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Author Juneja, R.; Thebaud, S.; Pandey, T.; Polanco, C.A.; Moseley, D.H.; Manley, M.E.; Cheng, Y.Q.; Winn, B.; Abernathy, D.L.; Hermann, R.P.; Lindsay, L. url  doi
openurl 
  Title Quasiparticle twist dynamics in non-symmorphic materials Type A1 Journal article
  Year 2021 Publication (up) Materials Today Physics Abbreviated Journal  
  Volume 21 Issue Pages 100548  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a 'twist' dynamical description of quasiparticles (including phonons and Bloch electrons) in nonsymmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasi particle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications. (C) 2021 Published by Elsevier Ltd.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000708226400009 Publication Date 2021-09-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2542-5293 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:184040 Serial 7016  
Permanent link to this record
 

 
Author Pandey, T.; Du, M.-H.; Parker, D.S.; Lindsay, L. pdf  doi
openurl 
  Title Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites Type A1 Journal article
  Year 2022 Publication (up) Materials Today Physics Abbreviated Journal  
  Volume 28 Issue Pages 100881-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelec-tronic materials, properties that are missing in their prominent lead-containing counterparts. Their large ther-mopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs2SnI6 and gamma-CsSnI3, two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (kappa l) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated kappa l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to kappa l, arising from wave like phonon tunneling, are important in both compounds. Overall, calculated kappa l with temperature-dependent inter-atomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow kappa l values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs2SnI6 and gamma-CsSnI3, respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000876484300002 Publication Date 2022-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2542-5293 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.5 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 11.5  
  Call Number UA @ admin @ c:irua:192139 Serial 7329  
Permanent link to this record
 

 
Author Li, H.; Pandey, T.; Jiang, Y.; Gu, X.; Lindsay, L.; Koh, Y.K. pdf  doi
openurl 
  Title Origins of heat transport anisotropy in MoTe₂ and other bulk van der Waals materials Type A1 Journal article
  Year 2023 Publication (up) Materials Today Physics Abbreviated Journal  
  Volume 37 Issue Pages 101196-101198  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Knowledge of how heat flows anisotropically in van der Waals (vdW) materials is crucial for thermal management of emerging 2D materials devices and design of novel anisotropic thermoelectric materials. Despite the importance, anisotropic heat transport in vdW materials is yet to be systematically studied and is often presumably attributed to anisotropic speeds of sound in vdW materials due to soft interlayer bonding relative to covalent in-plane networks of atoms. In this work, we investigate the origins of the anisotropic heat transport in vdW materials, through time-domain thermoreflectance (TDTR) measurements and first-principles calculations of anisotropic thermal conductivity of three different phases of MoTe2. MoTe2 is ideal for the study due to its weak anisotropy in the speeds of sound. We find that even when the speeds of sound are roughly isotropic, the measured thermal conductivity of MoTe2 along the c-axis is 5-8 times lower than that along the in-plane axes. We derive meaningful characteristic heat capacity, phonon group velocity, and relaxation times from our first principles calculations for selected vdW materials (MoTe2, BP, h-BN, and MoS2), to assess the contributions of these factors to the anisotropic heat transport. Interestingly, we find that the main contributor to the heat transport anisotropy in vdW materials is anisotropy in heat capacity of the dominant heat-carrying phonon modes in different directions, which originates from anisotropic optical phonon dispersion and disparity in the frequency of heat-carrying phonons in different directions. The discrepancy in frequency of the heat-carrying phonons also leads to similar to 2 times larger average relaxation times in the cross-plane direction, and partially explains the apparent dependence of the anisotropic heat transport on the anisotropic speeds of sound. This work provides insight into understanding of the anisotropic heat transport in vdW materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001093005700001 Publication Date 2023-08-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2542-5293 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:201295 Serial 9070  
Permanent link to this record
 

 
Author de Backer, J.W.; Vos, W.G.; Gorlé, C.D.; Germonpré, P.; Partoens, B.; Wuyts, F.L.; Parizel, P.M.; de Backer, W. doi  openurl
  Title Flow analyses in the lower airways: patient-specific model and boundary conditions Type A1 Journal article
  Year 2008 Publication (up) Medical engineering and physics Abbreviated Journal Med Eng Phys  
  Volume 30 Issue 7 Pages 872-879  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract Computational fluid dynamics (CFD) is increasingly applied in the respiratory domain. The ability to simulate the flow through a bifurcating tubular system has increased the insight into the internal flow dynamics and the particular characteristics of respiratory flows such as secondary motions and inertial effects. The next step in the evolution is to apply the technique to patient-specific cases, in order to provide more information about pathological airways. This study presents a patient-specific approach where both the geometry and the boundary conditions (BC) are based on individual imaging methods using computed tomography (CT). The internal flow distribution of a 73-year-old female suffering from chronic obstructive pulmonary disease (COPD) is assessed. The validation is performed through the comparison of lung ventilation with gamma scintigraphy. The results show that in order to obtain agreement within the accuracy limits of the gamma scintigraphy scan, both the patient-specific geometry and the BC (driving pressure) play a crucial role. A minimal invasive test (CT scan) supplied enough information to perform an accurate CFD analysis. In the end it was possible to capture the pathological features of the respiratory system using the imaging and computational fluid dynamics techniques. This brings the introduction of this new technique in the clinical practice one step closer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000259768300009 Publication Date 2007-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1350-4533; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.819 Times cited 82 Open Access  
  Notes Approved Most recent IF: 1.819; 2008 IF: 2.216  
  Call Number UA @ lucian @ c:irua:71693 Serial 1224  
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Author Lujan, G.S.; Magnus, W.; Sorée, B.; Ragnarsson, L.A.; Trojman, L.; Kubicek, S.; De Gendt, S.; Heyns, A.; De Meyer, K. pdf  doi
openurl 
  Title Barrier permeation effects on the inversion layer subband structure and its applications to the electron mobility Type A1 Journal article
  Year 2005 Publication (up) Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 80 Issue Pages 82-85  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The electron wave functions in the inversion layer are analyzed in the case where the dielectric barriers are not infinite. This forces the electron concentration closer to the interface silicon/oxide and reduces the subband energy. This treatment of the inversion layer is extended to the calculation of the electron mobility degradation due to remote Coulomb scattering on a high-k dielectric stacked transistor. The subband energy reduction leads to a decrease of the scattering charge needed to explain the experimental results. This model can also fit better the experimental data when compared with the case where no barrier permeation is considered.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000231517000021 Publication Date 2005-06-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.806; 2005 IF: 1.347  
  Call Number UA @ lucian @ c:irua:102729 Serial 222  
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Author Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. pdf  doi
openurl 
  Title First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts Type A1 Journal article
  Year 2005 Publication (up) Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 80 Issue Pages 272-279  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The impact of interfacial chemistry occurring at dielectric/gate interface of P-MOS and N-MOS devices is reviewed through a quick literature survey. A specific emphasis is put on the way the bond polarization that occurs between a dielectric and a metal substrate impacts on the gate work function. First-principle simulations are then used to study the work function changes induced by dopant aggregation in nickel monosilicide metal gates. It is shown that the changes are a natural consequence of the variation of the interface polarization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000231517000062 Publication Date 2005-06-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 31 Open Access  
  Notes Approved Most recent IF: 1.806; 2005 IF: 1.347  
  Call Number UA @ lucian @ c:irua:95095 Serial 1199  
Permanent link to this record
 

 
Author Peeters, F.M.; Schweigert, V.A.; Deo, P.S. doi  openurl
  Title Mesoscopic superconducting disks: fluxoids in a box Type A1 Journal article
  Year 1999 Publication (up) Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 47 Issue Pages 393-395  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000081403600093 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.806; 1999 IF: 0.815  
  Call Number UA @ lucian @ c:irua:27028 Serial 2002  
Permanent link to this record
 

 
Author Peeters, F.M.; Reijniers, J.; Badalian, S.M.; Vasilopoulos, P. doi  openurl
  Title Snake orbits in hybrid semiconductor/ferromagnetic devices Type A1 Journal article
  Year 1999 Publication (up) Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 47 Issue Pages 405-407  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000081403600096 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 6 Open Access  
  Notes Approved Most recent IF: 1.806; 1999 IF: 0.815  
  Call Number UA @ lucian @ c:irua:27030 Serial 3046  
Permanent link to this record
 

 
Author Pathangi, H.; Cherman, V.; Khaled, A.; Sorée, B.; Groeseneken, G.; Witvrouw, A. doi  openurl
  Title Towards CMOS-compatible single-walled carbon nanotube resonators Type A1 Journal article
  Year 2013 Publication (up) Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 107 Issue Pages 219-222  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We report a totally CMOS-compatible fabrication technique to assemble horizontally suspended single-walled carbon nanotube (SWCNT) resonators. Individual SWCNTs are assembled in parallel at multiple sites by a technique called dielectrophoresis. The mechanical resonance frequencies of the suspended SWCNTs are in the range of 2035 MHz as determined from the piezoresistive response of the resonators during electrostatic actuation. The resistance of the suspended SWCNT either remains unchanged or increases or decreases significantly as a function of the actuation frequency. This can be explained by the effect the nanotube chirality has on the piezoresistive gauge factor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000319855800040 Publication Date 2012-07-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 6 Open Access  
  Notes ; ; Approved Most recent IF: 1.806; 2013 IF: 1.338  
  Call Number UA @ lucian @ c:irua:109260 Serial 3685  
Permanent link to this record
 

 
Author Moors, K.; Sorée, B.; Magnus, W. doi  openurl
  Title Resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering Type A1 Journal article
  Year 2017 Publication (up) Microelectronic engineering Abbreviated Journal Microelectron Eng  
  Volume 167 Issue 167 Pages 37-41  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract A modeling approach, based on an analytical solution of the semiclassical multi-subband Boltzmann transport equation, is presented to study resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering. While taking into account the detailed statistical properties of grains, roughness and barrier material as well as the metallic band structure and quantum mechanical aspects of scattering and confinement, the model does not rely on phenomenological fitting parameters. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000390746000008 Publication Date 2016-10-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-9317 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.806 Times cited 6 Open Access  
  Notes ; ; Approved Most recent IF: 1.806  
  Call Number UA @ lucian @ c:irua:140354 Serial 4460  
Permanent link to this record
 

 
Author Leenaerts, O.; Partoens, B.; Peeters, F.M. doi  openurl
  Title Adsorption of small molecules on graphene Type A1 Journal article
  Year 2009 Publication (up) Microelectronics journal Abbreviated Journal Microelectron J  
  Volume 40 Issue 4/5 Pages 860-862  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000265870200058 Publication Date 2008-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 116 Open Access  
  Notes Approved Most recent IF: 1.163; 2009 IF: 0.778  
  Call Number UA @ lucian @ c:irua:77030 Serial 65  
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Author Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W. pdf  doi
openurl 
  Title Dielectric mismatch effect on coupled impurity states in a freestanding nanowire Type A1 Journal article
  Year 2009 Publication (up) Microelectronics journal Abbreviated Journal Microelectron J  
  Volume 40 Issue 3 Pages 446-448  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000264694700017 Publication Date 2008-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 4 Open Access  
  Notes Approved Most recent IF: 1.163; 2009 IF: 0.778  
  Call Number UA @ lucian @ c:irua:76410 Serial 690  
Permanent link to this record
 

 
Author Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. doi  openurl
  Title Neutral shallow donors near a metallic interface Type A1 Journal article
  Year 2009 Publication (up) Microelectronics journal Abbreviated Journal Microelectron J  
  Volume 40 Issue 4/5 Pages 753-755  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of a metallic gate on the bound states of a shallow donor located near the gate is studied. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anti-crossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000265870200024 Publication Date 2009-02-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.163; 2009 IF: 0.778  
  Call Number UA @ lucian @ c:irua:77029 Serial 2296  
Permanent link to this record
 

 
Author Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M. doi  openurl
  Title Resonant tunneling in graphene microstructures Type A1 Journal article
  Year 2008 Publication (up) Microelectronics journal Abbreviated Journal Microelectron J  
  Volume 39 Issue 3-4 Pages 534-536  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000255600600055 Publication Date 2007-08-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 9 Open Access  
  Notes Approved Most recent IF: 1.163; 2008 IF: 0.859  
  Call Number UA @ lucian @ c:irua:68850 Serial 2892  
Permanent link to this record
 

 
Author Mlinar, V.; Peeters, F.M. doi  openurl
  Title Theoretical study of InAs/GaAs quantum dots grown on [11k] substrates in the presence of a magnetic field Type A1 Journal article
  Year 2006 Publication (up) Microelectronics journal Abbreviated Journal Microelectron J  
  Volume 37 Issue 12 Pages 1427-1429  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000242907400002 Publication Date 2006-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.163 Times cited Open Access  
  Notes Approved Most recent IF: 1.163; 2006 IF: 0.651  
  Call Number UA @ lucian @ c:irua:62325 Serial 3612  
Permanent link to this record
 

 
Author Mlinar, V.; Peeters, F.M. doi  openurl
  Title Tuning of the optical properties of (11k) grown InAs quantum dots by the capping layer Type A1 Journal article
  Year 2008 Publication (up) Microelectronics journal Abbreviated Journal Microelectron J  
  Volume 39 Issue 3-4 Pages 359-361  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000255600600013 Publication Date 2007-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.163 Times cited Open Access  
  Notes Approved Most recent IF: 1.163; 2008 IF: 0.859  
  Call Number UA @ lucian @ c:irua:68849 Serial 3753  
Permanent link to this record
 

 
Author Janssens, K.L.; Partoens, B.; Peeters, F.M. doi  openurl
  Title Type II quantum dots in magnetic fields: excitonic behaviour Type A1 Journal article
  Year 2003 Publication (up) Microelectronics journal Abbreviated Journal Microelectron J  
  Volume 34 Issue Pages 347-350  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000183607400007 Publication Date 2003-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.163 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.163; 2003 IF: 0.565  
  Call Number UA @ lucian @ c:irua:62450 Serial 3790  
Permanent link to this record
 

 
Author Bals, S.; Kisielowski, C.; Croitoru, M.; Van Tendeloo, G. openurl 
  Title Tomography using annular dark field imaging in TEM Type A3 Journal article
  Year 2005 Publication (up) Microscopy and microanalysis Abbreviated Journal  
  Volume 11 Issue S Pages 2118-2119  
  Keywords A3 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:54880 Serial 3672  
Permanent link to this record
 

 
Author van Dyck, D.; Van Aert, S.; Croitoru, M.D. openurl 
  Title Obstacles on the road towards atomic resolution tomography Type A3 Journal article
  Year 2005 Publication (up) Microscoy and microanalysis Abbreviated Journal  
  Volume 11 Issue S2 Pages 238-239  
  Keywords A3 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:57129 Serial 2426  
Permanent link to this record
 

 
Author Baelus, B.J.; Peeters, F.M. doi  openurl
  Title Multiply connected mesoscopic superconductors Type A1 Journal article
  Year 2003 Publication (up) Modern physics letters B T2 – 3rd International Conference on Modern Problems in Superconductivity, SEP 09-14, 2002, YALTA, UKRAINE Abbreviated Journal Mod Phys Lett B  
  Volume 17 Issue 10-12 Pages 527-536  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Multiply connected mesoscopic: superconductors are considered within the framework of the nonlinear Ginzburg-Landau theory. The two coupled nonlinear equations are solved numerically and we investigated the properties of a superconducting ring, two concentric rings, and an asymmetric ring. We find that (i) for a mesoscopic superconducting ring the flux through the hole is not quantized, (ii) two concentric mesoscopic superconducting rings are magnetically coupled and the interaction energy increases with increasing sample thickness, and (iii) in asymmetric rings, a stationary phase slip state is predicted.  
  Address  
  Corporate Author Thesis  
  Publisher World scientific publ co pte ltd Place of Publication Singapore Editor  
  Language Wos 000184303900016 Publication Date 2003-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0217-9849;1793-6640; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 0.617 Times cited Open Access  
  Notes Approved Most recent IF: 0.617; 2003 IF: 0.461  
  Call Number UA @ lucian @ c:irua:103810 Serial 2236  
Permanent link to this record
 

 
Author Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes Type A1 Journal article
  Year 2019 Publication (up) MRS advances Abbreviated Journal MRS Adv.  
  Volume 4 Issue 14 Pages 813-820  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  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.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000466846700004 Publication Date 2019-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2059-8521 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access Not_Open_Access: Available from 22.02.2020  
  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  
  Call Number EMAT @ emat @UA @ admin @ c:irua:160121 Serial 5179  
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Author Yan, X.F.; Chen, Q.; Li, L.L.; Guo, H.Z.; Peng, J.Z.; Peeters, F.M. pdf  url
doi  openurl
  Title High performance piezotronic spin transistors using molybdenum disulfide nanoribbon Type A1 Journal article
  Year 2020 Publication (up) Nano Energy Abbreviated Journal Nano Energy  
  Volume 75 Issue Pages 104953  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000560729200011 Publication Date 2020-05-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2211-2855 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.6 Times cited 17 Open Access  
  Notes ; This work was supported by Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2078), Scientific Research Fund of Hunan Provincial Education Department (19A106), and the Funeral Service Foundation (FWO-VI). ; Approved Most recent IF: 17.6; 2020 IF: 12.343  
  Call Number UA @ admin @ c:irua:171123 Serial 6535  
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Author Zarenia, M.; Pereira, J.M.; Peeters, F.M.; Farias, G.A. doi  openurl
  Title Electrostatically confined quantum rings in bilayer graphene Type A1 Journal article
  Year 2009 Publication (up) Nano letters Abbreviated Journal Nano Lett  
  Volume 9 Issue 12 Pages 4088-4092  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B0) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B0 ¨ −B0 transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000272395400023 Publication Date 2009-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 42 Open Access  
  Notes Approved Most recent IF: 12.712; 2009 IF: 9.991  
  Call Number UA @ lucian @ c:irua:80318 Serial 1024  
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Author Peelaers, H.; Partoens, B.; Peeters, F.M. doi  openurl
  Title Formation and segregation energies of B and P doped and BP codoped silicon nanowires Type A1 Journal article
  Year 2006 Publication (up) Nano letters Abbreviated Journal Nano Lett  
  Volume 6 Issue 12 Pages 2781-2784  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000242786500026 Publication Date 2006-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 94 Open Access  
  Notes Approved Most recent IF: 12.712; 2006 IF: 9.960  
  Call Number UA @ lucian @ c:irua:62381 Serial 1248  
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Author Földi, P.; Kálmán, O.; Benedict, M.G.; Peeters, F.M. doi  openurl
  Title Networks of quantum nanorings : programmable spintronic devices Type A1 Journal article
  Year 2008 Publication (up) Nano letters Abbreviated Journal Nano Lett  
  Volume 8 Issue 8 Pages 2556-2558  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract An array of quantum rings with local (ring by ring) modulation of the spin orbit interaction (SOI) can lead to novel effects in spin state transformation of electrons. It is shown that already small (3 x 3, 5 x 5) networks are remarkably versatile from this point of view: Working in a given network geometry, the input current can be directed to any of the output ports, simply by changing the SOI strengths by external gate voltages. Additionally, the same network with different SOI strengths can be completely analogous to the Stern-Gerlach device, exhibiting spatial-spin entanglement.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000258440700077 Publication Date 2008-07-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 76 Open Access  
  Notes Approved Most recent IF: 12.712; 2008 IF: 10.371  
  Call Number UA @ lucian @ c:irua:102609 Serial 2294  
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Author Peelaers, H.; Partoens, B.; Peeters, F.M. doi  openurl
  Title Phonon band structure of Si nanowires: a stability analysis Type A1 Journal article
  Year 2009 Publication (up) Nano letters Abbreviated Journal Nano Lett  
  Volume 9 Issue 1 Pages 107-111  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present full ab initio calculations of the phonon band structure of thin Si nanowires oriented along the [110] direction. Using these phonon dispersion relations, we investigate the structural stability of these wires. We found that all studied wires were stable also when doped with either B or P, if the unit cell was taken sufficiently large along the wire axis. The evolution of the phonon dispersion relations and of the sound velocities with respect to the wire diameters is discussed. Softening is observed for acoustic modes and hardening for optical phonon modes with increasing wire diameters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000262519100020 Publication Date 2008-12-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 51 Open Access  
  Notes Approved Most recent IF: 12.712; 2009 IF: 9.991  
  Call Number UA @ lucian @ c:irua:76022 Serial 2601  
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Author Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M. doi  openurl
  Title Tunable quantum dots in bilayer graphene Type A1 Journal article
  Year 2007 Publication (up) Nano letters Abbreviated Journal Nano Lett  
  Volume 7 Issue 4 Pages 946-949  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000245600500017 Publication Date 2007-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 167 Open Access  
  Notes Approved Most recent IF: 12.712; 2007 IF: 9.627  
  Call Number UA @ lucian @ c:irua:64118 Serial 3745  
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Author Yang, S.; Wang, C.; Sahin, H.; Chen, H.; Li, Y.; Li, S.S.; Suslu, A.; Peeters, F.M.; Liu, Q.; Li, J.; Tongay, S.; doi  openurl
  Title Tuning the optical, magnetic, and electrical properties of ReSe2 by nanoscale strain engineering Type A1 Journal article
  Year 2015 Publication (up) Nano letters Abbreviated Journal Nano Lett  
  Volume 15 Issue 15 Pages 1660-1666  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Creating materials with ultimate control over their physical properties is vital for a wide range of applications. From a traditional materials design perspective, this task often requires precise control over the atomic composition and structure. However, owing to their mechanical properties, low-dimensional layered materials can actually withstand a significant amount of strain and thus sustain elastic deformations before fracture. This, in return, presents a unique technique for tuning their physical properties by strain engineering. Here, we find that local strain induced on ReSe2, a new member of the transition metal dichalcogenides family, greatly changes its magnetic, optical, and electrical properties. Local strain induced by generation of wrinkle (1) modulates the optical gap as evidenced by red-shifted photoluminescence peak, (2) enhances light emission, (3) induces magnetism, and (4) modulates the electrical properties. The results not only allow us to create materials with vastly different properties at the nanoscale, but also enable a wide range of applications based on 2D materials, including strain sensors, stretchable electrodes, flexible field-effect transistors, artificial-muscle actuators, solar cells, and other spintronic, electromechanical, piezoelectric, photonic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000351188000033 Publication Date 2015-02-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 314 Open Access  
  Notes ; This work is supported by Arizona State University, Research Seeding Program, the National Natural Science Foundation of China (91233120), and the National Basic Research Program of China (2011CB921901). Q., Liu acknowledges the support to this work by NSFC (10974037), NBRPC (2010CB934102), and the CAS Strategy Pilot program (XDA 09020300). S. Yang acknowledges financial support from China Postdoctoral Science Foundation (No. 2013M540127). ; Approved Most recent IF: 12.712; 2015 IF: 13.592  
  Call Number c:irua:125480 Serial 3758  
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Author Kundys, D.; Van Duppen, B.; Marshall, O.P.; Rodriguez, F.; Torre, I.; Tomadin, A.; Polini, M.; Grigorenko, A.N. pdf  doi
openurl 
  Title Nonlinear light mixing by graphene plasmons Type A1 Journal article
  Year 2018 Publication (up) Nano letters Abbreviated Journal Nano Lett  
  Volume 18 Issue 1 Pages 282-287  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Graphene is known to possess strong optical nonlinearity which turned out to be suitable for creation of efficient saturable absorbers in mode locked fiber lasers. Nonlinear response of graphene can be further enhanced by the presence of graphene plasmons. Here, we report a novel nonlinear effect observed in nanostructured graphene which comes about due to excitation of graphene plasmons. We experimentally detect and theoretically explain enhanced mixing of near-infrared and mid-infrared light in arrays of graphene nanoribbons. Strong compression of light by graphene plasmons implies that the described effect of light mixing is nonlocal in nature and orders of magnitude larger than the conventional local graphene nonlinearity. Both second and third order nonlinear effects were observed in our experiments with the recalculated third-order nonlinearity coefficient reaching values of 4.5 x 10(-6) esu. The suggested effect could be used in variety of applications including nonlinear light modulators, light multiplexers, light logic, and sensing devices.'));  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000420000000039 Publication Date 2017-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 12 Open Access  
  Notes ; This work was supported by the European Union's Horizon 2020 research and innovation programme under Grant Agreement 696656 “GrapheneCorel”, Bluestone Global Technology, and Fondazione Istituto Italiano di Tecnologia. B.V.D. is supported by a postdoctoral fellowship granted by FWO-Vl and wishes to thank Scuola Normale Superiore (Pisa, Italy) for their hospitality during the final stages of preparation of this work. ; Approved Most recent IF: 12.712  
  Call Number UA @ lucian @ c:irua:148457UA @ admin @ c:irua:148457 Serial 4887  
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Author Su, Y.; Prestat, E.; Hu, C.; Puthiyapura, V.K.; Neek-Amal, M.; Xiao, H.; Huang, K.; Kravets, V.G.; Haigh, S.J.; Hardacre, C.; Peeters, F.M.; Nair, R.R. pdf  doi
openurl 
  Title Self-limiting growth of two-dimensional palladium between graphene oxide layers Type A1 Journal article
  Year 2019 Publication (up) Nano letters Abbreviated Journal Nano Lett  
  Volume 19 Issue 7 Pages 4678-4683  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The ability of different materials to display self-limiting growth has recently attracted an enormous amount of attention because of the importance of nanoscale materials in applications for catalysis, energy conversion, (opto)-electronics, and so forth. Here, we show that the electrochemical deposition of palladium (Pd) between graphene oxide (GO) sheets result in the self-limiting growth of 5-nm-thick Pd nanosheets. The self-limiting growth is found to be a consequence of the strong interaction of Pd with the confining GO sheets, which results in the bulk growth of Pd being energetically unfavorable for larger thicknesses. Furthermore, we have successfully carried out liquid exfoliation of the resulting Pd-GO laminates to isolate Pd nanosheets and have demonstrated their high efficiency in continuous flow catalysis and electrocatalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000475533900060 Publication Date 2019-06-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 12 Open Access  
  Notes ; This work was supported by the Royal Society, Engineering and Physical Sciences Research Council, U.K. (EP/S019367/1, EP/P025021/1, EP/K016946/1, and EP/ P009050/1), Graphene Flagship, and European Research Council (contract 679689 and EvoluTEM). We thank Dr. Sheng Zheng and Dr. K. S. Vasu at the University of Manchester for assisting us with sample preparation and characterization. The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. V.K.P. and C.H. are grateful for the resources and support provided via membership in the UK Catalysis Hub Consortium and funding by EPSRC (Portfolio grants EP/K014706/2, EP/K014668/1, EP/K014854/1, EP/K014714/1, and EP/I019693/1). F.M.P. and M.N.-A. acknowledge the support from the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 12.712  
  Call Number UA @ admin @ c:irua:161245 Serial 5426  
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