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Author Wang, W.; Van Duppen, B.; Van der Donck, M.; Peeters, F.M. url  doi
openurl 
  Title Magnetopolaron effect on shallow-impurity states in the presence of magnetic and intense terahertz laser fields in the Faraday configuration Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 6 Pages 064108  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The magnetopolaron effect on shallow-impurity states in semiconductors is investigated when subjected simultaneously to a magnetic field and an intense terahertz laser field within the Faraday configuration. We use a time-dependent nonperturbative theory to describe electron interactions. The externally applied fields are exactly included via a laser-dressed interaction potential. Through a variational approach we evaluate the binding energy of the shallow-impurity states. We find that the interaction strength of the laser-dressed Coulomb potential can not only be enhanced but also weakened by varying the two external fields. In this way, the binding energy can be tuned by the external fields and red-or blue-shifted with respect to the static binding energy. In the nonresonant polaron region, a magnetopolaron correction that includes the effects of photon process is observed. In the resonant polaron region, moreover, the resonant magnetopolaron effect accompanied by the emission and absorption of a single photon is distinctly observed. This can be modulated to be far away from the reststrahlen band. The intriguing findings of this paper can be observed experimentally and, in turn, provide a way to measure the strength of the electron-phonon interaction.  
  Address (down)  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000426041900004 Publication Date 2018-02-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 9 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China (Grants No. 11404214 and No. 11455015) and the China Scholarship Council (CSC), Anhui Provincial Natural Science Foundation (Grant No. 1408085QA13), Key Projects of Anhui Provincial Department of Education (Grants No. KJ2017A406 and No. KJ2017A401). B.V.D. was financially supported by the Research Science Foundation-Flanders (FWO-Vl) through a postdoctoral fellowship and M.V.d.D. was financially supported by the Research Science Foundation-Flanders (FWO-Vl) through a doctoral fellowship. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:149906UA @ admin @ c:irua:149906 Serial 4942  
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Author Chen, Q.; Wang, W.; Peeters, F.M. pdf  doi
openurl 
  Title Magneto-polarons in monolayer transition-metal dichalcogenides Type A1 Journal article
  Year 2018 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 123 Issue 21 Pages 214303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Landau levels (LLs) are modified by the Frohlich interaction which we investigate within the improved Wigner-Brillouin theory for energies both below and above the longitudinal-optical-continuum in monolayer MoS2.., WS2, MoSe2, and WSe2. Polaron corrections to the LLs are enhanced in monolayer MoS2 as compared to WS2. A series of levels are found at h omega(LO) + lh omega(c), and in addition, the Frohlich interaction lifts the degeneracy between the levels nh omega(c) and h omega(LO) + lh omega(c) resulting in an anticrossing. The screening effect due to the environment plays an important role in the polaron energy corrections, which are also affected by the effective thickness r(eff) parameter. The polaron anticrossing energy gap E-gap decreases with increasing effective thickness r(eff). Published by AIP Publishing.  
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  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000434775500014 Publication Date 2018-06-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 19 Open Access  
  Notes ; Q. Chen and W. Wang acknowledge the financial support from the China Scholarship Council (CSC). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040), by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042), and by the National Natural Science Foundation of China (Grant No. 11404214). ; Approved Most recent IF: 2.068  
  Call Number UA @ lucian @ c:irua:151985UA @ admin @ c:irua:151985 Serial 5031  
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Author Zhang, H.; Wang, W.; Li, X.; Han, L.; Yan, M.; Zhong, Y.; Tu, X. pdf  url
doi  openurl
  Title Plasma activation of methane for hydrogen production in a N2 rotating gliding arc warm plasma : a chemical kinetics study Type A1 Journal article
  Year 2018 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 345 Issue 345 Pages 67-78  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this work, a chemical kinetics study on methane activation for hydrogen production in a warm plasma, i.e., N-2 rotating gliding arc (RGA), was performed for the first time to get new insights into the underlying reaction mechanisms and pathways. A zero-dimensional chemical kinetics model was developed, which showed a good agreement with the experimental results in terms of the conversion of CH4 and product selectivities, allowing us to get a better understanding of the relative significance of various important species and their related reactions to the formation and loss of CH4, H-2, and C2H2 etc. An overall reaction scheme was obtained to provide a realistic picture of the plasma chemistry. The results reveal that the electrons and excited nitrogen species (mainly N-2(A)) play a dominant role in the initial dissociation of CH4. However, the H atom induced reaction CH4+ H -> CH3+ H-2, which has an enhanced reaction rate due to the high gas temperature (over 1200 K), is the major contributor to both the conversion of CH4 and H-2 production, with its relative contributions of > 90% and > 85%, respectively, when only considering the forward reactions. The coexistence and interaction of thermochemical and plasma chemical processes in the rotating gliding arc warm plasma significantly enhance the process performance. The formation of C-2 hydrocarbons follows a nearly one-way path of C2H6 -> C2H4 -> C2H2, explaining why the selectivities of C-2 products decreased in the order of C2H2 > C2H4 > C2H6.  
  Address (down)  
  Corporate Author Thesis  
  Publisher Elsevier Sequoia Place of Publication Lausanne Editor  
  Language Wos 000430696500008 Publication Date 2018-03-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited 25 Open Access OpenAccess  
  Notes Approved Most recent IF: 6.216  
  Call Number UA @ lucian @ c:irua:151450 Serial 5036  
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Author Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M. url  doi
openurl 
  Title Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 10 Issue 17 Pages 8153-8161  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.  
  Address (down)  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000432261400033 Publication Date 2018-03-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 28 Open Access  
  Notes ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; Approved Most recent IF: 7.367  
  Call Number UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 Serial 5040  
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Author Wang, W.; Van Duppen, B.; Peeters, F.M. url  doi
openurl 
  Title Intense-terahertz-laser-modulated magnetopolaron effect on shallow-donor states in the presence of magnetic field in the Voigt configuration Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 99 Issue 1 Pages 014114  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The laser-modulated magnetopolaron effect on shallow donors in semiconductors is investigated in the presence of a magnetic field in the Voigt configuration. A nonperturbative approach is used to describe the electron-photon interaction by including the radiation field in an exact way via a laser-dressed interaction potential. Through a variational approach we evaluate the donor binding energy. We find that the interaction strength of the laser-dressed Coulomb potential in the z direction cannot only be enhanced but also weakened by the radiation field, while that in the x-y plane is only weakened. In this way, the binding energy of the states with odd z parity, like 2p(z) can be decreased or increased with respect to its static binding energy by the radiation field, while that of the other states can be only decreased. Furthermore, all binding energies become insensitive to the magnetic field if the radiation field is strong. The magnetopolaron effect on these energies is studied within second-order time-dependent perturbation theory. In the nonresonant region, a laser-modulated magnetopolaron correction, including the effect of single-photon processes, is observed. In the resonant region, a laser-modulated magnetopolaron effect, accompanied by the emission and absorption of a single photon, is found. Moreover, the 1s -> 2p(+) transition, accompanied by the emission of a single photon, is tuned by the radiation field into resonance with the longitudinal-optical phonon branch. This is electrically analogous to the magnetopolaron effect, and therefore we name it the dynamical magnetopolaron effect. Finally, by changing the frequency of the radiation field, these interesting effects can be tuned to be far away from the reststrahlen band and, therefore, can be detected experimentally. This in turn provides a direct measure of the electron-phonon interaction.  
  Address (down)  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000457057500001 Publication Date 2019-01-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 6 Open Access  
  Notes ; This work was supported by National Natural Science Foundation of China (Grants No. 11404214, No. 11455015, and No. 61504016) and the China Scholarship Council (CSC), and Science and Technology Research Foundation of Jiangxi Provincial Education Department (Grants No. GJJ161062 and No. GJJ180868). B.V.D. was supported by the Research Foundation – Flanders (FWO-Vl) through a postdoctoral fellowship. ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:157555 Serial 5218  
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Author Wang, W.; Li, L.; Kong, X.; Van Duppen, B.; Peeters, F.M. pdf  url
doi  openurl
  Title T4,4,4-graphyne : a 2D carbon allotrope with an intrinsic direct bandgap Type A1 Journal article
  Year 2019 Publication Solid state communications Abbreviated Journal Solid State Commun  
  Volume 293 Issue 293 Pages 23-27  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A novel two-dimensional (2D) structurally stable carbon allotrope is proposed using first-principles calculations, which is a promising material for water purification and for electronic devices due to its unique porous structure and electronic properties. Rectangular and hexagonal rings are connected with acetylenic linkages, forming a nanoporous structure with a pore size of 6.41 angstrom, which is known as T-4,T-4,T-4-graphyne. This 2D sheet exhibits a direct bandgap of 0.63 eV at the M point, which originates from the p(z)( )atomic orbitals of carbon atoms as confirmed by a tight-binding model. Importantly, T-4,T-4,T-4-graphyne is found to be energetically more preferable than the experimentally realized beta-graphdiyne, it is dynamically stable and can withstand temperatures up to 1500 K.  
  Address (down)  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000460909600005 Publication Date 2019-02-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1098 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.554 Times cited 10 Open Access  
  Notes ; This work was supported by National Natural Science Foundation of China (Grant Nos. 11404214 and 11455015), the China Scholarship Council (CSC), the Science and Technology Research Foundation of Jiangxi Provincial Education Department (Grant Nos. GJJ180868 and GJJ161062) the Fonds Wetenschappelijk Onderzoek (FWO-V1), and the FLAG-ERA project TRANS2DTMD. BVD was supported by the Research Foundation – Flanders (FWO-V1) through a postdoctoral fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI. ; Approved Most recent IF: 1.554  
  Call Number UA @ admin @ c:irua:158503 Serial 5234  
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Author Trenchev, G.; Nikiforov, A.; Wang, W.; Kolev, S.; Bogaerts, A. pdf  url
doi  openurl
  Title Atmospheric pressure glow discharge for CO2 conversion : model-based exploration of the optimum reactor configuration Type A1 Journal article
  Year 2019 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 362 Issue 362 Pages 830-841  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We investigate the performance of an atmospheric pressure glow discharge (APGD) reactor for CO2 conversion in three different configurations, through experiments and simulations. The first (basic) configuration utilizes the well-known pin-to-plate design, which offers a limited conversion. The second configuration improves the reactor performance by employing a vortex-flow generator. The third, “confined” configuration is a complete redesign of the reactor, which encloses the discharge in a limited volume, significantly surpassing the conversion rate of the other two designs. The plasma properties are investigated using an advanced plasma model.  
  Address (down)  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000457863500084 Publication Date 2019-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited 4 Open Access Not_Open_Access: Available from 15.10.2019  
  Notes Approved Most recent IF: 6.216  
  Call Number UA @ admin @ c:irua:157459 Serial 5269  
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Author Wang, W.; Butterworth, T.; Bogaerts, A. pdf  doi
openurl 
  Title Plasma propagation in a single bead DBD reactor at different dielectric constants : insights from fluid modelling Type A1 Journal article
  Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 54 Issue 21 Pages 214004  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Packed bed dielectric barrier discharge (PB-DBD) plasma reactors are very promising for various plasma catalysis applications, but the exact mechanisms of plasma-catalyst interaction are far from understood, because the plasma discharge and catalyst/packing properties are mutually dependent. To better understand the effect of packing dielectric material on the electrical plasma properties, we study here a single bead DBD plasma reactor operating in dry air, with beads of different dielectric constant and for different applied voltages, by means of fluid modelling validated by optical imaging experiments. Our study reveals that the plasma in the single bead DBD reactor can manifest itself in two different modalities, i.e. (a) polar discharges at the bead poles in contact with the electrodes, and (b) a streamer discharge caused by surface ionization waves, which bridges the gas gap. Beads with high dielectric constant result in localised electric field enhancement and hence yield a reduction of the applied voltage required for plasma production. At low applied voltage, the discharge appears as polar discharges between the bead and the electrodes, and upon higher voltage it undergoes a transition into a bridging streamer discharge. The transition voltage to the streamer mode rises for beads with higher dielectric constant. These observations are important for plasma catalysis applications. A higher dielectric constant yields a higher electric field and thus higher average electron energy and density, giving rise to more reactive species, but it also yields a confined discharge near the contact points of packing beads, limiting the interaction area between the catalyst and the active plasma species. In addition, our model reveals that the dielectric bead behaves as a capacitor and traps charges, which can explain the significant occurrence of partial discharging in PB-DBDs and non-parallelogram shaped Lissajous plots. Hence, equivalent circuit modelling of PB-DBDs should take into account the role of packing beads in charge trapping as a capacitor.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000626451000001 Publication Date 2021-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:177571 Serial 6772  
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