date | 2015-12-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 8 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 12.124; 2015 IF: 11.470 | ||
| Call Number | UA @ lucian @ c:irua:131108 | Serial | 4156 | ||
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| Author | Zhou, Z.; Tan, Y.; Yang, Q.; Bera, A.; Xiong, Z.; Yagmurcukardes, M.; Kim, M.; Zou, Y.; Wang, G.; Mishchenko, A.; Timokhin, I.; Wang, C.; Wang, H.; Yang, C.; Lu, Y.; Boya, R.; Liao, H.; Haigh, S.; Liu, H.; Peeters, F.M.; Li, Y.; Geim, A.K.; Hu, S. | ||||
| Title | Gas permeation through graphdiyne-based nanoporous membranes | Type | A1 Journal article | ||
| Year | 2022 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 13 | Issue | 1 | Pages | 4031-4036 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Nanoporous membranes based on two dimensional materials are predicted to provide highly selective gas transport in combination with extreme permeance. Here we investigate membranes made from multilayer graphdiyne, a graphene-like crystal with a larger unit cell. Despite being nearly a hundred of nanometers thick, the membranes allow fast, Knudsen-type permeation of light gases such as helium and hydrogen whereas heavy noble gases like xenon exhibit strongly suppressed flows. Using isotope and cryogenic temperature measurements, the seemingly conflicting characteristics are explained by a high density of straight-through holes (direct porosity of similar to 0.1%), in which heavy atoms are adsorbed on the walls, partially blocking Knudsen flows. Our work offers important insights into intricate transport mechanisms playing a role at nanoscale. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000918423100001 | Publication Date | 2022-07-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 16.6 | Times cited | 21 | Open Access | OpenAccess |
| Notes | Approved | Most recent IF: 16.6 | |||
| Call Number | UA @ admin @ c:irua:194402 | Serial | 7308 | ||
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| Author | Van Tendeloo, G.; Hervieu, M.; Chaillout, C. | ||||
| Title | Defect structure of Hg-based ceramic superconductors (invited) | Type | P1 Proceeding | ||
| Year | 1994 | Publication | Sciences | Abbreviated Journal | |
| Volume | Issue | Pages | 949-952 | ||
| Keywords | P1 Proceeding; Electron microscopy for materials research (EMAT) | ||||
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| Publisher | Editions physique | Place of Publication | Les ulis | Editor | |
| Language | Wos | A1994BE09Y00462 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
2-86883-226-1 | ISBN | Additional Links | UA library record; WoS full record; | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ lucian @ c:irua:95940 | Serial | 621 | ||
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| Author | Frolov, A.S.; Sanchez-Barriga, J.; Callaert, C.; Hadermann, J.; Fedorov, A., V; Usachov, D.Y.; Chaika, A.N.; Walls, B.C.; Zhussupbekov, K.; Shvets, I., V.; Muntwiler, M.; Amati, M.; Gregoratti, L.; Varykhalov, A.Y.; Rader, O.; Yashina, L., V. | ||||
| Title | Atomic and electronic structure of a multidomain GeTe crystal | Type | A1 Journal article | ||
| Year | 2020 | Publication | Acs Nano | Abbreviated Journal | Acs Nano |
| Volume | 14 | Issue | 12 | Pages | 16576-16589 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Renewed interest in the ferroelectric semi-conductor germanium telluride was recently triggered by the direct observation of a giant Rashba effect and a 30-year-old dream about a functional spin field-effect transistor. In this respect, all-electrical control of the spin texture in this material in combination with ferroelectric properties at the nanoscale would create advanced functionalities in spintronics and data information processing. Here, we investigate the atomic and electronic properties of GeTe bulk single crystals and their (111) surfaces. We succeeded in growing crystals possessing solely inversion domains of similar to 10 nm thickness parallel to each other. Using HAADF-TEM we observe two types of domain boundaries, one of them being similar in structure to the van der Waals gap in layered materials. This structure is responsible for the formation of surface domains with preferential Te-termination (similar to 68%) as we determined using photoelectron diffraction and XPS. The lateral dimensions of the surface domains are in the range of similar to 10-100 nm, and both Ge- and Te-terminations reveal no reconstruction. Using spin-ARPES we establish an intrinsic quantitative relationship between the spin polarization of pure bulk states and the relative contribution of different terminations, a result that is consistent with a reversal of the spin texture of the bulk Rashba bands for opposite configurations of the ferroelectric polarization within individual nanodomains. Our findings are important for potential applications of ferroelectric Rashba semiconductors in nonvolatile spintronic devices with advanced memory and computing capabilities at the nanoscale. | ||||
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| Language | Wos | 000603308800022 | Publication Date | 2020-11-02 | |
| 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 | 17.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 17.1; 2020 IF: 13.942 | |||
| Call Number | UA @ admin @ c:irua:175027 | Serial | 6716 | ||
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| Author | Hu, S.; Gopinadhan, K.; Rakowski, A.; Neek-Amal, M.; Heine, T.; Grigorieva, I.V.; Haigh, S.J.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M. | ||||
| Title | Transport of hydrogen isotopes through interlayer spacing in van der Waals crystals | Type | A1 Journal article | ||
| Year | 2018 | Publication | Nature nanotechnology | Abbreviated Journal | Nat Nanotechnol |
| Volume | 13 | Issue | 6 | Pages | 468-+ |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Atoms start behaving as waves rather than classical particles if confined in spaces commensurate with their de Broglie wavelength. At room temperature this length is only about one angstrom even for the lightest atom, hydrogen. This restricts quantum-confinement phenomena for atomic species to the realm of very low temperatures(1-5). Here, we show that van der Waals gaps between atomic planes of layered crystals provide angstrom-size channels that make quantum confinement of protons apparent even at room temperature. Our transport measurements show that thermal protons experience a notably higher barrier than deuterons when entering van der Waals gaps in hexagonal boron nitride and molybdenum disulfide. This is attributed to the difference in the de Broglie wavelengths of the isotopes. Once inside the crystals, transport of both isotopes can be described by classical diffusion, albeit with unexpectedly fast rates comparable to that of protons in water. The demonstrated angstrom-size channels can be exploited for further studies of atomistic quantum confinement and, if the technology can be scaled up, for sieving hydrogen isotopes. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000434715700015 | Publication Date | 2018-04-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1748-3387; 1748-3395 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 38.986 | Times cited | 32 | Open Access | |
| Notes | ; The authors acknowledge support from the Lloyd's Register Foundation, EPSRC – EP/N010345/1, the European Research Council ARTIMATTER project – ERC-2012-ADG and from Graphene Flagship. M.L.-H. acknowledges a Leverhulme Early Career Fellowship. ; | Approved | Most recent IF: 38.986 | ||
| Call Number | UA @ lucian @ c:irua:152014UA @ admin @ c:irua:152014 | Serial | 5046 | ||
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| Author | Mogg, L.; Hao, G.-P.; Zhang, S.; Bacaksiz, C.; Zou, Y.; Haigh, S.J.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M. | ||||
| Title | Atomically thin micas as proton-conducting membranes | Type | A1 Journal article | ||
| Year | 2019 | Publication | Nature nanotechnology | Abbreviated Journal | Nat Nanotechnol |
| Volume | 14 | Issue | 10 | Pages | 962-+ |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Monolayers of graphene and hexagonal boron nitride (hBN) are highly permeable to thermal protons1,2. For thicker two-dimensional (2D) materials, proton conductivity diminishes exponentially, so that, for example, monolayer MoS2 that is just three atoms thick is completely impermeable to protons1. This seemed to suggest that only one-atom-thick crystals could be used as proton-conducting membranes. Here, we show that few-layer micas that are rather thick on the atomic scale become excellent proton conductors if native cations are ion-exchanged for protons. Their areal conductivity exceeds that of graphene and hBN by one to two orders of magnitude. Importantly, ion-exchanged 2D micas exhibit this high conductivity inside the infamous gap for proton-conducting materials3, which extends from ∼100 °C to 500 °C. Areal conductivity of proton-exchanged monolayer micas can reach above 100 S cm−2 at 500 °C, well above the current requirements for the industry roadmap4. We attribute the fast proton permeation to ~5-Å-wide tubular channels that perforate micas’ crystal structure, which, after ion exchange, contain only hydroxyl groups inside. Our work indicates that there could be other 2D crystals5 with similar nanometre-scale channels, which could help close the materials gap in proton-conducting applications. | ||||
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| Language | Wos | 000488977100016 | Publication Date | 2019-09-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1748-3387; 1748-3395 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 38.986 | Times cited | 44 | Open Access | |
| Notes | ; The work was supported by the Lloyd's Register Foundation, the Engineering and Physical Sciences Research Council (EPSRC)-EP/N010345/1, EP/M010619/1 and EP/ P009050/1, the European Research Council, the Graphene Flagship and the Royal Society. M.L.-H. acknowledges a Leverhulme Early Career Fellowship, G.-P.H. acknowledges a Marie Curie International Incoming Fellowship, and L.M. acknowledges the EPSRC NOWNano programme for funding. Y.Z. acknowledges the assistance of Eric Prestat in TEM specimen preparation. Computational resources were provided by the TUBITAK ULAKBIM High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; | Approved | Most recent IF: 38.986 | ||
| Call Number | UA @ admin @ c:irua:163589 | Serial | 5407 | ||
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| Author | Jin, B.; Liang, F.; Hu, Z.-Y.; Wei, P.; Liu, K.; Hu, X.; Van Tendeloo, G.; Lin, Z.; Li, H.; Zhou, X.; Xiong, Q.; Zhai, T. | ||||
| Title | Nonlayered CdSe flakes homojunctions | Type | A1 Journal article | ||
| Year | 2020 | Publication | Advanced Functional Materials | Abbreviated Journal | Adv Funct Mater |
| Volume | 30 | Issue | 30 | Pages | 1908902 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | 2D homojunctions have stimulated extensive attention because of their perfect thermal and lattice matches, as well as their tunable band structures in 2D morphology, which provide fascinating opportunities for novel electronics and optoelectronics. Recently, 2D nonlayered materials have attracted the attention of researchers owing to their superior functional applications and diverse portfolio of the 2D family. Therefore, 2D nonlayered homojunctions would open the door to a rich spectrum of exotic 2D materials. However, they are not investigated due to their extremely difficult synthesis methods. Herein, nonlayered CdSe flakes homojunctions are obtained via self-limited growth with InCl3 as a passivation agent. Interestingly, two pieces of vertical wurtzite-zinc blende (WZ-ZB) homojunctions epitaxially integrate into WZ/ZB lateral junctions. These homojunctions show a divergent second-harmonic generation intensity, strongly correlated to the multiple twinned ZB phase, as identified by aberration-corrected scanning transmission electron microscopy and theoretical calculations. Impressively, the photodetector based on this WZ/ZB CdSe homojunction shows excellent performances, integrating a high photoswitching ratio (3.4 x 10(5)) and photoresponsivity (3.7 x 10(3) A W-1), suggesting promising potential for applications in electronics and optoelectronics. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000508624800001 | Publication Date | 2020-01-23 | |
| 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 | 8 | Open Access | Not_Open_Access |
| Notes | ; This work was supported by the National Natural Science Foundation of China (Grant Nos. 21825103, 51727809, and 51802103), the Hubei Provincial Natural Science Foundation of China (2019CFA002), and the Fundamental Research Funds for the Central Universities (HUST: 2019kfyXMBZ018; WUT: 2019III012GX). Here the authors also thank the support from Analytical and Testing Center in HUST and the State Key Laboratory of Silicate Materials for Architectures in WUT. ; | Approved | Most recent IF: 19; 2020 IF: 12.124 | ||
| Call Number | UA @ admin @ c:irua:165654 | Serial | 6314 | ||
| Permanent link to this record | |||||
| Author | Jin, B.; Zuo, N.; Hu, Z.-Y.; Cui, W.; Wang, R.; Van Tendeloo, G.; Zhou, X.; Zhai, T. | ||||
| Title | Excellent excitonic photovoltaic effect in 2D CsPbBr₃/CdS heterostructures | Type | A1 Journal article | ||
| Year | 2020 | Publication | Advanced Functional Materials | Abbreviated Journal | Adv Funct Mater |
| Volume | Issue | Pages | 2006166-2006168 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | P-n photovoltaic junctions are essential building blocks for optoelectronic devices for energy conversion. However, this photovoltaic efficiency has almost reached its theoretical limit. Here, a brand-new excitonic photovoltaic effect in 2D CsPbBr3/CdS heterostructures is revealed. These heterostructures, synthesized by epitaxial growth, display a clean interface and a strong interlayer coupling. The excitonic photovoltaic effect is a function of both the built-in equilibrium electrical potential energy and the chemical potential energy, which is generated by the significant concentration gradient of electrons and holes at the heterojunction interface. Excitingly, this novel photovoltaic effect results in a large open-circuit voltage of 0.76 V and a high power conversion efficiency of 17.5%. In addition, high photodetection performance, including a high photoswitch ratio (I-light/I-dark) of 10(5)and a fast response rate of 23 mu s are obtained. These findings provide a new platform for photovoltaic applications. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000567829000001 | Publication Date | 2020-09-21 | |
| 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 | 1 | Open Access | Not_Open_Access |
| Notes | ; B.J., N.Z., and Z.Y.H. contributed equally to this work. This work was supported by the National Natural Science Foundation of China (Grant No. 21825103 and 51802103), the Hubei Provincial Natural Science Foundation of China (Grant No. 2019CFA002), and the Fundamental Research Funds for the Central University (Grant No. 2019kfyXMBZ018, WUT: 2019III012GX). Here the authors also thank the support from Analytical and Testing Center in HUST and the State Key Laboratory of Silicate Materials for Architectures in WUT. ; | Approved | Most recent IF: 19; 2020 IF: 12.124 | ||
| Call Number | UA @ admin @ c:irua:171970 | Serial | 6514 | ||
| Permanent link to this record | |||||
| Author | Koelman, P.; Heijkers, S.; Tadayon Mousavi, S.; Graef, W.; Mihailova, D.; Kozak, T.; Bogaerts, A.; van Dijk, J. | ||||
| Title | A Comprehensive Chemical Model for the Splitting of CO2in Non-Equilibrium Plasmas: A Comprehensive Chemical Model for CO2Splitting | Type | A1 Journal article | ||
| Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
| Volume | 14 | Issue | 14 | Pages | 1600155 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | An extensive CO2 plasmamodel is presented that is relevant for the production of ‘‘solar fuels.’’ It is based on reaction rate coefficients fromrigorously reviewed literature, and is augmented with reactionrate coefficients that are obtained fromscaling laws.The input data set,which is suitable for usage with the plasma simulation software Plasimo (https://plasimo.phys.tue.nl/), is available via the Plasimo and publisher’s websites.1 The correctness of this model implementation has been established by independent ZDPlasKin implementation (http://www.zdplaskin. laplace.univ-tlse.fr/), to verify that the results agree. Results of these ‘‘global models’’ are presented for a DBD plasma reactor. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000403074000009 | Publication Date | 2016-10-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.846 | Times cited | 21 | Open Access | Not_Open_Access |
| Notes | Dutch Technology Foundation STW; Ministerie van Economische Zaken; Hercules Foundation; Acknowledgements: This research is supported by the Dutch Technology Foundation STW, which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) program PSI-Physical Chemistry of Plasma- Surface Interactions by the Belgian Federal Office for Science Policy (BELSPO). Part of the calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 2.846 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:142643 | Serial | 4565 | ||
| Permanent link to this record | |||||
| Author | Georgieva, V.; Berthelot, A.; Silva, T.; Kolev, S.; Graef, W.; Britun, N.; Chen, G.; van der Mullen, J.; Godfroid, T.; Mihailova, D.; van Dijk, J.; Snyders, R.; Bogaerts, A.; Delplancke-Ogletree, M.-P. | ||||
| Title | Understanding Microwave Surface-Wave Sustained Plasmas at Intermediate Pressure by 2D Modeling and Experiments: Understanding Microwave Surface-Wave Sustained Plasmas … | Type | A1 Journal article | ||
| Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
| Volume | 14 | Issue | 14 | Pages | 1600185 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | An Ar plasma sustained by a surfaguide wave launcher is investigated at intermediate pressure (200–2667 Pa). Two 2D self-consistent models (quasi-neutral and plasma bulk-sheath) are developed and benchmarked. The complete set of electromagnetic and fluid equations and the boundary conditions are presented. The transformation of fluid equations from a local reference frame, that is, moving with plasma or when the gas flow is zero, to a laboratory reference frame, that is, accounting for the gas flow, is discussed. The pressure range is extended down to 80 Pa by experimental measurements. The electron temperature decreases with pressure. The electron density depends linearly on power, and changes its behavior with pressure depending on the product of pressure and radial plasma size. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000403074000012 | Publication Date | 2016-11-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.846 | Times cited | 8 | Open Access | Not_Open_Access |
| Notes | Federaal Wetenschapsbeleid; European Marie Curie RAPID project; European Union's Seventh Framework Programme, 606889 ; | Approved | Most recent IF: 2.846 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:142807 | Serial | 4568 | ||
| Permanent link to this record | |||||
| Author | Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T. | ||||
| Title | Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning | Type | A1 Journal article | ||
| Year | 2024 | Publication | Plasma processes and polymers | Abbreviated Journal | |
| Volume | Issue | Pages | 1-26 | ||
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001202061200001 | Publication Date | 2024-04-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1612-8850 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.5 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 3.5; 2024 IF: 2.846 | |||
| Call Number | UA @ admin @ c:irua:205512 | Serial | 9181 | ||
| Permanent link to this record | |||||
| Author | Castelano, L.K.; Hai, G.-Q.; Partoens, B.; Peeters, F.M. | ||||
| Title | Ground state configurations of vertically coupled quantum rings | Type | A1 Journal article | ||
| Year | 2007 | Publication | Physica status solidi: C: conferences and critical reviews | Abbreviated Journal | |
| Volume | 4 | Issue | 2 | Pages | 560-562 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000245877200097 | Publication Date | 2007-02-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1610-1634;1610-1642; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 1 | Open Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:69665 | Serial | 1386 | ||
| Permanent link to this record | |||||
| Author | Su, Y.; Prestat, E.; Hu, C.; Puthiyapura, V.K.; Neek-Amal, M.; Xiao, H.; Huang, K.; Kravets, V.G.; Haigh, S.J.; Hardacre, C.; Peeters, F.M.; Nair, R.R. | ||||
| Title | Self-limiting growth of two-dimensional palladium between graphene oxide layers | Type | A1 Journal article | ||
| Year | 2019 | Publication | Nano letters | Abbreviated Journal | Nano Lett |
| Volume | 19 | Issue | 7 | Pages | 4678-4683 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | The ability of different materials to display self-limiting growth has recently attracted an enormous amount of attention because of the importance of nanoscale materials in applications for catalysis, energy conversion, (opto)-electronics, and so forth. Here, we show that the electrochemical deposition of palladium (Pd) between graphene oxide (GO) sheets result in the self-limiting growth of 5-nm-thick Pd nanosheets. The self-limiting growth is found to be a consequence of the strong interaction of Pd with the confining GO sheets, which results in the bulk growth of Pd being energetically unfavorable for larger thicknesses. Furthermore, we have successfully carried out liquid exfoliation of the resulting Pd-GO laminates to isolate Pd nanosheets and have demonstrated their high efficiency in continuous flow catalysis and electrocatalysis. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000475533900060 | Publication Date | 2019-06-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.712 | Times cited | 17 | Open Access | |
| Notes | ; This work was supported by the Royal Society, Engineering and Physical Sciences Research Council, U.K. (EP/S019367/1, EP/P025021/1, EP/K016946/1, and EP/ P009050/1), Graphene Flagship, and European Research Council (contract 679689 and EvoluTEM). We thank Dr. Sheng Zheng and Dr. K. S. Vasu at the University of Manchester for assisting us with sample preparation and characterization. The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. V.K.P. and C.H. are grateful for the resources and support provided via membership in the UK Catalysis Hub Consortium and funding by EPSRC (Portfolio grants EP/K014706/2, EP/K014668/1, EP/K014854/1, EP/K014714/1, and EP/I019693/1). F.M.P. and M.N.-A. acknowledge the support from the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 12.712 | ||
| Call Number | UA @ admin @ c:irua:161245 | Serial | 5426 | ||
| Permanent link to this record | |||||
| Author | Sreepal, V.; Yagmurcukardes, M.; Vasu, K.S.; Kelly, D.J.; Taylor, S.F.R.; Kravets, V.G.; Kudrynskyi, Z.; Kovalyuk, Z.D.; Patane, A.; Grigorenko, A.N.; Haigh, S.J.; Hardacre, C.; Eaves, L.; Sahin, H.; Geim, A.K.; Peeters, F.M.; Nair, R.R. | ||||
| Title | Two-dimensional covalent crystals by chemical conversion of thin van der Waals materials | Type | A1 Journal article | ||
| Year | 2019 | Publication | Nano letters | Abbreviated Journal | Nano Lett |
| Volume | 19 | Issue | 9 | Pages | 6475-6481 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Most of the studied two-dimensional (2D) materials have been obtained by exfoliation of van der Waals crystals. Recently, there has been growing interest in fabricating synthetic 2D crystals which have no layered bulk analogues. These efforts have been focused mainly on the surface growth of molecules in high vacuum. Here, we report an approach to making 2D crystals of covalent solids by chemical conversion of van der Waals layers. As an example, we used 2D indium selenide (InSe) obtained by exfoliation and converted it by direct fluorination into indium fluoride (InF3), which has a nonlayered, rhombohedral structure and therefore cannot possibly be obtained by exfoliation. The conversion of InSe into InF3 is found to be feasible for thicknesses down to three layers of InSe, and the obtained stable InF3 layers are doped with selenium. We study this new 2D material by optical, electron transport, and Raman measurements and show that it is a semiconductor with a direct bandgap of 2.2 eV, exhibiting high optical transparency across the visible and infrared spectral ranges. We also demonstrate the scalability of our approach by chemical conversion of large-area, thin InSe laminates obtained by liquid exfoliation, into InF3 films. The concept of chemical conversion of cleavable thin van der Waals crystals into covalently bonded noncleavable ones opens exciting prospects for synthesizing a wide variety of novel atomically thin covalent crystals. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000486361900083 | Publication Date | 2019-08-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.712 | Times cited | 32 | Open Access | |
| Notes | ; This work was supported by the Royal Society, the European Research Council (contract 679689 and EvoluTEM 715502), and Engineering and Physical Sciences Research Council, U.K. (EP/N013670/1), The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. M.Y. acknowledges the Flemish Science Foundation (FWO-Vl) for a postdoctoral fellowship. S.J.H. and D.J.K. acknowledge support from EPSRC (EP/P009050/1) and the NowNANO CDT. ; | Approved | Most recent IF: 12.712 | ||
| Call Number | UA @ admin @ c:irua:162818 | Serial | 5431 | ||
| Permanent link to this record | |||||
| Author | Bekaert, J.; Khestanova, E.; Hopkinson, D.G.; Birkbeck, J.; Clark, N.; Zhu, M.; Bandurin, D.A.; Gorbachev, R.; Fairclough, S.; Zou, Y.; Hamer, M.; Terry, D.J.; Peters, J.J.P.; Sanchez, A.M.; Partoens, B.; Haigh, S.J.; Milošević, M.V.; Grigorieva, I., V | ||||
| Title | Enhanced superconductivity in few-layer TaS₂ due to healing by oxygenation | Type | A1 Journal article | ||
| Year | 2020 | Publication | Nano Letters | Abbreviated Journal | Nano Lett |
| Volume | 20 | Issue | 5 | Pages | 3808-3818 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | When approaching the atomically thin limit, defects and disorder play an increasingly important role in the properties of two-dimensional (2D) materials. While defects are generally thought to negatively affect superconductivity in 2D materials, here we demonstrate the contrary in the case of oxygenation of ultrathin tantalum disulfide (TaS2). Our first-principles calculations show that incorporation of oxygen into the TaS2 crystal lattice is energetically favorable and effectively heals sulfur vacancies typically present in these crystals, thus restoring the electronic band structure and the carrier density to the intrinsic characteristics of TaS2. Strikingly, this leads to a strong enhancement of the electron-phonon coupling, by up to 80% in the highly oxygenated limit. Using transport measurements on fresh and aged (oxygenated) few-layer TaS2, we found a marked increase of the superconducting critical temperature (T-c) upon aging, in agreement with our theory, while concurrent electron microscopy and electron-energy loss spectroscopy confirmed the presence of sulfur vacancies in freshly prepared TaS2 and incorporation of oxygen into the crystal lattice with time. Our work thus reveals the mechanism by which certain atomic-scale defects can be beneficial to superconductivity and opens a new route to engineer T-c in ultrathin materials. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000535255300114 | Publication Date | 2020-04-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.8 | Times cited | 16 | Open Access | |
| Notes | ; This work was supported by Research Foundation-Flanders (FWO). J.Be. acknowledges support of a postdoctoral fellowship of the FWO. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. S.J.H., D.H., and S.F. would like to thank the Engineering and Physical Sciences Research Council (EPSRC) U.K (grants EP/R031711/1, EP/P009050/1 and the Graphene NOWNANO CDT) and the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement ERC-2016-STG-EvoluTEM-715502, the Hetero2D Synergy grant and EC-FET Graphene Flagship) for funding. We thank Diamond Light Source for access and support in use of the electron Physical Science Imaging Centre (Instrument E02 and proposal numbers EM19315 and MG21597) that contributed to the results presented here. ; | Approved | Most recent IF: 10.8; 2020 IF: 12.712 | ||
| Call Number | UA @ admin @ c:irua:170264 | Serial | 6507 | ||
| Permanent link to this record | |||||
| Author | Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.; | ||||
| Title | Oxygen-driven competition between low-dimensional structures of Sr3CoMO6 and Sr3CoMO7-\delta with M = Ru,Ir | Type | A1 Journal article | ||
| Year | 2014 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
| Volume | 43 | Issue | 37 | Pages | 13883-13891 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We have realized a reversible structure transformation of one-dimensional 1D K4CdCl6-type Sr3CoMO6 with the Co2+/M4+ cation ordering into the two-dimensional 2D double layered Ruddlesden-Popper structure Sr3CoMO7-delta with a random distribution of Co and M (with M = Ru, Ir) upon increasing the partial oxygen pressure. The combined soft and hard X-ray absorption spectroscopy studies show that under transformation, Co and M cations were oxidized to Co3+ and M5+. During oxidation, high-spin Co2+ in Sr3CoMO6 first transforms into high-spin Co3+ in oxygen-deficient Sr3CoMO7-delta, and then further transforms into low-spin Co3+ in fully oxidized Sr3CoMO7 upon further increasing the partial pressure of oxygen. The 1D Sr3CoMO6 compound is magnetically ordered at low temperatures with the magnetic moments lying along the c-axis. Their alignment is parallel for Sr3CoRuO6 and antiparallel for Sr3CoIrO6. The 2D compounds reveal a spin-glass-like behavior related to the random distribution of magnetic cations in the structure. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000342074100009 | Publication Date | 2014-07-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1477-9226;1477-9234; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.029 | Times cited | 7 | Open Access | |
| Notes | Approved | Most recent IF: 4.029; 2014 IF: 4.197 | |||
| Call Number | UA @ lucian @ c:irua:119960 | Serial | 2545 | ||
| Permanent link to this record | |||||
| Author | Paria Sena, R.; Babaryk, A.A.; Khainakov, S.; Garcia-Granda, S.; Slobodyanik, N.S.; Van Tendeloo, G.; Abakumov, A.M.; Hadermann, J. | ||||
| Title | A pseudo-tetragonal tungsten bronze superstructure: a combined solution of the crystal structure of K6.4(Nb,Ta)36.3O94 with advanced transmission electron microscopy and neutron diffraction | Type | A1 Journal article | ||
| Year | 2016 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | Dalton T |
| Volume | 45 | Issue | 45 | Pages | 973-979 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The crystal structure of the K6.4Nb28.2Ta8.1O94 pseudo-tetragonal tungsten bronze-type oxide was determined using a combination of X-ray powder diffraction, neutron diffraction and transmission electron microscopy techniques, including electron diffraction, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), annular bright field STEM (ABF-STEM) and energy-dispersive X-ray compositional mapping (STEM-EDX). The compound crystallizes in the space group Pbam with unit cell parameters a = 37.468(9) A, b = 12.493(3) A, c = 3.95333(15) A. The structure consists of corner sharing (Nb,Ta)O6 octahedra forming trigonal, tetragonal and pentagonal tunnels. All tetragonal tunnels are occupied by K(+) ions, while 1/3 of the pentagonal tunnels are preferentially occupied by Nb(5+)/Ta(5+) and 2/3 are occupied by K(+) in a regular pattern. A fractional substitution of K(+) in the pentagonal tunnels by Nb(5+)/Ta(5+) is suggested by the analysis of the HAADF-STEM images. In contrast to similar structures, such as K2Nb8O21, also parts of the trigonal tunnels are fractionally occupied by K(+) cations. | ||||
| Address | Electron Microscopy for Materials Research (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020, Antwerp, Belgium. joke.hadermann@uantwerpen.be babaryk@univ.kiev.ua | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000367614700018 | Publication Date | 2015-11-23 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1477-9226 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.029 | Times cited | 6 | Open Access | |
| Notes | We thank Dr E. Suard and Dr O. Fabello for assistance in collecting the neutron diffraction data. R.P.S. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS. The titan microscope was partly funded by the Hercules fund from the Flemish Government. The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483-ESTEEM2. AAB acknowledges the JSPDS ICDD Grant-in-Aid program (12-02).; esteem2jra1; esteem2jra2 | Approved | Most recent IF: 4.029 | ||
| Call Number | c:irua:130408 c:irua:130408 | Serial | 3998 | ||
| Permanent link to this record | |||||
| Author | Zou, Y.-C.; Mogg, L.; Clark, N.; Bacaksiz, C.; Milanovic, S.; Sreepal, V.; Hao, G.-P.; Wang, Y.-C.; Hopkinson, D.G.; Gorbachev, R.; Shaw, S.; Novoselov, K.S.; Raveendran-Nair, R.; Peeters, F.M.; Lozada-Hidalgo, M.; Haigh, S.J. | ||||
| Title | Ion exchange in atomically thin clays and micas | Type | A1 Journal article | ||
| Year | 2021 | Publication | Nature Materials | Abbreviated Journal | Nat Mater |
| Volume | 20 | Issue | 12 | Pages | 1677-1682 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The physical properties of clays and micas can be controlled by exchanging ions in the crystal lattice. Atomically thin materials can have superior properties in a range of membrane applications, yet the ion-exchange process itself remains largely unexplored in few-layer crystals. Here we use atomic-resolution scanning transmission electron microscopy to study the dynamics of ion exchange and reveal individual ion binding sites in atomically thin and artificially restacked clays and micas. We find that the ion diffusion coefficient for the interlayer space of atomically thin samples is up to 10(4) times larger than in bulk crystals and approaches its value in free water. Samples where no bulk exchange is expected display fast exchange at restacked interfaces, where the exchanged ions arrange in islands with dimensions controlled by the moire superlattice dimensions. We attribute the fast ion diffusion to enhanced interlayer expandability resulting from weaker interlayer binding forces in both atomically thin and restacked materials. This work provides atomic scale insights into ion diffusion in highly confined spaces and suggests strategies to design exfoliated clay membranes with enhanced performance. Layered clays are of interest for membranes and many other applications but their ion-exchange dynamics remain unexplored in atomically thin materials. Here, using electron microscopy, it is found that the ion diffusion for few-layer two-dimensional clays approaches that of free water and that superlattice cation islands can form in twisted and restacked materials. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000689664000001 | Publication Date | 2021-09-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1476-1122; 1476-4660 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 39.737 | Times cited | 2 | Open Access | OpenAccess |
| Notes | Approved | Most recent IF: 39.737 | |||
| Call Number | UA @ admin @ c:irua:181691 | Serial | 6999 | ||
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| Author | Brito, B.G.A.; Hai, G.-Q.; Teixeira Rabelo, J.N.; Cândido, L. | ||||
| Title | A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 – (M = Li, Na, K, Rb, Cu, Ag and Au) | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 16 | Issue | 18 | Pages | 8639-8645 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using fixed-node diffusion quantum Monte Carlo (FN-DMC) simulation we investigate the electron correlation in all-metal aromatic clusters MAl4- (with M = Li, Na, K, Rb, Cu, Ag and Au). The electron detachment energies and electron affinities of the clusters are obtained. The vertical electron detachment energies obtained from the FN-DMC calculations are in very good agreement with the available experimental results. Calculations are also performed within the Hartree-Fock approximation, density-functional theory (DFT), and the couple-cluster (CCSD(T)) method. From the obtained results, we analyse the impact of the electron correlation effects in these bimetallic clusters and find that the correlation of the valence electrons contributes significantly to the detachment energies and electron affinities, varying between 20% and 50% of their total values. Furthermore, we discuss the electron correlation effects on the stability of the clusters as well as the accuracy of the DFT and CCSD(T) calculations in the present systems. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000334602900052 | Publication Date | 2014-03-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 10 | Open Access | |
| Notes | ; This research was supported by CNPq, FAPESP and FAPEG (Brazil). ; | Approved | Most recent IF: 4.123; 2014 IF: 4.493 | ||
| Call Number | UA @ lucian @ c:irua:117247 | Serial | 2781 | ||
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| Author | Drukarev, E.; Mikhailov, A.; Rakhimov, K.Y.; Yusupov, H. | ||||
| Title | Relativistic photoeffect for s states in a central field | Type | A1 Journal article | ||
| Year | 2020 | Publication | European Physical Journal D | Abbreviated Journal | Eur Phys J D |
| Volume | 74 | Issue | 8 | Pages | 166-169 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We study the photoionization of the s states in the systems bound by sufficiently weak central fields V(r) for the large photon energies corresponding to the relativistic photoelectrons. We demonstrate that the energy dependence of the photoionization cross section can be obtained without solving the wave equation. We show that the shape of the energy dependence of the cross section is determined by analytical properties of the binding potential V(r). We find the cross sections for the potentials V(r) which have singularities in the origin, on the real axis and in the complex plane. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000560347800005 | Publication Date | 2020-08-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6060; 1434-6079 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.8 | Times cited | Open Access | ||
| Notes | ; ; | Approved | Most recent IF: 1.8; 2020 IF: 1.288 | ||
| Call Number | UA @ admin @ c:irua:171172 | Serial | 6593 | ||
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| Author | Hai, G.-Q.; Peeters, F.M. | ||||
| Title | Hamiltonian of a many-electron system with single-electron and electron-pair states in a two-dimensional periodic potential | Type | A1 Journal article | ||
| Year | 2015 | Publication | European physical journal : B : condensed matter and complex systems | Abbreviated Journal | Eur Phys J B |
| Volume | 88 | Issue | 88 | Pages | 20 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Based on the metastable electron-pair energy band in a two-dimensional (2D) periodic potential obtained previously by Hai and Castelano [J. Phys.: Condens. Matter 26, 115502 (2014)], we present in this work a Hamiltonian of many electrons consisting of single electrons and electron pairs in the 2D system. The electron-pair states are metastable of energies higher than those of the single-electron states at low electron density. We assume two different scenarios for the single-electron band. When it is considered as the lowest conduction band of a crystal, we compare the obtained Hamiltonian with the phenomenological model Hamiltonian of a boson-fermion mixture proposed by Friedberg and Lee [Phys. Rev. B 40, 6745 (1989)]. Single-electron-electron-pair and electron-pair-electron-pair interaction terms appear in our Hamiltonian and the interaction potentials can be determined from the electron-electron Coulomb interactions. When we consider the single-electron band as the highest valence band of a crystal, we show that holes in this valence band are important for stabilization of the electron-pair states in the system. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Berlin | Editor | ||
| Language | Wos | 000347776800005 | Publication Date | 2015-01-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1434-6028;1434-6036; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.461 | Times cited | 2 | Open Access | |
| Notes | ; This work was supported by FAPESP and CNPq (Brazil). ; | Approved | Most recent IF: 1.461; 2015 IF: 1.345 | ||
| Call Number | c:irua:125317 | Serial | 1406 | ||
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| Author | Lueangchaichaweng, W.; Brooks, N.R.; Fiorilli, S.; Gobechiya, E.; Lin, K.; Li, L.; Parres-Esclapez, S.; Javon, E.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Kirschhock, C.E.A.; Jacobs, P.A.; Pescarmona, P.P.; | ||||
| Title | Gallium oxide nanorods : novel, template-free synthesis and high catalytic activity in epoxidation reactions | Type | A1 Journal article | ||
| Year | 2014 | Publication | Angewandte Chemie: international edition in English | Abbreviated Journal | Angew Chem Int Edit |
| Volume | 53 | Issue | 6 | Pages | 1585-1589 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Gallium oxide nanorods with unprecedented small dimensions (20-80nm length and 3-5nm width) were prepared using a novel, template-free synthesis method. This nanomaterial is an excellent heterogeneous catalyst for the sustainable epoxidation of alkenes with H2O2, rivaling the industrial benchmark microporous titanosilicate TS-1 with linear alkenes and being much superior with bulkier substrates. A thorough characterization study elucidated the correlation between the physicochemical properties of the gallium oxide nanorods and their catalytic performance, and underlined the importance of the nanorod morphology for generating a material with high specific surface area and a high number of accessible acid sites. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000330558400021 | Publication Date | 2014-01-22 | |
| 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 | 61 | Open Access | OpenAccess |
| Notes | START 1; Methusalem; Prodex; IAP-PAI; and the ERC (grant number 24691-COUNTATOMS and grant number 335078-COLOURATOM) projects; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 11.994; 2014 IF: 11.261 | ||
| Call Number | UA @ lucian @ c:irua:115726 | Serial | 1314 | ||
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| Author | Verbeeck, J.; Van Aert, S.; Zhang, L.; Haiyan, T.; Schattschneider, P.; Rosenauer, A. | ||||
| Title | Computational aspects in quantitative EELS | Type | A1 Journal article | ||
| Year | 2010 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
| Volume | 16 | Issue | S:2 | Pages | 240-241 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge, Mass. | Editor | ||
| Language | Wos | Publication Date | 2010-08-26 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1431-9276;1435-8115; | ISBN | Additional Links | UA library record | |
| Impact Factor | 1.891 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 1.891; 2010 IF: 3.259 | |||
| Call Number | UA @ lucian @ c:irua:96556UA @ admin @ c:irua:96556 | Serial | 454 | ||
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| Author | Hai, G.Q.; Studart, N.; Marques, G.E.; Peeters, F.M.; Koenraad, P.M. | ||||
| Title | Effects of intersubband interaction on multisubband electron transport in single and double quantum wells | Type | A1 Journal article | ||
| Year | 1998 | Publication | Physica. E: Low-dimensional systems and nanostructures | Abbreviated Journal | Physica E |
| Volume | 2 | Issue | Pages | 222-227 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
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| Corporate Author | Thesis | ||||
| Publisher | North-Holland | Place of Publication | Amsterdam | Editor | |
| Language | Wos | 000075383500047 | Publication Date | 2002-07-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN |
1386-9477; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.221 | Times cited | 3 | Open Access | |
| Notes | Approved | Most recent IF: 2.221; 1998 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:24184 | Serial | 864 | ||
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