| |
Records |
Links |
|
Author |
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
|
| |
Title |
Two-dimensional hexagonal tin : ab initio geometry, stability, electronic structure and functionalization |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
|
| |
Volume |
1 |
Issue |
|
Pages |
021004 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We study the structural, mechanical and electronic properties of the two-dimensional (2D) allotrope of tin: tinene/stanene using first-principles calculation within density functional theory, implemented in a set of computer codes. Continuing the trend of the group-IV 2D materials graphene, silicene and germanene; tinene is predicted to have a honeycomb lattice with lattice parameter of a(0) = 4.62 angstrom and a buckling of d(0) = 0.92 angstrom. The electronic dispersion shows a Dirac cone with zero gap at the Fermi energy and a Fermi velocity of v(F) = 0.97 x 10(6) m s(-1); including spin-orbit coupling yields a bandgap of 0.10 eV. The monolayer is thermally stable up to 700 K, as indicated by first-principles molecular dynamics, and has a phonon dispersion without imaginary frequencies. We explore applied electric field and applied strain as functionalization mechanisms. Combining these two mechanisms allows for an induced bandgap up to 0.21 eV, whilst retaining the linear dispersion, albeit with degraded electronic transport parameters. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
|
|
| |
Language |
|
Wos |
000353650400004 |
Publication Date |
2014-08-27 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.937 |
Times cited |
58 |
Open Access  |
|
|
| |
Notes |
|
Approved |
Most recent IF: 6.937; 2014 IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:134432 |
Serial |
4530 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V. |
|
| |
Title |
Effects of spatially engineered Dzyaloshinskii-Moriya interaction in ferromagnetic films |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
95 |
Issue |
95 |
Pages |
144401 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The Dzyaloshinskii-Moriya interaction (DMI) is a chiral interaction that favors formation of domain walls. Recent experiments and ab initio calculations show that there are multiple ways to modify the strength of the interfacially induced DMI in thin ferromagnetic films with perpendicular magnetic anisotropy. In this paper we reveal theoretically the effects of spatially varied DMI on the magnetic state in thin films. In such heterochiral 2D structures we report several emergent phenomena, ranging from the equilibrium spin canting at the interface between regions with different DMI, over particularly strong confinement of domain walls and skyrmions within high-DMI tracks, to advanced applications such as domain tailoring nearly at will, design of magnonic waveguides, and much improved skyrmion racetrack memory. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000399382100003 |
Publication Date |
2017-04-03 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
60 |
Open Access |
|
|
| |
Notes |
Fonds Wetenschappelijk Onderzoek, G098917N ; |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
CMT @ cmt @ c:irua:141917 |
Serial |
4534 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Macke, S.; Radi, A.; Hamann-Borrero, J.E.; Verna, A.; Bluschke, M.; Brück, S.; Goering, E.; Sutarto, R.; He, F.; Cristiani, G.; Wu, M.; Benckiser, E.; Habermeier, H.-U.; Logvenov, G.; Gauquelin, N.; Botton, G.A; Kajdos, A.P.; Stemmer, S.; Sawatzky,G.A.; Haverkort, M.W.; Keimer, B.; Hinkov, V. |
|
| |
Title |
Element Specific Monolayer Depth Profiling |
Type |
A1 Journal Article |
| |
Year |
2014 |
Publication |
Advanced Materials |
Abbreviated Journal |
Adv Mater |
|
| |
Volume |
26 |
Issue |
38 |
Pages |
6554-6559 |
|
| |
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) |
|
| |
Abstract |
The electronic phase behavior and functionality of interfaces and surfaces in complex materials are strongly correlated to chemical composition profiles, stoichiometry and intermixing. Here a novel analysis scheme for resonant X-ray reflectivity maps is introduced to determine such profiles, which is element specific and non-destructive, and which exhibits atomic-layer resolution and a probing depth of hundreds of nanometers. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000343763200004 |
Publication Date |
2014-08-08 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1521-4095 |
ISBN |
|
Additional Links |
|
|
| |
Impact Factor |
19.791 |
Times cited |
34 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 19.791; 2014 IF: NA |
|
| |
Call Number |
EMAT @ emat @ |
Serial |
4541 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
N. Gauquelin, E. Benckiser, M. K. Kinyanjui, M. Wu, Y. Lu, G. Christiani, G. Logvenov, H.-U. Habermeier, U. Kaiser, B. Keimer, and G. A. Botton |
|
| |
Title |
Atomically resolved EELS mapping of the interfacial structure of epitaxially strained LaNiO3/LaAlO3 superlattices |
Type |
A1 Journal Article |
| |
Year |
2014 |
Publication |
Physical Review B |
Abbreviated Journal |
|
|
| |
Volume |
90 |
Issue |
|
Pages |
195140 |
|
| |
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
| |
Abstract |
The interfacial atomic structure of a metallic LaNiO3/LaAlO3 superlattice grown on a LaSrAlO4 substrate was
investigated using a combination of atomically resolved electron energy loss spectroscopy (EELS) at the Al K,
Al L2,3, Sr L2,3, Ni L2,3, La M4,5, and O K edges as well as hybridization mapping of selected features of the O
K-edge fine structure.We observe an additional La1−xSrxAl1−yNiyO3 layer at the substrate-superlattice interface,
possibly linked to diffusion of Al and Sr into the growing film or a surface reconstruction due to Sr segregation.
The roughness of the LaNiO3/LaAlO3 interfaces is found to be on average around one pseudocubic unit cell. The
O K-edge EELS spectra revealed reduced spectral weight of the prepeak derived from Ni-O hybridized states in
the LaNiO3 layers. We rule out oxygen nonstoichiometry of the LaNiO3 layers and discuss changes in the Ni-O
hybridization due to heterostructuring as possible origin. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000345467000003 |
Publication Date |
2014-11-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
|
|
| |
Impact Factor |
|
Times cited |
17 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
EMAT @ emat @ |
Serial |
4544 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
M. K. Kinyanjui, N. Gauquelin, E. Benckiser, H. –U. Habermeier, B. Keimer, U. Kaiser and G.A. Botton |
|
| |
Title |
Local lattice distortion and anisotropic modulation in Epitaxially Strained LaNiO3/LaAlO3 hetero-structures |
Type |
A1 Journal Article |
| |
Year |
2014 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
|
|
| |
Volume |
104 |
Issue |
|
Pages |
221909 |
|
| |
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
| |
Abstract |
Using a complementary combination of x-ray diffraction and atomically resolved imaging we investigated the lattice structure of epitaxial LaNiO3/LaAlO3 superlattices grown on a compressive-strain inducing LaSrAlO4 (001) substrate. A refinement of the structure obtained from the x-ray data revealed the monoclinic I 2/c 1 1 space group. The (Ni/Al)O6 octahedral rotation angle perpendicular to the superlattice plane is enhanced, and the one parallel to the plane is reduced with respect to the corresponding bulk values. High-angle annular dark field imaging was used to determine the lattice parameters within the superlattice unit cell. High-resolution electron microscopy images of the oxygen atoms are consistent with the x-ray results. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000337161700029 |
Publication Date |
2014-06-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
|
|
| |
Impact Factor |
|
Times cited |
22 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
EMAT @ emat @ |
Serial |
4545 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Han, F.W.; Xu, W.; Li, L.L.; Zhang, C.; Dong, H.M.; Peeters, F.M. |
|
| |
Title |
Electronic and transport properties of n-type monolayer black phosphorus at low temperatures |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
95 |
Issue |
95 |
Pages |
115436 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present a detailed theoretical study of the electronic and transport properties of monolayer black phosphorus (BP). This study is motivated by recent experimental activities in investigating n-type few-layer BP systems. The electron density of states, the screening length, and the low-temperature electron mobility are calculated for monolayer BP (MLBP). In particular, the electron transport mobilities along the armchair and zigzag directions are examined on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation. The anisotropic electron mobilities in MLBP along different directions are demonstrated where the electron-impurity scattering is considered. Furthermore, we compare the results obtained from two electronic band structures of MLBP and find that the simplified model can describe quite rightly the electronic and transport properties of MLBP. This study is relevant to the application of few-layer BP based electronic systems as advanced electronic devices. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000399140700012 |
Publication Date |
2017-03-27 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
|
|
| |
Notes |
National Natural Science Foundation of China, 11574319 11304316 11304317 11604380 ; Ministry of Science and Technology of the People's Republic of China, 2011YQ130018 ; Chinese Academy of Sciences; |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
CMT @ cmt @ c:irua:142431 |
Serial |
4564 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Ghorbanfekr-Kalashami, H.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M. |
|
| |
Title |
Dependence of the shape of graphene nanobubbles on trapped substance |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
|
| |
Volume |
8 |
Issue |
8 |
Pages |
15844 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Van der Waals (vdW) interaction between two-dimensional crystals (2D) can trap substances in high pressurized (of order 1 GPa) on nanobubbles. Increasing the adhesion between the 2D crystals further enhances the pressure and can lead to a phase transition of the trapped material. We found that the shape of the nanobubble can depend critically on the properties of the trapped substance. In the absence of any residual strain in the top 2D crystal, flat nanobubbles can be formed by trapped long hydrocarbons (that is, hexadecane). For large nanobubbles with radius 130 nm, our atomic force microscopy measurements show nanobubbles filled with hydrocarbons (water) have a cylindrical symmetry (asymmetric) shape which is in good agreement with our molecular dynamics simulations. This study provides insights into the effects of the specific material and the vdW pressure on the microscopic details of graphene bubbles. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000403417500001 |
Publication Date |
2017-06-16 |
|
| |
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 |
44 |
Open Access |
|
|
| |
Notes |
We acknowledge fruitful discussion with Irina Grigorieva and Andre K. Geim. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program, the Royal Society and the Engineering and Physical Sciences Research Council, UK (EP/K016946/1). M.N.-A. was supported by Iran National Science Foundation (INSF). |
Approved |
Most recent IF: 12.124 |
|
| |
Call Number |
CMT @ cmt @ c:irua:144189 |
Serial |
4580 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Chirayath, V.A.; Callewaert, V.; Fairchild, A.J.; Chrysler, M.D.; Gladen, R.W.; Mcdonald, A.D.; Imam, S.K.; Shastry, K.; Koymen, A.R.; Saniz, R.; Barbiellini, B.; Rajeshwar, K.; Partoens, B.; Weiss, A.H. |
|
| |
Title |
Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
|
| |
Volume |
8 |
Issue |
8 |
Pages |
16116 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000405398200001 |
Publication Date |
2017-07-13 |
|
| |
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 |
20 |
Open Access |
|
|
| |
Notes |
The experiments in this work were supported by the grant NSF DMR 1508719. A.H.W and A.R.K. gratefully acknowledge support for the building of advanced positron beam through the grant NSF DMR MRI 1338130. V.C. and R.S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. The computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government (EWI Department). The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. |
Approved |
Most recent IF: 12.124 |
|
| |
Call Number |
CMT @ cmt @ c:irua:144625 |
Serial |
4627 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bruggeman, P.J.; Kushner, M.J.; Locke, B.R.; Gardeniers, J.G.E.; Graham, W.G.; Graves, D.B.; Hofman-Caris, R.C.H.M.; Maric, D.; Reid, J.P.; Ceriani, E.; Fernandez Rivas, D.; Foster, J.E.; Garrick, S.C.; Gorbanev, Y.; Hamaguchi, S.; Iza, F.; Jablonowski, H.; Klimova, E.; Kolb, J.; Krcma, F.; Lukes, P.; Machala, Z.; Marinov, I.; Mariotti, D.; Mededovic Thagard, S.; Minakata, D.; Neyts, E.C.; Pawlat, J.; Petrovic, Z.L.; Pflieger, R.; Reuter, S.; Schram, D.C.; Schröter, S.; Shiraiwa, M.; Tarabová, B.; Tsai, P.A.; Verlet, J.R.R.; von Woedtke, T.; Wilson, K.R.; Yasui, K.; Zvereva, G. |
|
| |
Title |
Plasma–liquid interactions: a review and roadmap |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
| |
Volume |
25 |
Issue |
5 |
Pages |
053002 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Plasma–liquid interactions represent a growing interdisciplinary area of research involving plasma science, fluid dynamics, heat and mass transfer, photolysis, multiphase chemistry and aerosol science. This review provides an assessment of the state-of-the-art of this multidisciplinary area and identifies the key research challenges. The developments in diagnostics, modeling and further extensions of cross section and reaction rate databases that are necessary to address these challenges are discussed. The review focusses on nonequilibrium plasmas. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000384715400001 |
Publication Date |
2016-09-30 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.302 |
Times cited |
460 |
Open Access |
|
|
| |
Notes |
This manuscript originated from discussions at the Lorentz Center Workshop ‘Gas/Plasma–Liquid Interface: Transport, Chemistry and Fundamental Data’ that took place at the Lorentz Center, Leiden University in the Netherlands from August 4, through August 8, 2014, and follow-up discussions since the workshop. All authors acknowledge the support of the Lorentz Center, the COST action TD1208 (Electrical Discharges with Liquids for Future Applications) and the Royal Dutch Academy of Sciences for their financial support. PJB, MJK, DBG and JEF acknowledge the support of the ‘Center on Control of Plasma Kinetics’ of the United States Department of Energy Office of Fusion Energy Science (DE-SC0001319). In addition, PJB and BRL acknowledge the support of the National Science Foundation (PHY 1500135 and CBET 1236225, respectively). In addition the enormous help of Mrs. Victoria Piorek (University of Minnesota) in the formatting of the final document including the references is gratefully acknowledged. |
Approved |
Most recent IF: 3.302 |
|
| |
Call Number |
PLASMANT @ plasmant @ c:irua:144654 |
Serial |
4628 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Hafiz, H.; Suzuki, K.; Barbiellini, B.; Orikasa, Y.; Callewaert, V.; Kaprzyk, S.; Itou, M.; Yamamoto, K.; Yamada, R.; Uchimoto, Y.; Sakurai, Y.; Sakurai, H.; Bansil, A. |
|
| |
Title |
Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Science Advances |
Abbreviated Journal |
Sci. Adv. |
|
| |
Volume |
3 |
Issue |
8 |
Pages |
e1700971 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. We show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000411589900055 |
Publication Date |
2017-08-24 |
|
| |
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 |
|
Times cited |
9 |
Open Access |
|
|
| |
Notes |
The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (grant no. DE-FG02-07ER46352) and benefited from the Northeastern University’s Advanced Scientific Computation Center and the National Energy Research Scientific Computing Center supercomputing center through DOE grant no. DEAC02-05CH11231. The work at Gunma University, Japan Synchrotron Radiation Research Institute (JASRI), and Kyoto University was supported by the Japan Science and Technology Agency. K.S. was supported by Grant-in-Aid for Young Scientists (B) from MEXT KAKENHI under grant nos. 24750065 and 15K17873. The Compton scattering experiments were performed with the approval of JASRI (proposal no. 2014A1289). V.C. was supported by the FWO-Vlaanderen through project no. G. 1161 0224.14N. |
Approved |
Most recent IF: NA |
|
| |
Call Number |
CMT @ cmt @c:irua:145034 |
Serial |
4637 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Vinokur, V.M.; Aguiar, J.A.; Peeters, F.M. |
|
| |
Title |
Superconductivity between standard types: Multiband versus single-band materials |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
93 |
Issue |
93 |
Pages |
174503 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000375527500001 |
Publication Date |
2016-05-06 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
37 |
Open Access |
|
|
| |
Notes |
Conselho Nacional de Desenvolvimento Científico e Tecnológico, 307552/2012-8 141911/2012-3 ; Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco, APQ-0589-1.05/08 ; U.S. Department of Energy; |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
CMT @ cmt @ c:irua:141732 |
Serial |
4480 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Leliaert, J.; Mulkers, J.; De Clercq, J.; Coene, A.; Dvornik, M.; Van Waeyenberge, B. |
|
| |
Title |
Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
AIP advances |
Abbreviated Journal |
Aip Adv |
|
| |
Volume |
7 |
Issue |
12 |
Pages |
125010 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000418492500010 |
Publication Date |
2017-12-11 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.568 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and a postdoctoral fellowship (A.C.). J. L. is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowl- edge the support of NVIDIA Corporation with the donation of the Titan Xp GPU used for this research. |
Approved |
Most recent IF: 1.568 |
|
| |
Call Number |
CMT @ cmt @c:irua:147860 |
Serial |
4799 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V. |
|
| |
Title |
Tunable Snell's law for spin waves in heterochiral magnetic films |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
97 |
Issue |
10 |
Pages |
104422 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Thin ferromagnetic films with an interfacially induced DMI exhibit nontrivial asymmetric dispersion relations that lead to unique and useful magnonic properties. Here we derive an analytical expression for the magnon propagation angle within the micromagnetic framework and show how the dispersion relation can be approximated with a comprehensible geometrical interpretation in the k space of the propagation of spin waves. We further explore the refraction of spin waves at DMI interfaces in heterochiral magnetic films, after deriving a generalized Snell's law tunable by an in-plane magnetic field, that yields analytical expressions for critical incident angles. The found asymmetric Brewster angles at interfaces of regions with different DMI strengths, adjustable by magnetic field, support the conclusion that heterochiral ferromagnetic structures are an ideal platform for versatile spin-wave guides. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000428238600006 |
Publication Date |
2018-03-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
20 |
Open Access |
|
|
| |
Notes |
This work was supported by the Research Foundation- Flanders (FWO-Vlaanderen) through Project No. G098917N. |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
CMT @ cmt @c:irua:150118UA @ admin @ c:irua:150118 |
Serial |
4915 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R. |
|
| |
Title |
Electrostatics of electron-hole interactions in van der Waals heterostructures |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
97 |
Issue |
12 |
Pages |
125427 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000427983700007 |
Publication Date |
2018-03-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
22 |
Open Access |
|
|
| |
Notes |
Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802. |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835 |
Serial |
4953 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Shi, W.; Callewaert, V.; Barbiellini, B.; Saniz, R.; Butterling, M.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R. W.; Brück, E.; Partoens, B.; Bansil, A.; Eijt, S.W. H. |
|
| |
Title |
Nature of the Positron State in CdSe Quantum Dots |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
| |
Volume |
121 |
Issue |
5 |
Pages |
057401 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor quantum dots (QDs) embedded in thin films. The nature of the associated positron state, however, whether the positron is confined inside the QDs or localized at their surfaces, has so far remained unresolved. Our positron-annihilation lifetime spectroscopy studies of CdSe QDs reveal the presence of a strong lifetime component in the narrow range of 358–371 ps, indicating abundant trapping and annihilation of positrons at the surfaces of the QDs. Furthermore, our ab initio calculations of the positron wave function and lifetime employing a recent formulation of the weighted density approximation demonstrate the presence of a positron surface state and predict positron lifetimes close to experimental values. Our study thus resolves the long-standing question regarding the nature of the positron state in semiconductor QDs and opens the way to extract quantitative information on surface composition and ligand-surface interactions of colloidal semiconductor QDs through highly sensitive positron-annihilation techniques. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000440635300012 |
Publication Date |
2018-08-02 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.462 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W. S. We acknowledge financial support for this research from ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7th Framework Program, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at the University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. V. C. and R. S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. Computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government (EWI Department). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the National Energy Research Scientific Computing Center (NERSC) through DOE Grant No. DE-AC02-05CH11231, and support (functionals for modeling positron spectros- copies of layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. |
Approved |
Most recent IF: 8.462 |
|
| |
Call Number |
CMT @ cmt @c:irua:152999UA @ admin @ c:irua:152999 |
Serial |
5009 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Tanner, L.E.; Shapiro, S.M.; Krumhansl, J.A; Schryvers, D.; Noda, Y.; Yamada, Y.; Barsch, G.R.; Gooding, R.; Moss, S.C. |
|
| |
Title |
Firsto order phase transformation in the Ni-Al system |
Type |
A3 Journal Article |
| |
Year |
1992 |
Publication |
Metallurgy and Ceramics |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
A3 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
| |
Abstract |
First-order displacive phase transformations in alloys and compounds are of high technological importance. We have studied this class of phase transformation in the high-temperature-stable Ni-Al f32(B2) phase as a function of composition, temperature, and stress using transmission electron microscopy and neutron scattering. The results show in detail the direct relationship between the unusually low energies of the transformation-related phonon modes and the development of pre-transformation microstructures (strain-embryos, etc.) via anharmonic coupling processes that ultimately lead to the nucleation and growth of the low-temperature martensitic phases. With these results, it is now possible to develop effective models for nonclassical heterogeneous nucleation of martensite transformations in bulk materials. This tills a critical gap and sets the stage for us to proceed in developing a more global understanding of condensed matter transformations including the coupling of displacive with replacive mechanisms. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
|
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
EMAT @ emat @ |
Serial |
5053 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. |
|
| |
Title |
Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
31 |
Issue |
15 |
Pages |
5900-5908 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Solar energy plays an important role in solving serious environmental
problems and meeting the high energy demand. However, the lack of suitable
materials hinders further progress of this technology. Here, we present the largest
inorganic solar cell material search till date using density functional theory (DFT) and
machine-learning approaches. We calculated the spectroscopic limited maximum
efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097
nonmetallic materials and identified 1997 candidates with an SLME higher than 10%,
including 934 candidates with a suitable convex-hull stability and an effective carrier
mass. Screening for two-dimensional-layered cases, we found 58 potential materials
and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar
cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www.
ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000480826900060 |
Publication Date |
2019-08-13 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 9.466 |
|
| |
Call Number |
EMAT @ emat @c:irua:161814 |
Serial |
5291 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Wang, J.; Shin, Y.; Gauquelin, N.; Yang, Y.; Lee, C.; Jannis, D.; Verbeeck, J.; Rondinelli, J.M.; May, S.J. |
|
| |
Title |
Physical properties of epitaxial SrMnO2.5−δFγoxyfluoride films |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
| |
Volume |
31 |
Issue |
36 |
Pages |
365602 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Recently, topotactic fluorination has become an alternative way of doping epitaxial perovskite oxides through anion substitution to engineer their electronic properties instead of the more commonly used cation substitution. In this work, epitaxial oxyfluoride SrMnO2.5−δ F γ films were synthesized via topotactic fluorination of SrMnO2.5 films using polytetrafluoroethylene as the fluorine source. Oxidized SrMnO3 films were also prepared for comparison with the fluorinated samples. The F content, probed by x-ray photoemission spectroscopy, was systematically controlled by adjusting fluorination conditions. Electronic transport measurements reveal that increased F content (up to γ = 0.14) systematically increases the electrical resistivity, despite the nominal electron-doping induced by F substitution for O in these films. In contrast, oxidized SrMnO3 exhibits a decreased resistivity and conduction activation energy. A blue-shift of optical absorption features occurs with increasing F content. Density functional theory calculations indicate that F acts as a scattering center for electronic transport, controls the observed weak ferromagnetic behavior of the films, and reduces the inter-band optical transitions in the manganite films. These results stand in contrast to bulk electron-doped La1−x Ce x MnO3, illustrating how aliovalent anionic substitutions can yield physical behavior distinct from A-site substituted perovskites with the same nominal B-site oxidation states. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000472232000002 |
Publication Date |
2019-09-11 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.649 |
Times cited |
5 |
Open Access |
|
|
| |
Notes |
Work at Drexel was supported by the National Science Foundation (NSF), grant number CMMI-1562223. Thin film synthesis utilized deposition instrumentation acquired through an Army Research Office DURIP grant (W911NF-14-1-0493). Y.S and J.M.R. were supported by NSF (Grant No. DMR-1454688). Calculations were performed using the QUEST HPC Facility at Northwestern, the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by NSF Grant No. ACI-1053575, and the Center for Nanoscale Materials (Carbon Cluster). Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. J.V. and N. G. acknowledge funding from a GOA project “Solarpaint” of the University of Antwerp. D.J. acknowledges funding from FWO project G093417N from the Flemish fund for scientific research. |
Approved |
Most recent IF: 2.649 |
|
| |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:161174 |
Serial |
5293 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Keunecke, M.; Lyzwa, F.; Schwarzbach, D.; Roddatis, V.; Gauquelin, N.; Müller-Caspary, K.; Verbeeck, J.; Callori, S.J.; Klose, F.; Jungbauer, M.; Moshnyaga, V. |
|
| |
Title |
High-TCInterfacial Ferromagnetism in SrMnO3/LaMnO3Superlattices |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv. Funct. Mater. |
|
| |
Volume |
|
Issue |
|
Pages |
1808270 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Heterostructures of strongly correlated oxides demonstrate various intriguing and potentially useful interfacial phenomena. LaMnO3/SrMnO3 superlattices are presented showcasing a new high‐temperature ferromagnetic phase with Curie temperature, TC ≈360 K, caused by electron transfer from the surface of the LaMnO3 donor layer into the neighboring SrMnO3 acceptor layer. As a result, the SrMnO3 (top)/LaMnO3 (bottom) interface shows an enhancement of the magnetization as depth‐profiled by polarized neutron reflectometry. The length scale of charge transfer, λTF ≈2 unit cells, is obtained from in situ growth monitoring by optical ellipsometry, supported by optical simulations, and further confirmed by high resolution electron microscopy and spectroscopy. A model of the inhomogeneous distribution of electron density in LaMnO3/SrMnO3 layers along the growth direction is concluded to account for a complex interplay between ferromagnetic and antiferromagnetic layers in superlattices. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000535358900008 |
Publication Date |
2019-02-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1616301X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
15.621 |
Times cited |
26 |
Open Access |
|
|
| |
Notes |
The authors thank EU FP7 Framework (Project IFOX) and DFG (SFB 1073, TP B04, A02, Z02) for the financial support. J.V., K.M.C and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp and from the FWO project G.0044.13N (Charge ordering). The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. The PNR experiment was funded by the Australian Nuclear Science and Technology Organization (proposal number P3985). |
Approved |
Most recent IF: NA |
|
| |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:162108 |
Serial |
5294 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J. |
|
| |
Title |
Interstitial defects in the van der Waals gap of Bi2Se3 |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) |
Abbreviated Journal |
Acta Crystallogr B |
|
| |
Volume |
75 |
Issue |
4 |
Pages |
717-732 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000480512600024 |
Publication Date |
2019-08-01 |
|
| |
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 |
2.032 |
Times cited |
|
Open Access |
|
|
| |
Notes |
University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 2.032 |
|
| |
Call Number |
EMAT @ emat @c:irua:161847 |
Serial |
5295 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Vanmeert, M.; Razzokov, J.; Mirza, M.U.; Weeks, S.D.; Schepers, G.; Bogaerts, A.; Rozenski, J.; Froeyen, M.; Herdewijn, P.; Pinheiro, V.B.; Lescrinier, E. |
|
| |
Title |
Rational design of an XNA ligase through docking of unbound nucleic acids to toroidal proteins |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Nucleic acids research |
Abbreviated Journal |
Nucleic Acids Res |
|
| |
Volume |
47 |
Issue |
13 |
Pages |
7130-7142 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Xenobiotic nucleic acids (XNA) are nucleic acid analogues not present in nature that can be used for the storage of genetic information. In vivo XNA applications could be developed into novel biocontainment strategies, but are currently limited by the challenge of developing XNA processing enzymes such as polymerases, ligases and nucleases. Here, we present a structure-guided modelling-based strategy for the rational design of those enzymes essential for the development of XNA molecular biology. Docking of protein domains to unbound double-stranded nucleic acids is used to generate a first approximation of the extensive interaction of nucleic acid processing enzymes with their substrate. Molecular dynamics is used to optimise that prediction allowing, for the first time, the accurate prediction of how proteins that form toroidal complexes with nucleic acids interact with their substrate. Using the Chlorella virus DNA ligase as a proof of principle, we recapitulate the ligase's substrate specificity and successfully predict how to convert it into an XNA-templated XNA ligase. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000490556600047 |
Publication Date |
2019-07-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0305-1048 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
10.162 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
European Research Council, FP7/2007-2013 ERC-2012-ADG 20120216/320683 ; KU Leuven, OT/14/128 ; Biotechnology and Biosciences Research Council, BB/N01023X/1 BB/N010221/1 ; Authors are grateful to Prof. Dr A.M.J.J. (Alexandre) Bonvin from the University of Utrecht and the WeNMR institute for his expert contribution. We have greatly benefited from discussions and help from numerous postdocs over the years (in particular, Dr E. Groaz, Dr E. Eremeeva, Dr J. Masschelein, Dr S. Xiaoping and Dr M. Renders) as well as graduate student D. Kestemont and undergraduate student M. Abdel Fattah Ismail. We express our gratitude to L. Margamuljana for helpful discussions and excellent technical assistance on in vitro experiments. |
Approved |
Most recent IF: 10.162 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:162105 |
Serial |
5359 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Gvozdetskyi, V.; Bhaskar, G.; Batuk, M.; Zhao, X.; Wang, R.; Carnahan, S.L.; Hanrahan, M.P.; Ribeiro, R.A.; Canfield, P.C.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J.V. |
|
| |
Title |
Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
|
| |
Volume |
58 |
Issue |
44 |
Pages |
15855-15862 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Two novel lithium nickel boride polymorphs RT-LiNiB and HT-LiNiB with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized via a hydride route with LiH precursor as a lithium source. Being unique among the known ternary transition metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers, composed of Ni hexagonal rings centered by B-B pairs. A comprehensive study using a combination of single crystal/synchrotron powder X-ray diffraction data, solid-state 7Li and 11B NMR, scanning transmission electron microscopy, quantum chemistry calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors to further study their exfoliation, paving a way toward two-dimensional transition metal borides, MBenes. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000491219600038 |
Publication Date |
2019-10-28 |
|
| |
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 |
|
Open Access |
|
|
| |
Notes |
the Gordon and Betty Moore Foundation’s EPiQS Initiative through Grant GBMF4411. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract #DE-AC02-07CH11358. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. |
Approved |
Most recent IF: 11.994 |
|
| |
Call Number |
EMAT @ emat @c:irua:164752 |
Serial |
5433 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Kuo, C.-T.; Lin, S.-C.; Ghiringhelli, G.; Peng, Y.; De Luca, G.M.; Di Castro, D.; Betto, D.; Gehlmann, M.; Wijnands, T.; Huijben, M.; Meyer-Ilse, J.; Gullikson, E.; Kortright, J.B.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Gerber, T.; Balestrino, G.; Brookes, N.B.; Braicovich, L.; Fadley, C.S. |
|
| |
Title |
Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic-ferromagnet interface through standing wave excitation |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
98 |
Issue |
23 |
Pages |
235146 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We demonstrate that combining standing wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide heterostructures. SW-RIXS has been applied to multilayer heterostructures consisting of a superconductor La1.85Sr0.15CuO4 (LSCO) and a half-metallic ferromagnet La0.67Sr0.33MnO3 (LSMO). Easily observable SW effects on the RIXS excitations were found in these LSCO/LSMO multilayers. In addition, we observe different depth distribution of the RIXS excitations. The magnetic excitations are found to arise from the LSCO/LSMO interfaces, and there is also a suggestion that one of the dd excitations comes from the interfaces. SW-RIXS measurements of correlated-oxide and other multilayer heterostructures should provide unique layer-resolved insights concerning their orbital and magnetic excitations, as well as a challenge for RIXS theory to specifically deal with interface effects. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000454160800004 |
Publication Date |
2018-12-21 |
|
| |
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 |
J.V. and N.G. acknowledge ˝ funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
UA @ admin @ c:irua:156784 |
Serial |
5363 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Ghasemitarei, M.; Yusupov, M.; Razzokov, J.; Shokri, B.; Bogaerts, A. |
|
| |
Title |
Effect of oxidative stress on cystine transportation by xC‾ antiporter |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
Arch Biochem Biophys |
|
| |
Volume |
674 |
Issue |
|
Pages |
108114 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We performed computer simulations to investigate the effect of oxidation on the extracellular cystine (CYC) uptake by the xC− antiporter. The latter is important for killing of cancer cells. Specifically, applying molecular dynamics (MD) simulations we studied the transport of CYC across xCT, i.e., the light subunit of the xC− antiporter, in charge of bidirectional transport of CYC and glutamate. We considered the outward facing (OF) configuration of xCT, and to study the effect of oxidation, we modified the Cys327 residue, located in the vicinity of the extracellular milieu, to cysteic acid (CYO327). Our computational results showed that oxidation of Cys327 results in a free energy barrier for CYC translocation, thereby blocking the access of CYC to the substrate binding site of the OF system. The formation of the energy barrier was found to be due to the conformational changes in the channel. Analysis of the MD trajectories revealed that the reorganization of the side chains of the Tyr244 and CYO327 residues play a critical role in the OF channel blocking. Indeed, the calculated distance between Tyr244 and either Cys327 or CYO327 showed a narrowing of the channel after oxidation. The obtained free energy barrier for CYC translocation was found to be 33.9kJmol−1, indicating that oxidation of Cys327, by e.g., cold atmospheric plasma, is more effective in inhibiting the xC− antiporter than in the mutation of this amino acid to Ala (yielding a barrier of 32.4kJmol−1). The inhibition of the xC− antiporter may lead to Cys starvation in some cancer cells, eventually resulting in cancer cell death. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000525439700011 |
Publication Date |
2019-09-23 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-9861 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.165 |
Times cited |
|
Open Access |
|
|
| |
Notes |
Ministry of Science, Research and Technology of Iran; University of Antwerp; Research Foundation − Flanders, 1200219N ; Universiteit Antwerpen; Hercules Foundation; Flemish Government; UA; M. G. acknowledges funding from the Ministry of Science, Research and Technology of Iran and from the University of Antwerp in Belgium. M. Y. gratefully acknowledges financial support from the Research Foundation − Flanders (FWO), grant number 1200219N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Finally, we thank A. S. Mashayekh Esfehan and A. Mohseni for their important comments on the manuscript. |
Approved |
Most recent IF: 3.165 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:163474 |
Serial |
5372 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Oliveira, M.C.; Yusupov, M.; Bogaerts, A.; Cordeiro, R.M. |
|
| |
Title |
Molecular dynamics simulations of mechanical stress on oxidized membranes |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Biophysical chemistry |
Abbreviated Journal |
Biophys Chem |
|
| |
Volume |
254 |
Issue |
|
Pages |
106266 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Biomembranes are under constant attack of free radicals that may lead to lipid oxidation in conditions of oxidative stress. The products generated during lipid oxidation are responsible for structural and dynamical changes which may jeopardize the membrane function. For instance, the local rearrangements of oxidized lipid molecules may induce membrane rupture. In this study, we investigated the effects of mechanical stress on oxidized phospholipid bilayers (PLBs). Model bilayers were stretched until pore formation (or poration) using nonequilibrium molecular dynamics simulations. We studied single-component homogeneous membranes composed of lipid oxidation products, as well as two-component heterogeneous membranes with coexisting native and oxidized domains. In homogeneous membranes, the oxidation products with —OH and —OOH groups reduced the areal strain required for pore formation, whereas the oxidation product with ]O group behaved similarly to the native membrane. In heterogeneous membranes composed of oxidized and non-oxidized domains, we tested the hypothesis according to which poration may be facilitated at the domain interface region. However, results were inconclusive due to their large statistical variance and sensitivity to simulation setup parameters. We pointed out important technical issues that need to be considered in future simulations of mechanically-induced poration of heterogeneous membranes. This research is of interest for photodynamic therapy and plasma medicine, because ruptured and intact plasma membranes are experimentally considered hallmarks of necrotic and apoptotic cell death. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000502890900015 |
Publication Date |
2019-09-13 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0301-4622 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.402 |
Times cited |
|
Open Access |
|
|
| |
Notes |
São Paulo Research Foundation, 2012/50680-5 ; National Counsel of Technological and Scientific Development, 459270/2014-1 ; We are thankful for the financial support received from the São Paulo Research Foundation (FAPESP) (grant no. 2012/50680-5) and from the National Counsel of Technological and Scientific Development (CNPq) (grant no. 459270/2014-1). MCO acknowledges UFABC for the Master's scholarship granted. |
Approved |
Most recent IF: 2.402 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:163477 |
Serial |
5374 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Idrissi, H.; Ghidelli, M.; Béché, A.; Turner, S.; Gravier, S.; Blandin, J.-J.; Raskin, J.-P.; Schryvers, D.; Pardoen, T. |
|
| |
Title |
Atomic-scale viscoplasticity mechanisms revealed in high ductility metallic glass films |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
| |
Volume |
9 |
Issue |
1 |
Pages |
13426 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The fundamental plasticity mechanisms in thin freestanding Zr65Ni35 metallic glass films are investigated in order to unravel the origin of an outstanding strength/ductility balance. The deformation process is homogenous until fracture with no evidence of catastrophic shear banding. The creep/relaxation behaviour of the films was characterized by on-chip tensile testing, revealing an activation volume in the range 100–200 Å3. Advanced high-resolution transmission electron microscopy imaging and spectroscopy exhibit a very fine glassy nanostructure with well-defined dense Ni-rich clusters embedded in Zr-rich clusters of lower atomic density and a ~2–3 nm characteristic length scale. Nanobeam electron diffraction analysis reveals that the accumulation of plastic deformation at roomtemperature
correlates with monotonously increasing disruption of the local atomic order. These results provide experimental evidences of the dynamics of shear transformation zones activation in metallic glasses. The impact of the nanoscale structural heterogeneities on the mechanical properties including the rate dependent behaviour is discussed, shedding new light on the governing plasticity mechanisms in metallic glasses with initially heterogeneous atomic arrangement. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000486139700008 |
Publication Date |
2019-09-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.259 |
Times cited |
|
Open Access |
|
|
| |
Notes |
H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). This work was supported by the FNRS under Grant PDR – T.0178.19. FWO project G093417N (‘Compressed sensing enabling low dose imaging in transmission electron microscopy’) and Hercules fund ‘Direct electron detector for soft matter TEM’ from Flemish Government are acknowledged. |
Approved |
Most recent IF: 4.259 |
|
| |
Call Number |
EMAT @ emat @c:irua:162786 |
Serial |
5375 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nord, M.; Semisalova, A.; Kákay, A.; Hlawacek, G.; MacLaren, I.; Liersch, V.; Volkov, O.M.; Makarov, D.; Paterson, G.W.; Potzger, K.; Lindner, J.; Fassbender, J.; McGrouther, D.; Bali, R. |
|
| |
Title |
Strain Anisotropy and Magnetic Domains in Embedded Nanomagnets |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Small |
Abbreviated Journal |
Small |
|
| |
Volume |
|
Issue |
|
Pages |
1904738 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Nanoscale modifications of strain and magnetic anisotropy can open pathways to engineering magnetic domains for device applications. A periodic magnetic domain structure can be stabilized in sub‐200 nm wide linear as well as curved magnets, embedded within a flat non‐ferromagnetic thin film. The nanomagnets are produced within a non‐ferromagnetic B2‐ordered Fe60Al40 thin film, where local irradiation by a focused ion beam causes the formation of disordered and strongly ferromagnetic regions of A2 Fe60Al40. An anisotropic lattice relaxation is observed, such that the in‐plane lattice parameter is larger when measured parallel to the magnet short‐axis as compared to its length. This in‐plane structural anisotropy manifests a magnetic anisotropy contribution, generating an easy‐axis parallel to the short axis. The competing effect of the strain and shape anisotropies stabilizes a periodic domain pattern in linear as well as spiral nanomagnets, providing a versatile and geometrically controllable path to engineering the strain and thereby the magnetic anisotropy at the nanoscale. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000495563400001 |
Publication Date |
2019-11-11 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1613-6810 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.643 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
Deutsche Forschungsgemeinschaft, BA5656/1‐1 ; Engineering and Physical Sciences Research Council, EP/M009963/1 ; |
Approved |
Most recent IF: 8.643 |
|
| |
Call Number |
EMAT @ emat @c:irua:164059 |
Serial |
5376 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nord, M.; Verbeeck, J. |
|
| |
Title |
Towards Reproducible and Transparent Science of (Big) Electron Microscopy Data Using Version Control |
Type |
P1 Proceeding |
| |
Year |
2019 |
Publication |
Microscopy and microanalysis
T2 – Microscopy & Microanalysis 2019, 4-8 August, 2019, Portland, Oregon |
Abbreviated Journal |
Microsc Microanal |
|
| |
Volume |
25 |
Issue |
S2 |
Pages |
232-233 |
|
| |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
2019-08-05 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1431-9276 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
1.891 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.891 |
|
| |
Call Number |
EMAT @ emat @c:irua:164058 |
Serial |
5377 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nord, M.; Verbeeck, J. |
|
| |
Title |
Open Source Development Tools for Robust and Reproducible Electron Microscopy Data Analysis |
Type |
P3 |
| |
Year |
2019 |
Publication |
Microscopy And Microanalysis |
Abbreviated Journal |
Microsc Microanal |
|
| |
Volume |
25 |
Issue |
S2 |
Pages |
138-139 |
|
| |
Keywords |
P3; Electron Microscopy for Materials Science (EMAT) ; |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
2019-08-05 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1431-9276 |
ISBN |
|
Additional Links |
|
|
| |
Impact Factor |
1.891 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.891 |
|
| |
Call Number |
EMAT @ emat @ |
Serial |
5378 |
|
| Permanent link to this record |
| |
|
| |
|
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
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 |
|
| Permanent link to this record |
