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Author |
Moldovan, D.; Peeters, F.M. |
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Title |
Atomic Collapse in Graphene |
Type |
P1 Proceeding |
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Year |
2016 |
Publication |
Nanomaterials For Security |
Abbreviated Journal |
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Pages |
3-17 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
When the charge Z of an atom exceeds the critical value of 170, it will undergo a process called atomic collapse which triggers the spontaneous creation of electron-positron pairs. The high charge requirements have prevented the observation of this phenomenon with real atomic nuclei. However, thanks to the relativistic nature of the carriers in graphene, the same physics is accessible at a much lower scale. The atomic collapse analogue in graphene is realized using artificial nuclei which can be created via the deposition of impurities on the surface of graphene or using charged vacancies. These supercritically charged artificial nuclei trap electrons in a sequence of quasi-bound states which can be observed experimentally as resonances in the local density of states. |
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Springer |
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Dordrecht |
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000386506200001 |
Publication Date |
2016-07-20 |
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978-94-017-7593-9; 978-94-017-7591-5 |
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UA library record; WoS full record; WoS citing articles |
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Times cited |
3 |
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Notes |
; ; |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:138237 |
Serial |
4348 |
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Author |
Sobrino Fernández, M. |
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Title |
Confinement induced assembly of anisotropic particles : patchy colloids and water molecules |
Type |
Doctoral thesis |
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Year |
2016 |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:135841 |
Serial |
4349 |
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Author |
Moldovan, D. |
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Title |
Electronic properties of strained graphene and supercritical charge centers |
Type |
Doctoral thesis |
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Year |
2016 |
Publication |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:135792 |
Serial |
4352 |
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Author |
Van de Put, M.L. |
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Title |
Modeling of quantum electron transport with applications in energy filtering nanostructures |
Type |
Doctoral thesis |
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Year |
2016 |
Publication |
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Abbreviated Journal |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:138752 |
Serial |
4357 |
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Author |
Verreck, D.; Verhulst, A.S.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G. |
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Title |
Non-uniform strain in lattice-mismatched heterostructure tunnel field-effect transistors |
Type |
P1 Proceeding |
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Year |
2016 |
Publication |
Solid-State Device Research (ESSDERC), European Conference
T2 – 46th European Solid-State Device Research Conference (ESSDERC) / 42nd, European Solid-State Circuits Conference (ESSCIRC), SEP 12-15, 2016, Lausanne, SWITZERLAND |
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Issue |
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Pages |
412-415 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
Because of its localized impact on the band structure, non-uniform strain at the heterojunction between lattice-mismatched materials has the potential to significantly enlarge the design space for tunnel-field effect transistors (TFET). However, the impact of a complex strain profile on TFET performance is difficult to predict. We have therefore developed a 2D quantum mechanical transport formalism capable of simulating the effects of a general non-uniform strain. We demonstrate the formalism for the GaAsxSb(1-x)/InyGa(1-y) As system and show that a performance improvement over a lattice-matched reference is indeed possible, allowing for relaxed requirements on the source doping. We also point out that the added design parameter of mismatch is not free, but limited by the desired effective bandgap at the tunnel junction. |
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Ieee |
Place of Publication |
New york |
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ISSN |
978-1-5090-2969-3 |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:138233 |
Serial |
4358 |
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Author |
Eijt, S.W.H.; Shi, W.; Mannheim, A.; Butterling, M.; Schut, H.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R.W.; Callewaert, V.; Saniz, R.; Partoens, B.; Barbiellini, B.; Bansil, A.; Melskens, J.; Zeman, M.; Smets, A.H.M.; Kulbak, M.; Hodes, G.; Cahen, D.; Brück, E. |
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Title |
New insights into the nanostructure of innovative thin film solar cells gained by positron annihilation spectroscopy |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
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Volume |
791 |
Issue |
791 |
Pages |
012021 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recent studies showed that positron annihilation methods can provide key insights into the nanostructure and electronic structure of thin film solar cells. In this study, positron annihilation lifetime spectroscopy (PALS) is applied to investigate CdSe quantum dot (QD) light absorbing layers, providing evidence of positron trapping at the surfaces of the QDs. This enables one to monitor their surface composition and electronic structure. Further, 2D-Angular Correlation of Annihilation Radiation (2D-ACAR) is used to investigate the nanostructure of divacancies in photovoltaic-high-quality a-Si:H films. The collected momentum distributions were converted by Fourier transformation to the direct space representation of the electron-positron autocorrelation function. The evolution of the size of the divacancies as a function of hydrogen dilution during deposition of a-Si:H thin films was examined. Finally, we present a first positron Doppler Broadening of Annihilation Radiation (DBAR) study of the emerging class of highly efficient thin film solar cells based on perovskites. |
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Wos |
000400610500021 |
Publication Date |
2017-02-22 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1742-6588 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
1 |
Open Access |
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Notes |
The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W.S., by ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands (www.adem- innovationlab.nl), and the STW Vidi grant of A.S., Grant No. 10782. 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 7 th Framework Programme, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. Research at the University of Antwerp was supported by FWO grants G022414N and G015013. 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. The work at the Weizmann Institute was supported by the Sidney E. Frank Foundation through the Israel Science Foundation, by the Israel Ministry of Science, and the Israel National Nano-Initiative. D.C. holds the Sylvia and Rowland Schaefer Chair in Energy Research. |
Approved |
Most recent IF: NA |
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Call Number |
CMT @ cmt @ c:irua:140850 |
Serial |
4426 |
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Author |
Neilson, D.; Perali, A.; Zarenia, M. |
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Title |
Many-body electron correlations in graphene |
Type |
P1 Proceeding |
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Year |
2016 |
Publication |
(mbt18) |
Abbreviated Journal |
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Volume |
702 |
Issue |
702 |
Pages |
012008 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity. |
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Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
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Wos |
000389756000008 |
Publication Date |
2016-04-29 |
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Series Volume |
702 |
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ISSN |
1742-6588; 1742-6596 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
3 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:140268 |
Serial |
4455 |
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Author |
Petrovic, M. |
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Title |
Characterization of scanning gate technique and transport in nanostructured graphene |
Type |
Doctoral thesis |
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Year |
2017 |
Publication |
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Abbreviated Journal |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Open Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:144015 |
Serial |
4590 |
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Author |
Milovanović, S. |
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Title |
Electronic transport properties in nano- and micro-engineered graphene structures |
Type |
Doctoral thesis |
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Year |
2017 |
Publication |
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Abbreviated Journal |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:143632 |
Serial |
4595 |
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Author |
Fernández Becerra, V.L. |
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Title |
Novel mesoscopic effects and topological states in chiral p-wave superconductors |
Type |
Doctoral thesis |
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Year |
2017 |
Publication |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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UA library record |
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Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:144012 |
Serial |
4601 |
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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. |
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Title |
Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Science Advances |
Abbreviated Journal |
Sci. Adv. |
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Volume |
3 |
Issue |
8 |
Pages |
e1700971 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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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. |
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000411589900055 |
Publication Date |
2017-08-24 |
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ISSN |
2375-2548 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
9 |
Open Access |
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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 |
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Call Number |
CMT @ cmt @c:irua:145034 |
Serial |
4637 |
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Author |
Moors, K.; Soree, B.; Tokei, Z.; Magnus, W. |
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Title |
Electron relaxation times and resistivity in metallic nanowires due to tilted grain boundary planes |
Type |
P1 Proceeding |
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Year |
2015 |
Publication |
On Ultimate Integration On Silicon (eurosoi-ulis) |
Abbreviated Journal |
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Issue |
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Pages |
201-204 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We calculate the resistivity contribution of tilted grain boundaries with varying parameters in sub-10nm diameter metallic nanowires. The results have been obtained with the Boltzmann transport equation and Fermi's golden rule, retrieving correct state-dependent relaxation times. The standard approximation schemes for the relaxation times are shown to fail when grain boundary tilt is considered. Grain boundaries tilted under the same angle or randomly tilted induce a resistivity decrease. |
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Ieee |
Place of Publication |
New york |
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ISSN |
978-1-4799-6911-1 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:144776 |
Serial |
4651 |
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Author |
Verhulst, A.S.; Verreck, D.; Smets, Q.; Kao, K.-H.; Van de Put, M.; Rooyackers, R.; Sorée, B.; Vandooren, A.; De Meyer, K.; Groeseneken, G.; Heyns, M.M.; Mocuta, A.; Collaert, N.; Thean, A.V.-Y. |
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Title |
Perspective of tunnel-FET for future low-power technology nodes |
Type |
P1 Proceeding |
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Year |
2014 |
Publication |
2014 Ieee International Electron Devices Meeting (iedm) |
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P1 Proceeding; Condensed Matter Theory (CMT) |
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Corporate Author |
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Thesis |
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| |
Publisher |
Ieee |
Place of Publication |
New york |
Editor |
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| |
Language |
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Wos |
|
Publication Date |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
978-1-4799-8000-0 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:144789 |
Serial |
4679 |
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| Permanent link to this record |
| |
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| |
|
Author |
Mirzakhani, M. |
|
| |
Title |
Electronic properties and energy levels of graphene quantum dots |
Type |
Doctoral thesis |
| |
Year |
2017 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
|
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| |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:147179 |
Serial |
4781 |
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| Permanent link to this record |
| |
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| |
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Author |
Reijniers, J.; Partoens, B.; Peremans, H. |
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| |
Title |
DIY measurement of your personal HRTF at home : low-cost, fast and validated |
Type |
P3 Proceeding |
| |
Year |
2017 |
Publication |
|
Abbreviated Journal |
|
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| |
Volume |
|
Issue |
|
Pages |
1-5 |
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| |
Keywords |
P3 Proceeding; Engineering sciences. Technology; Engineering Management (ENM); Condensed Matter Theory (CMT) |
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| |
Abstract |
<script type='text/javascript'>document.write(unpmarked('The breakthrough of 3D audio has been hampered by the lack of personalized head-related transfer functions (HRTF) required to create realistic 3D audio environments using headphones. In this paper we present a new method for the user to personalize his/her HRTF, similar to the measurement in an anechoic room, yet it is low-cost and can be carried out at home. We compare the resulting HRTFs with those measured in an anechoic room. Subjecting the participants to a virtual localization experiment, we show that they perform significantly better when using their personalized HRTF, compared to a generic HRTF. We believe this method has the potential of opening the way for large scale commercial use of 3D audio through headphones.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Audio Engineering Society |
Place of Publication |
|
Editor |
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Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:148068 |
Serial |
4871 |
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| Permanent link to this record |
| |
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| |
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Author |
Aierken, Y. |
|
| |
Title |
First-principles studies of novel two-dimensional materials and their physical properties |
Type |
Doctoral thesis |
| |
Year |
2017 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| |
Language |
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Wos |
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Publication Date |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record; |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:147503 |
Serial |
4874 |
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| Permanent link to this record |
| |
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| |
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Author |
Jelić, Ž. |
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| |
Title |
Emergent vortex phenomena in spatially and temporally modulated superconducting condensates |
Type |
Doctoral thesis |
| |
Year |
2018 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Liège |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:149394 |
Serial |
4932 |
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| Permanent link to this record |
| |
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| |
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Author |
De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B. |
|
| |
Title |
Resistivity scaling model for metals with conduction band anisotropy |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
2 |
Issue |
3 |
Pages |
033801 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
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| |
Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
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| |
Language |
|
Wos |
000426787600001 |
Publication Date |
2018-03-07 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 |
Serial |
4947 |
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| Permanent link to this record |
| |
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| |
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Author |
Bekaert, J. |
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| |
Title |
Ab initio description of multicomponent superconductivity in bulk to atomically thin materials |
Type |
Doctoral thesis |
| |
Year |
2018 |
Publication |
|
Abbreviated Journal |
|
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| |
Volume |
|
Issue |
|
Pages |
|
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| |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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| |
Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| |
Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
|
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| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:151304 |
Serial |
4961 |
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| Permanent link to this record |
| |
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| |
|
Author |
Andelkovic, M.; Covaci, L.; Peeters, F.M. |
|
| |
Title |
DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
2 |
Issue |
3 |
Pages |
034004 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
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| |
Language |
|
Wos |
000427822700002 |
Publication Date |
2018-03-20 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
27 |
Open Access |
|
|
| |
Notes |
; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 |
Serial |
4964 |
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| Permanent link to this record |
| |
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| |
|
Author |
Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N. |
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| |
Title |
Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations |
Type |
P1 Proceeding |
| |
Year |
2017 |
Publication |
Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
303-311 |
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| |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first-principles calculations with Non-Equilibrium Green functions transport simulations. The intrinsic contact resistivity is found to saturate at similar to 2x10(-10) Omega.cm(2) with the doping concentration and sets an intrinsic limit to the ultimate contact resistance achievable for n-doped Si vertical bar amorphous-TiSi. This limit arises from the intrinsic properties of the semiconductor and of the metal such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting metals with a heavy electron effective mass helps reducing the interface intrinsic contact resistivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
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| |
Language |
|
Wos |
000426271800028 |
Publication Date |
2017-10-17 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
80 |
Series Issue |
1 |
Edition |
|
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| |
ISSN |
978-1-62332-470-4; 978-1-60768-818-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
1 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:149966 |
Serial |
4976 |
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| Permanent link to this record |
| |
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| |
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Author |
Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G. |
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| |
Title |
Self-consistent 30-band simulation approach for (non-)uniformly strained confined heterostructure tunnel field-effect transistors |
Type |
P1 Proceeding |
| |
Year |
2017 |
Publication |
Simulation of Semiconductor Processes and, Devices (SISPAD)AND DEVICES (SISPAD 2017) |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
29-32 |
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| |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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| |
Abstract |
Heterostructures of III-V materials under a mechanical strain are being actively researched to enhance the performance of the tunnel field-effect transistor (TFET). In scaled III-V device structures, however, the interplay between the effects of strain and quantum confinement on the semiconductor band structure and hence the performance is highly non-trivial. We have therefore developed a computationally efficient quantum mechanical simulator Pharos, which enables self-consistent full-zone k.p-based simulations of III-V TFETs under a general non-uniform strain. We present the self-consistent procedure and demonstrate it on confined staggered bandgap GaAs0.5Sb0.5/In0.53Ga0.47As TFETs. We find a large performance degradation due to size-induced quantum confinement compared to non-confined devices. We show that some performance can be regained either by applying a uniform biaxial tensile strain or through the non-uniform strain profile at a lattice-mismatched heterostructure. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
Ieee |
Place of Publication |
New york |
Editor |
|
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| |
Language |
|
Wos |
|
Publication Date |
|
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
978-4-86348-610-2 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:149949 |
Serial |
4978 |
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| Permanent link to this record |
| |
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| |
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Author |
Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M. |
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| |
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 |
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| |
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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Address |
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Corporate Author |
|
Thesis |
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| |
Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
|
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| |
Language |
|
Wos |
000434996900022 |
Publication Date |
2018-02-13 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2399-6528 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
9 |
Open Access |
|
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| |
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 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Saberi-Pouya, S. |
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| |
Title |
Many body properties in monolayer and doublelayer black phosphorus |
Type |
Doctoral thesis |
| |
Year |
2018 |
Publication |
|
Abbreviated Journal |
|
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| |
Volume |
|
Issue |
|
Pages |
|
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| |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:151744 |
Serial |
5032 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Kalashami, H.G.; Neek-Amal, M.; Peeters, F.M. |
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| |
Title |
Slippage dynamics of confined water in graphene oxide capillaries |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
2 |
Issue |
7 |
Pages |
074004 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water. |
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| |
Address |
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Corporate Author |
|
Thesis |
|
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| |
Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
|
| |
Language |
|
Wos |
000439435200006 |
Publication Date |
2018-07-23 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; We acknowledge fruitful discussions with Andre K. Geim, Irina Grigorieva, and Rahul R. Nair. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:152409UA @ admin @ c:irua:152409 |
Serial |
5128 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G. |
|
| |
Title |
Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs |
Type |
P1 Proceeding |
| |
Year |
2018 |
Publication |
Conference digest
T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA |
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P1 Proceeding; Condensed Matter Theory (CMT) |
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Ieee |
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New york |
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978-1-5386-3028-0 |
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Additional Links |
UA library record; WoS full record |
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Open Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:153780 |
Serial |
5106 |
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Author |
Callewaert, V. |
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Title |
Development and application of a non-local theory for the description of positron surface states |
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Doctoral thesis |
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Year |
2018 |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Antwerpen |
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UA library record |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:155688 |
Serial |
5089 |
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Author |
de Aquino, B.R.C.H.T. |
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Title |
Carbon nanotubes and graphene based devices : from nanosensors to confined water |
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Doctoral thesis |
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Year |
2018 |
Publication |
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Abbreviated Journal |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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Antwerpen |
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Additional Links |
UA library record |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:154838 |
Serial |
5081 |
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Author |
Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. |
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Title |
First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes |
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A1 Journal article |
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Year |
2019 |
Publication |
MRS advances |
Abbreviated Journal |
MRS Adv. |
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Volume |
4 |
Issue |
14 |
Pages |
813-820 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance. |
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000466846700004 |
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2019-02-21 |
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ISSN |
2059-8521 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
3 |
Open Access |
Not_Open_Access: Available from 22.02.2020
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Notes |
We acknowledge the financial support of FWO-Vlaanderen through project G040116N. 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: NA |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:160121 |
Serial |
5179 |
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Author |
Bekaert, J. |
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Title |
Ab initio description of multicomponent superconductivity in bulk to atomically thin materials |
Type |
Doctoral thesis |
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Year |
2018 |
Publication |
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Abbreviated Journal |
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Volume |
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Pages |
290 p. |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Additional Links |
UA library record |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:151304 |
Serial |
5192 |
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| Permanent link to this record |
