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	Author	Komendová, L.; Chen, Y.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.
	Title	Two-band superconductors : hidden criticality deep in the superconducting state			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	108	Issue	20	Pages	207002-207002,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show that two-band superconductors harbor hidden criticality deep in the superconducting state, stemming from the critical temperature of the weaker band taken as an independent system. For sufficiently small interband coupling gamma the coherence length of the weaker band exhibits a remarkable deviation from the conventional monotonic increase with temperature, namely, a pronounced peak close to the hidden critical point. The magnitude of the peak scales as proportional to gamma(-mu), with the Landau critical exponent mu = 1/3, the same as found for the mean-field critical behavior with respect to the source field in ferromagnets and ferroelectrics. Here reported hidden criticality of multiband superconductors can be experimentally observed by, e.g., imaging of the variations of the vortex core in a broader temperature range. Similar effects are expected for the superconducting multilayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000304064000017	Publication Date	2012-05-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	75	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). Useful discussions with A. V. Vagov are acknowledged. ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:98945			Serial	3770
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	Author	Lin, N.S.; Misko, V.R.; Peeters, F.M.
	Title	Unconventional vortex dynamics in mesoscopic superconducting corbino disks			Type	A1 Journal article
	Year	2009	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	102	Issue	19	Pages	197003,1-197003,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The discrete shell structure of vortex matter strongly influences the flux dynamics in mesoscopic superconducting Corbino disks. While the dynamical behavior is well understood in large and in very small disks, in the intermediate-size regime it occurs to be much more complex and unusual, due to (in)commensurability between the vortex shells. We demonstrate unconventional vortex dynamics (inversion of shell velocities with respect to the gradient driving force) and angular melting (propagating from the boundary where the shear stress is minimum, towards the center) in mesoscopic Corbino disks.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000266207700063	Publication Date	2009-05-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	18	Open Access
	Notes				Approved	Most recent IF: 8.462; 2009 IF: 7.328
	Call Number	UA @ lucian @ c:irua:77396			Serial	3800
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	Author	Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M.
	Title	Unconventional vortex states in nanoscale superconductors due to shape-induced resonances in the inhomogeneous Cooper-pair condensate			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	10	Pages	107001
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Vortex matter in mesoscopic superconductors is known to be strongly affected by the geometry of the sample. Here we show that in nanoscale superconductors with coherence length comparable to the Fermi wavelength the shape resonances of the order parameter results in an additional contribution to the quantum topological confinement-leading to unconventional vortex configurations. Our Bogoliubov-de Gennes calculations in a square geometry reveal a plethora of asymmetric, giant multivortex, and vortex-antivortex structures, stable over a wide range of parameters and which are very different from those predicted by the Ginzburg-Landau theory. These unconventional states are relevant for high-T-c nanograins, confined Bose-Einstein condensates, and graphene flakes with proximity-induced superconductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000308295700014	Publication Date	2012-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	31	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:101850			Serial	3801
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	Author	Wu, Z.; Zhai, F.; Peeters, F.M.; Xu, H.Q.; Chang, K.
	Title	Valley-dependent brewster angles and Goos-Hänchen effect in strained graphene			Type	A1 Journal article
	Year	2011	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	106	Issue	17	Pages	176802,1-176802,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We demonstrate theoretically how local strains in graphene can be tailored to generate a valley-polarized current. By suitable engineering of local strain profiles, we find that electrons in opposite valleys (K or K′) show different Brewster-like angles and Goos-Hänchen shifts, exhibiting a close analogy with light propagating behavior. In a strain-induced waveguide, electrons in K and K′ valleys have different group velocities, which can be used to construct a valley filter in graphene without the need for any external fields.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000290100300016	Publication Date	2011-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	235	Open Access
	Notes	; This work was supported by the NSF of China and the MOST, the Swedish International Development Cooperation Agency (SIDA), and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 8.462; 2011 IF: 7.370
	Call Number	UA @ lucian @ c:irua:89715			Serial	3832
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	Author	Milošević, M.V.; Peeters, F.M.
	Title	Vortex-antivortex lattices in superconducting films with magnetic pinning arrays			Type	A1 Journal article
	Year	2004	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	93	Issue		Pages	267006,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000226054600058	Publication Date	2004-12-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	105	Open Access
	Notes				Approved	Most recent IF: 8.462; 2004 IF: 7.218
	Call Number	UA @ lucian @ c:irua:57242			Serial	3854
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	Author	Milošević, M.V.; Peeters, F.M.
	Title	Vortex-antivortex nucleation in magnetically nanotextured superconductors: magnetic-field-driven and thermal scenarios			Type	A1 Journal article
	Year	2005	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	94	Issue		Pages	227001,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000229700800059	Publication Date	2005-06-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	48	Open Access
	Notes				Approved	Most recent IF: 8.462; 2005 IF: 7.489
	Call Number	UA @ lucian @ c:irua:57243			Serial	3859
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	Author	Schweigert, V.A.; Peeters, F.M.; Deo, P.S.
	Title	Vortex phase diagram for mesoscopic superconducting disks			Type	A1 Journal article
	Year	1998	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	81	Issue		Pages	2783-2786
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000076133300041	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	327	Open Access
	Notes				Approved	Most recent IF: 8.462; 1998 IF: 6.017
	Call Number	UA @ lucian @ c:irua:24154			Serial	3879
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	Author	Martens, K.; Jeong, J.W.; Aetukuri, N.; Rettner, C.; Shukla, N.; Freeman, E.; Esfahani, D.N.; Peeters, F.M.; Topuria, T.; Rice, P.M.; Volodin, A.; Douhard, B.; Vandervorst, W.; Samant, M.G.; Datta, S.; Parkin, S.S.P.
	Title	Field Effect and Strongly Localized Carriers in the Metal-Insulator Transition Material VO(2)			Type	A1 Journal article
	Year	2015	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	115	Issue	115	Pages	196401
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The intrinsic field effect, the change in surface conductance with an applied transverse electric field, of prototypal strongly correlated VO(2) has remained elusive. Here we report its measurement enabled by epitaxial VO(2) and atomic layer deposited high-kappa dielectrics. Oxygen migration, joule heating, and the linked field-induced phase transition are precluded. The field effect can be understood in terms of field-induced carriers with densities up to approximately 5x10(13) cm(-2) which are trongly localized, as shown by their low, thermally activated mobility ( approximately 1x10(-3) cm(2)/V s at 300 K). These carriers show behavior consistent with that of Holstein polarons and strongly impact the (opto)electronics of VO(2).
	Address	IBM Research-Almaden, San Jose, California 95120, USA
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000364024800013	Publication Date	2015-11-05
	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	28	Open Access
	Notes	; The authors acknowledge B. Hughes, K. Roche, L. Gao, C. Lada, J. Van Houdt, M. Heyns, J. P. Locquet, J. Delmotte, L. Krupp, L. Clark, and FWO (K. M.). S. D. and N. S. acknowledge LEAST (Low Energy Systems Technology), one of six SRC STARnet Centers, sponsored by MARCO/DARPA, for financial support. ;			Approved	Most recent IF: 8.462; 2015 IF: 7.512
	Call Number	c:irua:129547			Serial	4051
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	Author	Ackerman, M.L.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M.; Singh, S.
	Title	Anomalous dynamical behavior of freestanding graphene membranes			Type	A1 Journal article
	Year	2016	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	117	Issue	117	Pages	126801
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We report subnanometer, high-bandwidth measurements of the out-of-plane (vertical) motion of atoms in freestanding graphene using scanning tunneling microscopy. By tracking the vertical position over a long time period, a 1000-fold increase in the ability to measure space-time dynamics of atomically thin membranes is achieved over the current state-of-the-art imaging technologies. We observe that the vertical motion of a graphene membrane exhibits rare long-scale excursions characterized by both anomalous mean-squared displacements and Cauchy-Lorentz power law jump distributions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000383171800010	Publication Date	2016-09-13
	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	46	Open Access
	Notes	; The authors thank Theodore L. Einstein, Michael F. Shlesinger, and Woodrow L. Shew for their careful reading of the manuscript and insightful comments. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. P. M. T. was supported by the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. M.N.-A. was supported by Iran Science Elites Federation (ISEF) under Grant No. 11/66332. ;			Approved	Most recent IF: 8.462
	Call Number	UA @ lucian @ c:irua:137125			Serial	4347
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	Author	Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D.
	Title	Multicomponent electron-hole superfluidity and the BCS-BEC crossover in double bilayer graphene			Type	A1 Journal article
	Year	2017	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	119	Issue	25	Pages	257002
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier densities and the tunable energy band gap Eg. For small band gaps there is a significant boost in the two superfluid gaps, but the interaction-driven excitations from the valence to the conduction band can weaken the superfluidity, even blocking the system from entering the Bose-Einstein condensate (BEC) regime at low densities. At a given larger density, a band gap E-g similar to 80-120 meV can carry the system into the strong-pairing multiband BCS-BEC crossover regime, the optimal range for realization of high-Tc superfluidity.'));
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000418619100017	Publication Date	2017-12-22
	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	18	Open Access
	Notes	; We thank Mohammad Zarenia for useful discussions. Part of this work was supported by FWO-VI (Flemish Science Foundation) and the Methusalem program. ;			Approved	Most recent IF: 8.462
	Call Number	UA @ lucian @ c:irua:148509			Serial	4885
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	Author	Zarenia, M.; Hamilton, A.R.; Peeters, F.M.; Neilson, D.
	Title	Multiband mechanism for the sign reversal of Coulomb drag observed in double bilayer graphene heterostructures			Type	A1 Journal article
	Year	2018	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	121	Issue	3	Pages	036601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Coupled 2D sheets of electrons and holes are predicted to support novel quantum phases. Two experiments of Coulomb drag in electron-hole (e-h) double bilayer graphene (DBLG) have reported an unexplained and puzzling sign reversal of the drag signal. However, we show that this effect is due to the multiband character of DBLG. Our multiband Fermi liquid theory produces excellent agreement and captures the key features of the experimental drag resistance for all temperatures. This demonstrates the importance of multiband effects in DBLG: they have a strong effect not only on superfluidity, but also on the drag.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000438883600008	Publication Date	2018-07-18
	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	7	Open Access
	Notes	; We are grateful to Cory Dean, Emanuel Tutuc, and their research groups for discussing details of their experiments with us. This work was partially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program of the Flemish government, and the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics Technologies (Project No. CE170100039). D. N. acknowledges support from the University of Camerino FAR project CESEMN. ;			Approved	Most recent IF: 8.462
	Call Number	UA @ lucian @ c:irua:152416UA @ admin @ c:irua:152416			Serial	5116
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	Author	Conti, S.; Perali, A.; Hamilton, A.R.; Milošević, M.V.; Peeters, F.M.; Neilson, D.
	Title	Chester supersolid of spatially indirect excitons in double-layer semiconductor heterostructures			Type	A1 Journal article
	Year	2023	Publication	Physical review letters	Abbreviated Journal
	Volume	130	Issue	5	Pages	057001-57006
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A supersolid, a counterintuitive quantum state in which a rigid lattice of particles flows without resistance, has to date not been unambiguously realized. Here we reveal a supersolid ground state of excitons in a double-layer semiconductor heterostructure over a wide range of layer separations outside the focus of recent experiments. This supersolid conforms to the original Chester supersolid with one exciton per supersolid site, as distinct from the alternative version reported in cold-atom systems of a periodic density modulation or clustering of the superfluid. We provide the phase diagram augmented by the supersolid. This new phase appears at layer separations much smaller than the predicted exciton normal solid, and it persists up to a solid-solid transition where the quantum phase coherence collapses. The ranges of layer separations and exciton densities in our phase diagram are well within reach of the current experimental capabilities.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000968650900001	Publication Date	2023-02-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007; 1079-7114	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.6	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 8.6; 2023 IF: 8.462
	Call Number	UA @ admin @ c:irua:196742			Serial	8817
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	Author	Berdiyorov, G.R.; Neek-Amal, M.; Hussein, I.A.; Madjet, M.E.; Peeters, F.M.
	Title	Large CO₂ uptake on a monolayer of CaO			Type	A1 Journal article
	Year	2017	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume	5	Issue	5	Pages	2110-2114
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong interaction with the CO2 molecules, this material possesses a remarkably high CO2 uptake capacity (similar to 0.4 g CO2 per g adsorbent). The CaO + CO2 system shows excellent thermal stability (up to 1000 K). Moreover, the material is highly selective towards CO2 against other major greenhouse gases such as CH4 and N2O. These advantages make this material a very promising candidate for CO2 capture and storage applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000395074300035	Publication Date	2016-12-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.867	Times cited	2	Open Access
	Notes	; ;			Approved	Most recent IF: 8.867
	Call Number	UA @ lucian @ c:irua:142034			Serial	4556
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	Author	Çakir, D.; Sevik, C.; Gulseren, O.; Peeters, F.M.
	Title	Mo2C as a high capacity anode material: a first-principles study			Type	A1 Journal article
	Year	2016	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume	4	Issue	16	Pages	6029-6035
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. However, the adsorption energies of these alkali and earth alkali elements decrease as the coverage increases due to the enhanced repulsion between the metal ions. We predict a significant charge transfer from the ad-atoms to the Mo2C monolayer, which indicates clearly the cationic state of the metal atoms. The metallic character of both pristine and doped Mo2C ensures a good electronic conduction that is essential for an optimal anode material. Low migration energy barriers are predicted as small as 43 meV for Li, 19 meV for Na and 15 meV for K, which result in the very fast diffusion of these atoms on Mo2C. For Mo2C, we found a storage capacity larger than 400 mA h g(-1) by the inclusion of multilayer adsorption. Mo2C expands slightly upon deposition of Li and Na even at high concentrations, which ensures the good cyclic stability of the atomic layer. The calculated average voltage of 0.68 V for Li and 0.30 V for Na ions makes Mo2C attractive for low charging voltage applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000374790700033	Publication Date	2016-03-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.867	Times cited	202	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C. S. acknowledges the support from Turkish Academy of Sciences (TUBA-GEBIP). C. S acknowledges the support from Anadolu University (Grant No. 1407F335). We acknowledge the support from TUBITAK, The Scientific and Technological Research Council of Turkey (Grant No. 115F024). ;			Approved	Most recent IF: 8.867
	Call Number	UA @ lucian @ c:irua:144763			Serial	4669
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	Author	Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D.
	Title	MXenes/graphene heterostructures for Li battery applications : a first principles study			Type	A1 Journal article
	Year	2018	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume	6	Issue	5	Pages	2337-2345
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000423981200049	Publication Date	2018-01-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.867	Times cited	131	Open Access
	Notes	; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ;			Approved	Most recent IF: 8.867
	Call Number	UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265			Serial	4945
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	Author	Demiroglu, I.; Peeters, F.M.; Gulseren, O.; Cakir, D.; Sevik, C.
	Title	Alkali metal intercalation in MXene/graphene heterostructures : a new platform for ion battery applications			Type	A1 Journal article
	Year	2019	Publication	The journal of physical chemistry letters	Abbreviated Journal	J Phys Chem Lett
	Volume	10	Issue	4	Pages	727-734
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)(2), Ti2CO2, and V2CO2 are systematically investigated by using first-principles methods. We found that alkali metal intercalation is energetically favorable and thermally stable for Ti2CO2/graphene and V2CO2/graphene heterostructures but not for Sc2C(OH)(2). Diffusion kinetics calculations showed the advantage of MXene/graphene heterostructures over sole MXene systems as the energy barriers are halved for the considered alkali metals. Low energy barriers are found for Na and K ions, which are promising for fast charge/discharge rates. Calculated voltage profiles reveal that estimated high capacities can be fully achieved for Na ion in V2CO2/graphene and Ti2CO2/graphene heterostructures. Our results indicate that Ti2CO2/graphene and V2CO2/graphene electrode materials are very promising for Na ion battery applications. The former could be exploited for low voltage applications while the latter will be more appropriate for higher voltages.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000459948800005	Publication Date	2019-01-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1948-7185	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.353	Times cited	67	Open Access
	Notes	; We acknowledge the support from the TUBITAK (116F080) and the BAGEP Award of the Science Academy. Part of this work was supported by the FLAG -ERA project TRANS-2D-TMD. A part of this work was supported by University of North Dakota Early Career Award (Grant number: 20622-4000-02624). We also acknowledge financial support from ND EPSCoR through NSF grant OIA-1355466. Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and Computational Research Center (HPC Linux cluster) at the University of North Dakota. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility, and supported by the U.S. Department of Energy, Office of Science, under contract no. DE-AC02-06CH11357. ;			Approved	Most recent IF: 9.353
	Call Number	UA @ admin @ c:irua:158618			Serial	5194
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	Author	Alihosseini, M.; Ghasemi, S.; Ahmadkhani, S.; Alidoosti, M.; Esfahani, D.N.; Peeters, F.M.; Neek-Amal, M.
	Title	Electronic properties of oxidized graphene : effects of strain and an electric field on flat bands and the energy gap			Type	A1 Journal article
	Year	2021	Publication	The journal of physical chemistry letters	Abbreviated Journal	J Phys Chem Lett
	Volume		Issue		Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	A multiscale modeling and simulation approach, including first-principles calculations, ab initio molecular dynamics simulations, and a tight binding approach, is employed to study band flattening of the electronic band structure of oxidized monolayer graphene. The width offlat bands can be tuned by strain, the external electric field, and the density of functional groups and their distribution. A transition to a conducting state is found for monolayer graphene with impurities when it is subjected to an electric field of similar to 1.0 V/angstrom. Several parallel impurity-induced flat bands appear in the low-energy spectrum of monolayer graphene when the number of epoxy groups is changed. The width of the flat band decreases with an increase in tensile strain but is independent of the electric field strength. Here an alternative and easy route for obtaining band flattening in thermodynamically stable functionalized monolayer graphene is introduced. Our work discloses a new avenue for research on band flattening in monolayer graphene.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000737988100001	Publication Date	2021-12-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1948-7185	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.353	Times cited	1	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 9.353
	Call Number	UA @ admin @ c:irua:184725			Serial	6987
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	Author	Gogoi, A.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M.
	Title	Arresting aqueous swelling of layered graphene-oxide membranes with H₃O⁺ and OH^- ions			Type	A1 Journal article
	Year	2022	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	14	Issue	30	Pages	34946-34954
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Over the past decade, graphene oxide (GO) has emerged as a promising membrane material with superior separation performance and intriguing mechanical/chemical stability. However, its practical implementation remains very challenging primarily because of its undesirable swelling in an aqueous environment. Here, we demonstrated that dissociation of water molecules into H3O+ and OH- ions inside the interlayer gallery of a layered GO membrane can strongly affect its stability and performance. We reveal that H3O+ and OH- ions form clusters inside the GO laminates that impede the permeance of water and salt ions through the membrane. Dynamics of those clusters is sensitive to an external ac electric field, which can be used to tailor the membrane performance. The presence of H3O+ and OH- ions also leads to increased stability of the hydrogen bond (H-bond) network among the water molecules and the GO layers, which further reduces water permeance through the membrane, while crucially imparting stability to the layered GO membrane against undesirable swelling. KEYWORDS: layered graphene-oxide membrane, aqueous stability, H3O+ and OH- ions, external electric field, molecular dynamics
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000835946500001	Publication Date	2022-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.5	Times cited	1	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 9.5
	Call Number	UA @ admin @ c:irua:189467			Serial	7127
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	Author	Wang, Y.-L.; Glatz, A.; Kimmel, G.J.; Aranson, I.S.; Thoutam, L.R.; Xiao, Z.-L.; Berdiyorov, G.R.; Peeters, F.M.; Crabtree, G.W.; Kwok, W.-K.
	Title	Parallel magnetic field suppresses dissipation in superconducting nanostrips			Type	A1 Journal article
	Year	2017	Publication	America	Abbreviated Journal	P Natl Acad Sci Usa
	Volume	114	Issue	48	Pages	E10274-E10280
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('The motion of Abrikosov vortices in type-II superconductors results in a finite resistance in the presence of an applied electric current. Elimination or reduction of the resistance via immobilization of vortices is the \u0022holy grail\u0022 of superconductivity research. Common wisdom dictates that an increase in the magnetic field escalates the loss of energy since the number of vortices increases. Here we show that this is no longer true if the magnetic field and the current are applied parallel to each other. Our experimental studies on the resistive behavior of a superconducting Mo0.79Ge0.21 nanostrip reveal the emergence of a dissipative state with increasing magnetic field, followed by a pronounced resistance drop, signifying a reentrance to the superconducting state. Large-scale simulations of the 3D time-dependent Ginzburg-Landau model indicate that the intermediate resistive state is due to an unwinding of twisted vortices. When the magnetic field increases, this instability is suppressed due to a better accommodation of the vortex lattice to the pinning configuration. Our findings show that magnetic field and geometrical confinement can suppress the dissipation induced by vortex motion and thus radically improve the performance of superconducting materials.'));
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000416891600007	Publication Date	2017-11-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0027-8424; 1091-6490	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.661	Times cited	18	Open Access
	Notes	; This work was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. The simulation was supported by the Scientific Discovery through Advanced Computing program funded by US DOE, Office of Science, Advanced Scientific Computing Research and Basic Energy Science, Division of Materials Science and Engineering. L.R.T. and Z.-L.X. acknowledge support through National Science Foundation Grant DMR-1407175. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the DOE, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. ;			Approved	Most recent IF: 9.661
	Call Number	UA @ lucian @ c:irua:147697			Serial	4889
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	Author	Andelkovic, M.; Milovanović, S.P.; Covaci, L.; Peeters, F.M.
	Title	Double moiré with a twist : supermoiré in encapsulated graphene			Type	A1 Journal article
	Year	2020	Publication	Nano Letters	Abbreviated Journal	Nano Lett
	Volume	20	Issue	2	Pages	979
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	A periodic spatial modulation, as created by a moire pattern, has been extensively studied with the view to engineer and tune the properties of graphene. Graphene encapsulated by hexagonal boron nitride (hBN) when slightly misaligned with the top and bottom hBN layers experiences two interfering moire patterns, resulting in a so-called supermoire (SM). This leads to a lattice and electronic spectrum reconstruction. A geometrical construction of the nonrelaxed SM patterns allows us to indicate qualitatively the induced changes in the electronic properties and to locate the SM features in the density of states and in the conductivity. To emphasize the effect of lattice relaxation, we report band gaps at all Dirac-like points in the hole doped part of the reconstructed spectrum, which are expected to be enhanced when including interaction effects. Our result is able to distinguish effects due to lattice relaxation and due to the interfering SM and provides a clear picture on the origin of recently experimentally observed effects in such trilayer heterostuctures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000514255400021	Publication Date	2020-01-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.8	Times cited	33	Open Access	OpenAccess
	Notes	; This work was funded by FLAGERA project TRANS2DTMD and the Flemish Science Foundation (FWO-Vl) through a postdoc fellowship for S.P.M. The authors acknowledge useful discussions with W. Zihao and K. Novoselov. ;			Approved	Most recent IF: 10.8; 2020 IF: 12.712
	Call Number	UA @ admin @ c:irua:168685			Serial	6490
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	Author	Wang, H.; Su, L.; Yagmurcukardes, M.; Chen, J.; Jiang, Y.; Li, Z.; Quan, A.; Peeters, F.M.; Wang, C.; Geim, A.K.; Hu, S.
	Title	Blue energy conversion from holey-graphene-like membranes with a high density of subnanometer pores			Type	A1 Journal article
	Year	2020	Publication	Nano Letters	Abbreviated Journal	Nano Lett
	Volume	20	Issue	12	Pages	8634-8639
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Blue energy converts the chemical potential difference from salinity gradients into electricity via reverse electrodialysis and provides a renewable source of clean energy. To achieve high energy conversion efficiency and power density, nanoporous membrane materials with both high ionic conductivity and ion selectivity are required. Here, we report ion transport through a network of holey-graphene-like sheets made by bottom-up polymerization. The resulting ultrathin membranes provide controlled pores of <10 angstrom in diameter with an estimated density of about 10(12) cm(-2). The pores' interior contains NH2 groups that become electrically charged with varying pH and allow tunable ion selectivity. Using the holey-graphene-like membranes, we demonstrate power outputs reaching hundreds of watts per square meter. The work shows a viable route toward creating membranes with high-density angstrom-scale pores, which can be used for energy generation, ion separation, and related technologies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000599507100032	Publication Date	2020-11-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.8	Times cited	29	Open Access
	Notes	; The authors acknowledge supported from National Key Research and Development Program of China (2019YFA0705400, 2018YFA0209500), and National Natural Science Foundation of China (21972121, 21671162). M. Y. acknowledges the Flemish Science Foundation (FWO-Vl) postdoctoral fellowship. ;			Approved	Most recent IF: 10.8; 2020 IF: 12.712
	Call Number	UA @ admin @ c:irua:175048			Serial	6685
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	Author	Achari, A.; Bekaert, J.; Sreepal, V.; Orekhov, A.; Kumaravadivel, P.; Kim, M.; Gauquelin, N.; Pillai, P.B.; Verbeeck, J.; Peeters, F.M.; Geim, A.K.; Milošević, M.V.; Nair, R.R.
	Title	Alternating superconducting and charge density wave monolayers within bulk 6R-TaS₂			Type	A1 Journal article
	Year	2022	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	22	Issue	15	Pages	6268-6275
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Van der Waals (vdW) heterostructures continue to attract intense interest as a route of designing materials with novel properties that cannot be found in nature. Unfortunately, this approach is currently limited to only a few layers that can be stacked on top of each other. Here, we report a bulk vdW material consisting of superconducting 1H TaS2 monolayers interlayered with 1T TaS2 monolayers displaying charge density waves (CDW). This bulk vdW heterostructure is created by phase transition of 1T-TaS2 to 6R at 800 degrees C in an inert atmosphere. Its superconducting transition (T-c) is found at 2.6 K, exceeding the T-c of the bulk 2H phase. Using first-principles calculations, we argue that the coexistence of superconductivity and CDW within 6R-TaS2 stems from amalgamation of the properties of adjacent 1H and 1T monolayers, where the former dominates the superconducting state and the latter the CDW behavior.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000831832100001	Publication Date	2022-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.8	Times cited	8	Open Access	OpenAccess
	Notes	This work was supported by the Royal Society, the Leverhulme Trust (PLP-2018-220), the Engineering and Physical Sciences Research Council (EP/N005082/1), and European Research Council (contract 679689). The authors acknowledge the use of the facilities at the Henry Royce Institute and associated support services. J.B. is a postdoctoral fellow of Research Foundation-Flanders (FWO-Vlaanderen). Computational resources were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Governmentdepartment EWI. This work was also performed under a transnational access provision funded by the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717 − ESTEEM3; esteem3reported; esteem3jra			Approved	Most recent IF: 10.8
	Call Number	UA @ admin @ c:irua:189495			Serial	7077
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	Author	Cai, J.; Griffin, E.; Guarochico-Moreira, V.; Barry, D.; Xin, B.; Huang, S.; Geim, A.K.; Peeters, F.M.; Lozada-Hidalgo, M.
	Title	Photoaccelerated water dissociation across one-atom-thick electrodes			Type	A1 Journal article
	Year	2022	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	22	Issue	23	Pages	9566-9570
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Recent experiments demonstrated that interfacial water dissociation (H2O ⇆ H+ + OH-) could be accelerated exponentially by an electric field applied to graphene electrodes, a phenomenon related to the Wien effect. Here we report an order-of-magnitude acceleration of the interfacial water dissociation reaction under visible-light illumination. This process is accompanied by spatial separation of protons and hydroxide ions across one-atom-thick graphene and enhanced by strong interfacial electric fields. The found photoeffect is attributed to the combination of graphene's perfect selectivity with respect to protons, which prevents proton-hydroxide recombination, and to proton transport acceleration by the Wien effect, which occurs in synchrony with the water dissociation reaction. Our findings provide fundamental insights into ion dynamics near atomically thin proton-selective interfaces and suggest that strong interfacial fields can enhance and tune very fast ionic processes, which is of relevance for applications in photocatalysis and designing reconfigurable materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000892112200001	Publication Date	2022-11-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.8	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 10.8
	Call Number	UA @ admin @ c:irua:192759			Serial	7330
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	Author	Chen, X.; Bouhon, A.; Li, L.; Peeters, F.M.; Sanyal, B.
	Title	PAI-graphene : a new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones			Type	A1 Journal article
	Year	2020	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	170	Issue		Pages	477-486
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using evolutionary algorithm for crystal structure prediction, we present a new stable two-dimensional (2D) carbon allotrope composed of polymerized as-indacenes (PAI) in a zigzag pattern, namely PAI-graphene whose energy is lower than most of the reported 2D allotropes of graphene. Crucially, the crystal structure realizes a nonsymmorphic layer group that enforces a nontrivial global topology of the band structure with two Dirac cones lying perfectly at the Fermi level. The absence of electron/hole pockets makes PAI-graphene a pristine crystalline topological semimetal having anisotropic Fermi velocities with a high value of 7.0 x 10(5) m/s. We show that while the semimetallic property of the allotrope is robust against the application of strain, the positions of the Dirac cone and the Fermi velocities can be modified significantly with strain. Moreover, by combining strain along both the x- and y-directions, two band inversions take place at G leading to the annihilation of the Dirac nodes demonstrating the possibility of strain-controlled conversion of a topological semimetal into a semiconductor. Finally we formulate the bulk-boundary correspondence of the topological nodal phase in the form of a generalized Zak-phase argument finding a perfect agreement with the topological edge states computed for different edge-terminations. (C) 2020 The Author(s). Published by Elsevier Ltd.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000579779800047	Publication Date	2020-08-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.9	Times cited	27	Open Access
	Notes	; We thank S. Nahas, for helpful discussions. This work is supported by the project grant (2016e05366) and Swedish Research Links program grant (2017e05447) from the Swedish Research Council, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), the FLAG-ERA project TRANS 2D TMD. Linyang Li acknowledges financial support from the Natural Science Foundation of Hebei Province (Grant No. A2020202031). X.C. thanks China scholarship council for financial support (No. 201606220031). X.C. and B.S. acknowledge SNIC-UPPMAX, SNIC-HPC2N, and SNIC-NSC centers under the Swedish National Infrastructure for Computing (SNIC) resources for the allocation of time in high-performance supercomputers. Moreover, supercomputing resources from PRACE DECI-15 project DYNAMAT are gratefully acknowledged. ;			Approved	Most recent IF: 10.9; 2020 IF: 6.337
	Call Number	UA @ admin @ c:irua:173513			Serial	6577
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	Author	Mirzakhani, M.; Myoung, N.; Peeters, F.M.; Park, H.C.
	Title	Electronic Mach-Zehnder interference in a bipolar hybrid monolayer-bilayer graphene junction			Type	A1 Journal article
	Year	2023	Publication	Carbon	Abbreviated Journal
	Volume	201	Issue		Pages	734-744
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Graphene matter in a strong magnetic field, realizing one-dimensional quantum Hall channels, provides a unique platform for studying electron interference. Here, using the Landauer-Buttiker formalism along with the tightbinding model, we investigate the quantum Hall (QH) effects in unipolar and bipolar monolayer-bilayer graphene (MLG-BLG) junctions. We find that a Hall bar made of an armchair MLG-BLG junction in the bipolar regime results in valley-polarized edgechannel interferences and can operate a fully tunable Mach-Zehnder (MZ) interferometer device. Investigation of the bar-width and magnetic-field dependence of the conductance oscillations shows that the MZ interference in such structures can be drastically affected by the type of (zigzag) edge termination of the second layer in the BLG region [composed of vertical dimer or non-dimer atoms]. Our findings reveal that both interfaces exhibit a double set of Aharonov-Bohm interferences, with the one between two oppositely valley-polarized edge channels dominating and causing a large amplitude conductance oscillation ranging from 0 to 2e2/h. We explain and analyze our findings by analytically solving the Dirac-Weyl equation for a gated semi-infinite MLG-BLG junction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000868911500004	Publication Date	2022-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	10.9	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 10.9; 2023 IF: 6.337
	Call Number	UA @ admin @ c:irua:191516			Serial	7302
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	Author	Tongay, S.; Sahin, H.; Ko, C.; Luce, A.; Fan, W.; Liu, K.; Zhou, J.; Huang, Y.S.; Ho, C.H.; Yan, J.; Ogletree, D.F.; Aloni, S.; Ji, J.; Li, S.; Li, J.; Peeters, F.M.; Wu, J.;
	Title	Monolayer behaviour in bulk ReS₂ due to electronic and vibrational decoupling			Type	A1 Journal article
	Year	2014	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	5	Issue		Pages	3252
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Semiconducting transition metal dichalcogenides consist of monolayers held together by weak forces where the layers are electronically and vibrationally coupled. Isolated monolayers show changes in electronic structure and lattice vibration energies, including a transition from indirect to direct bandgap. Here we present a new member of the family, rhenium disulphide (ReS2), where such variation is absent and bulk behaves as electronically and vibrationally decoupled monolayers stacked together. From bulk to monolayers, ReS2 remains direct bandgap and its Raman spectrum shows no dependence on the number of layers. Interlayer decoupling is further demonstrated by the insensitivity of the optical absorption and Raman spectrum to interlayer distance modulated by hydrostatic pressure. Theoretical calculations attribute the decoupling to Peierls distortion of the 1T structure of ReS2, which prevents ordered stacking and minimizes the interlayer overlap of wavefunctions. Such vanishing interlayer coupling enables probing of two-dimensional-like systems without the need for monolayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000332666700010	Publication Date	2014-02-06
	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	806	Open Access
	Notes	; This work was supported by the United States Department of Energy Early Career Award DE-FG02-11ER46796. The high pressure part of this work was supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences, under National Science Foundation Cooperative Agreement EAR 11-577758. The electron microscopy and nano-Auger measurements were supported by the user programme at the Molecular Foundry, which was supported by the Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under contract no. DE-AC02-05CH11231. S. A. gratefully acknowledges Dr Virginia Altoe of the Molecular Foundry for help with the TEM data acquisition and analysis. J.L. acknowledges support from the Natural Science Foundation of China for Distinguished Young Scholar (grant nos. 60925016 and 91233120). Y.-S.H. and C.-H. H. acknowledge support from the National Science Council of Taiwan under project nos. NSC 100-2112-M-011-001-MY3 and NSC 101-2221-E-011-052-MY3. H. S. was supported by the FWO Pegasus Marie Curie Long Fellowship programme. The DFT work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Centre. ;			Approved	Most recent IF: 12.124; 2014 IF: 11.470
	Call Number	UA @ lucian @ c:irua:119247			Serial	2192
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	Author	Neek-Amal, M.; Xu, P.; Schoelz, J.K.; Ackerman, M.L.; Barber, S.D.; Thibado, P.M.; Sadeghi, A.; Peeters, F.M.
	Title	Thermal mirror buckling in freestanding graphene locally controlled by scanning tunnelling microscopy			Type	A1 Journal article
	Year	2014	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	5	Issue		Pages	4962
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Knowledge of and control over the curvature of ripples in freestanding graphene are desirable for fabricating and designing flexible electronic devices, and recent progress in these pursuits has been achieved using several advanced techniques such as scanning tunnelling microscopy. The electrostatic forces induced through a bias voltage (or gate voltage) were used to manipulate the interaction of freestanding graphene with a tip (substrate). Such forces can cause large movements and sudden changes in curvature through mirror buckling. Here we explore an alternative mechanism, thermal load, to control the curvature of graphene. We demonstrate thermal mirror buckling of graphene by scanning tunnelling microscopy and large-scale molecular dynamic simulations. The negative thermal expansion coefficient of graphene is an essential ingredient in explaining the observed effects. This new control mechanism represents a fundamental advance in understanding the influence of temperature gradients on the dynamics of freestanding graphene and future applications with electro-thermal-mechanical nanodevices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000342984800018	Publication Date	2014-09-17
	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	36	Open Access
	Notes	; Financial support for this study was provided, in part, by the Office of Naval Research under grant N00014-10-1-0181, the National Science Foundation under grant DMR-0855358, the EU-Marie Curie IIF postdoc Fellowship/299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. has also been supported partially by BOF project of University of Antwerp number 28033. ;			Approved	Most recent IF: 12.124; 2014 IF: 11.470
	Call Number	UA @ lucian @ c:irua:121121			Serial	3628
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	Author	Xu, P.; Neek-Amal, M.; Barber, S.D.; Schoelz, J.K.; Ackerman, M.L.; Thibado, P.M.; Sadeghi, A.; Peeters, F.M.
	Title	Unusual ultra-low-frequency fluctuations in freestanding graphene			Type	A1 Journal article
	Year	2014	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	5	Issue		Pages	3720
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Intrinsic ripples in freestanding graphene have been exceedingly difficult to study. Individual ripple geometry was recently imaged using scanning tunnelling microscopy, but these measurements are limited to static configurations. Thermally-activated flexural phonon modes should generate dynamic changes in curvature. Here we show how to track the vertical movement of a one-square-angstrom region of freestanding graphene using scanning tunnelling microscopy, thereby allowing measurement of the out-of-plane time trajectory and fluctuations over long time periods. We also present a model from elasticity theory to explain the very-low-frequency oscillations. Unexpectedly, we sometimes detect a sudden colossal jump, which we interpret as due to mirror buckling. This innovative technique provides a much needed atomic-scale probe for the time-dependent behaviours of intrinsic ripples. The discovery of this novel progenitor represents a fundamental advance in the use of scanning tunnelling microscopy, which together with the application of a thermal load provides a low-frequency nano-resonator.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000335223200007	Publication Date	2014-04-28
	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	62	Open Access
	Notes	; This work was financially supported, in part, by the Office of Naval Research under grant N00014-10-1-0181, the National Science Foundation under grant DMR-0855358, the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF-Euro-GRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ;			Approved	Most recent IF: 12.124; 2014 IF: 11.470
	Call Number	UA @ lucian @ c:irua:117201			Serial	3819
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	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.
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	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
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	Author	Wu, K.; Torun, E.; Sahin, H.; Chen, B.; Fan, X.; Pant, A.; Wright, D.P.; Aoki, T.; Peeters, F.M.; Soignard, E.; Tongay, S.
	Title	Unusual lattice vibration characteristics in whiskers of the pseudo-one-dimensional titanium trisulfide TiS3			Type	A1 Journal article
	Year	2016	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	7	Issue		Pages	12952
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Transition metal trichalcogenides form a class of layered materials with strong in-plane anisotropy. For example, titanium trisulfide (TiS3) whiskers are made out of weakly interacting TiS3 layers, where each layer is made of weakly interacting quasi-one-dimensional chains extending along the b axis. Here we establish the unusual vibrational properties of TiS3 both experimentally and theoretically. Unlike other two-dimensional systems, the Raman active peaks of TiS3 have only out-of-plane vibrational modes, and interestingly some of these vibrations involve unique rigid-chain vibrations and S-S molecular oscillations. High-pressure Raman studies further reveal that the A(g)(S-S) S-S molecular mode has an unconventional negative pressure dependence, whereas other peaks stiffen as anticipated. Various vibrational modes are doubly degenerate at ambient pressure, but the degeneracy is lifted at high pressures. These results establish the unusual vibrational properties of TiS3 with strong in-plane anisotropy, and may have relevance to understanding of vibrational properties in other anisotropic two-dimensional material systems.
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	Publisher		Place of Publication		Editor
	Language		Wos	000385444300004	Publication Date	2016-09-22
	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	50	Open Access
	Notes	; S.T. acknowledges support from the National Science Foundation (DMR-1552220) and (CMMI-1561839). F.M.P., H.S. and E.T. were supported by the Flemish Science Foundation (FWO-Vl). Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e Infrastructure). H.S. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP programme. F.P. acknowledges the funding from Flemish Science Foundation (FWO-Vl). K.W. acknowledges helpful discussions with H. Cai, W. Kong and X. Meng. We gratefully acknowledge the use of facilities within the LeRoy Eyring Center for Solid State Science at Arizona State University. ;			Approved	Most recent IF: 12.124
	Call Number	UA @ lucian @ c:irua:144662			Serial	4700
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