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Author (down) Nguyen, N.T.T.; Peeters, F.M. url  doi
openurl 
  Title Correlated many-electron states in a quantum dot containing a single magnetic impurity Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 76 Issue Pages 045315,1-8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000248540000068 Publication Date 2007-07-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 17 Open Access  
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172  
  Call Number UA @ lucian @ c:irua:69659 Serial 520  
Permanent link to this record
 

 
Author (down) Nguyen, N.T.T.; Peeters, F.M. url  doi
openurl 
  Title Cyclotron resonance of a magnetic quantum dot Type A1 Journal article
  Year 2008 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 78 Issue 24 Pages 245311,1-245311,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The energy spectrum of a one-electron quantum dot doped with a single magnetic ion is studied in the presence of an external magnetic field. The allowed cyclotron resonance (CR) transitions are obtained together with their oscillator strength as a function of the magnetic field, the position of the magnetic ion, and the quantum dot confinement strength. With increasing magnetic field a ferromagnetic-antiferromagnetic transition is found, which results in clear signatures in the CR absorption. It leads to discontinuities in the transition energies and the oscillator strengths and to an increase in the number of allowed transitions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000262246400055 Publication Date 2008-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 11 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:76011 Serial 602  
Permanent link to this record
 

 
Author (down) Nguyen, N.T.T.; Peeters, F.M. doi  openurl
  Title Magnetic field dependence of the many-electron statis in a magnetic quantum dot: the ferromagnetic-antiferromagnetic transition Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 78 Issue 4 Pages 045321,1-13  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000258190400078 Publication Date 2008-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 41 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:70560 Serial 1870  
Permanent link to this record
 

 
Author (down) Nguyen, N.T.T.; Peeters, F.M. url  doi
openurl 
  Title Phase-diagram for the magnetic states of the Mn-ion subsystem in a magnetic quantum dot Type P1 Proceeding
  Year 2010 Publication Journal of physics : conference series T2 – Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND Abbreviated Journal  
  Volume Issue Pages 012032-12034  
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The interplay between two types of spin-spin exchange interaction (namely of the electron with the Mn-ions and the Mn-ions with each other) that are governed by the positions of the Mn-ions and the magnetic field is studied in the case of a Mn-ion doped CdTe quantum dot. We investigate the formation of different magnetic phases and the existence of frustrated magnetic states due to the dominant contribution of the Mn-Mn energy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000294907400032 Publication Date 2010-09-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 245 Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:113081 Serial 2582  
Permanent link to this record
 

 
Author (down) Nguyen, N.T.T.; Peeters, F.M. url  doi
openurl 
  Title The breakdown of Kohn's theorem in few-electron parabolic quantum dots doped with a single magnetic impurity Mn2+ Type P1 Proceeding
  Year 2010 Publication Journal of physics : conference series T2 – Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND Abbreviated Journal  
  Volume Issue Pages 012031-12034  
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The cyclotron resonance (CR) absorption spectrum is calculated for a II-VI parabolic quantum dot (QD) containing few electrons and a single magnetic dopant (Mn(2+)). We find that Kohn's theorem no longer holds for this system and that the CR spectrum depends on the number of electrons inside the QD. The electron-Mn-ion interaction strength can be tuned for example by the magnetic field and by moving the Mn-ion to different positions inside the QD. We demonstrate that due to the presence of the Mn-ion the relative motion of the electrons couple with their center-of-mass motion through the electron-Mn-ion spin-spin exchange term resulting in an electron-electron interaction dependence of the magneto-optical absorption spectrum. At the ferromagnetic-antiferromagnetic transition we observe significant discontinuities in the CR lines.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000294907400031 Publication Date 2010-09-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 245 Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:113080 Serial 3572  
Permanent link to this record
 

 
Author (down) Nguyen, H.T.T.; Obeid, M.M.; Bafekry, A.; Idrees, M.; Vu, T.V.; Phuc, H., V; Hieu, N.N.; Le Hoa, T.; Amin, B.; Nguyen, C., V url  doi
openurl 
  Title Interfacial characteristics, Schottky contact, and optical performance of a graphene/Ga2SSe van der Waals heterostructure: Strain engineering and electric field tunability Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 102 Issue 7 Pages 075414-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional graphene-based van der Waals heterostructures have received considerable interest because of their intriguing characteristics compared with the constituent single-layer two-dimensional materials. Here, we investigate the interfacial characteristics, Schottky contact, and optical performance of graphene/Ga2SSe van der Waals (vdW) heterostructure using first-principles calculations. The effects of stacking patterns, electric gating, and interlayer coupling on the interfacial properties of graphene/Ga2SSe heterostructures are also examined. Our results demonstrate that the Dirac cone of graphene is well preserved at the F point in all stacking patterns due to the weak vdW interactions, which keep the heterostructures feasible such that they can be obtained in further experiments. Moreover, depending on the stacking patterns, a small band gap of about 13-17 meV opens in graphene and has a high carrier mobility, indicating that the graphene/Ga2SSe heterostructures are potential candidates for future high-speed nanoelectronic applications. In the ground state, the graphene/Ga2SSe heterostructures form an n-type Schottky contact. The transformation from an n-type to a p-type Schottky contact or to an Ohmic contact can be forced by electric gating or by varying the interlayer coupling. Our findings could provide physical guidance for designing controllable Schottky nanodevices with high electronic and optical performances.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000557294500006 Publication Date 2020-08-07  
  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 3.7 Times cited 12 Open Access  
  Notes ; This research is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under Grant No. 103.01-2019.05. The authors declare that there are no conflicts of interest regarding the publication of this paper. ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:171163 Serial 6549  
Permanent link to this record
 

 
Author (down) Nguyen, H.L.; Braun, M.; Szaloki, I.; Baeyens, W.; Van Grieken, R.; Leermakers, M. doi  openurl
  Title Tracing the metal pollution history of the Tisza River through the analysis of a sediment depth profile Type A1 Journal article
  Year 2009 Publication Water, air and soil pollution Abbreviated Journal  
  Volume 200 Issue Pages 119-132  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The vertical profiles of 20 major and trace metals were investigated along a 180-cm-long sediment core, which was sampled at Kiss-Janosne-Holt Tisza, an oxbow lake located in the upper part of the Tisza River in Hungary. The vertical profiles showed sharp peaks at different depths, reflecting historical pollution events and unusual changes of river water characteristics. Five different groups of metals, containing metals which were strongly correlated and showing a similar behaviour, could be distinguished by factor analysis. Six areas, with variable degrees and types of contamination, were classified in the sediment core with cluster analysis. The most polluted sections were found in the upper 50-cm part (significantly contaminated by Cu, Zn, Pb, Cd and Hg) and the deeper 100120-cm part (characterised by high concentrations of metals associated with mining activities, such as Fe and Mn, as well as Cu, Zn and Pb). In recent years, important pollution events, such as the one which took place in March of 2000, were the reason for pollution of the upper sediment layers, whereas mining activities during the last century were responsible for the pollution of the deeper core sections.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000266487700012 Publication Date 2008-10-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0049-6979; 1573-2932 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:77257 Serial 8695  
Permanent link to this record
 

 
Author (down) Nguyen, D.K.; Hoat, D.M.; Bafekry, A.; Van On, V.; Rivas-Silva, J.F.; Naseri, M.; Cocoletzi, G.H. pdf  doi
openurl 
  Title Theoretical prediction of the PtOX (X = S and Se) monolayers as promising optoelectronic and thermoelectric 2D materials Type A1 Journal article
  Year 2021 Publication Physica E-Low-Dimensional Systems & Nanostructures Abbreviated Journal Physica E  
  Volume 131 Issue Pages 114732  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract In this paper, two new monolayers, namely PtOS and PtOSe, are theoretically predicted using first-principles calculations. Structural, electronic, optical and thermoelectric properties are explored using full-potential linearized augmented plane-wave (FP-LAPW) method and the semiclassical Boltzmann transport theory. Predicted two-dimensional (2D) materials show good dynamical, thermodynamic and structural stability. Calculated electronic structures indicate the indirect gap semiconductor nature of the PtOS and PtOSe single layers with energy gap of 1.346(2.436) and 0.978(1.978) eV as calculated with the WC(HSE06) functional, respectively. Density of states spectra and valence charge distribution maps suggest a mix of covalent and ionic characters of the chemical bonds. 2D materials at hand exhibit good absorption property in the visible regime with coefficient value reaching the order of 105/cm, even much larger in the ultraviolet, suggesting the promising optoelectronic applicability. Finally, the thermoelectric parameters including electrical conductivity, thermal conductivity, Seebeck coefficient, power factor and figure of merit are determined and analyzed. Results indicate prospective thermoelectric performance of both considered single layers as demonstrated by large figure of merit close to unity. Our work introduces two new 2D multifunctional materials that may possess potential applications in the optoelectronic and thermoelectric nano-devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000647410700007 Publication Date 2021-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.221 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.221  
  Call Number UA @ admin @ c:irua:178346 Serial 7030  
Permanent link to this record
 

 
Author (down) Nguyen Thi Tuyet; Nguyen Phuoc Dan; Nguyen Cong Vu; Nguyen Le Hoang Trung; Bui Xuan Thanh; De Wever, H.; Goemans, M.; Diels, L. doi  openurl
  Title Laboratory-scale membrane up-concentration and co-anaerobic digestion for energy recovery from sewage and kitchen waste Type A1 Journal article
  Year 2016 Publication Water science and technology Abbreviated Journal  
  Volume 73 Issue 3 Pages 597-606  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This study assessed an alternative concept for co-treatment of sewage and organic kitchen waste in Vietnam. The goal was to apply direct membrane filtration for sewage treatment to generate a permeate that is suitable for discharge. The obtained chemical oxygen demand (COD) concentrations in the permeate of ultrafiltration tests were indeed under the limit value (50 mg/L) of the local municipal discharge standards. The COD of the concentrate was 5.4 times higher than that of the initial feed. These concentrated organics were then co-digested with organic kitchen wastes at an organic loading rate of 2.0 kg VS/m(3).d. The volumetric biogas production of the digester was 1.94 +/- 0.34 m(3)/m(3).d. The recovered carbon, in terms of methane gas, accounted for 50% of the total carbon input of the integrated system. Consequently, an electrical production of 64 Wh/capita/d can be obtained when applying the proposed technology with the current wastes generated in Ho Chi Minh City. Thus, it is an approach with great potential in terms of energy recovery and waste treatment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000374396300018 Publication Date 2016-02-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0273-1223; 1996-9732 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:144749 Serial 8144  
Permanent link to this record
 

 
Author (down) Nguten, N.T.T.; Peeters, F.M. url  doi
openurl 
  Title Many-body effects in the cyclotron resonance of a magnetic dot Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue 11 Pages 115335,1-115335,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Intraband cyclotron resonance (CR) transitions of a two-electron quantum dot containing a single magnetic ion is investigated for different Coulomb interaction strengths and different positions of the magnetic ion. In contrast to the usual parabolic quantum dots where CR is independent of the number of electrons, we found here that due to the presence of the magnetic ion Kohn's theorem no longer holds and CR is different for systems with different number of electrons and different effective electron-electron Coulomb interaction strength. Many-body effects result in shifts in the transition energies and change the number of CR lines. The position of the magnetic ion inside the quantum dot affects the structure of the CR spectrum by changing the position and the number of crossings and anticrossings in the transition energies and oscillator strengths.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000270383200110 Publication Date 2009-09-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 6 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:79228 Serial 1941  
Permanent link to this record
 

 
Author (down) Ngo, N.; Liu, X.; Van Winckel, T.; Massoudieh, A.; Kjellerup, B.V.; Takács, I.; Wett, B.; Mancell-Egala, M.; Sturm, B.; Vlaeminck, S.E.; Al-Omari, A.; Murthy, S.; De Clippeleir, H. openurl 
  Title Experimental metrics to predict the flocculent settling coefficient in a 1D settler model Type P3 Proceeding
  Year 2017 Publication Abbreviated Journal  
  Volume Issue Pages 5 p. T2 - WEFTEC.17, 30 September 4 October 2017,  
  Keywords P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  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 no  
  Call Number UA @ admin @ c:irua:151111 Serial 7948  
Permanent link to this record
 

 
Author (down) Nga, T.T.N.; Peeters, F.M. url  doi
openurl 
  Title Influence of electron-electron interaction on the cyclotron resonance spectrum of magnetic quantum dots containing few electrons Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue 7 Pages 075419-075419,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The configuration interaction method is used to obtain the magneto-optical absorption spectrum of a few-electron (Ne=1,2,,5) quantum dot containing a single magnetic ion. We find that the IR spectrum (the position, the number, and the oscillator strength of the cyclotron resonance peaks) depends on the strength of the Coulomb interaction, the number of electrons, and the position of the magnetic ion. We find that the Kohn theorem is no longer valid as a consequence of the electron-spin-magnetic-ion-spin-exchange interaction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000287584600011 Publication Date 2011-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 8 Open Access  
  Notes ; This work was supported by FWO-Vl (Flemish Science Foundation), the Brazilian science foundation CNPq, and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:88912 Serial 1620  
Permanent link to this record
 

 
Author (down) Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A. pdf  doi
openurl 
  Title Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine Type A1 Journal article
  Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 47 Issue 29 Pages 293001  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000338860300001 Publication Date 2014-06-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 28 Open Access  
  Notes Approved Most recent IF: 2.588; 2014 IF: 2.721  
  Call Number UA @ lucian @ c:irua:117853 Serial 472  
Permanent link to this record
 

 
Author (down) Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. doi  openurl
  Title Establishing uniform acceptance in force biased Monte Carlo simulations Type A1 Journal article
  Year 2012 Publication Journal of chemical theory and computation Abbreviated Journal J Chem Theory Comput  
  Volume 8 Issue 6 Pages 1865-1869  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Uniform acceptance force biased Monte Carlo (UFMC) simulations have previously been shown to be a powerful tool to simulate atomic scale processes, enabling one to follow the dynamical path during the simulation. In this contribution, we present a simple proof to demonstrate that this uniform acceptance still complies with the condition of detailed balance, on the condition that the characteristic parameter lambda = 1/2 and that the maximum allowed step size is chosen to be sufficiently small. Furthermore, the relation to Metropolis Monte Carlo (MMC) is also established, and it is shown that UFMC reduces to MMC by choosing the characteristic parameter lambda = 0 [Rao, M. et al. Mol. Phys. 1979, 37, 1773]. Finally, a simple example compares the UFMC and MMC methods.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000305092400002 Publication Date 2012-05-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1549-9618;1549-9626; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.245 Times cited 20 Open Access  
  Notes Approved Most recent IF: 5.245; 2012 IF: 5.389  
  Call Number UA @ lucian @ c:irua:99090 Serial 1082  
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Author (down) Neyts, E.C.; Ostrikov, K.K.; Sunkara, M.K.; Bogaerts, A. pdf  url
doi  openurl
  Title Plasma Catalysis: Synergistic Effects at the Nanoscale Type A1 Journal article
  Year 2015 Publication Chemical reviews Abbreviated Journal Chem Rev  
  Volume 115 Issue 115 Pages 13408-13446  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Thermal-catalytic gas processing is integral to many current industrial processes. Ever-increasing demands on conversion and energy efficiencies are a strong driving force for the development of alternative approaches. Similarly, synthesis of several functional materials (such as nanowires and nanotubes) demands special processing conditions. Plasma catalysis provides such an alternative, where the catalytic process is complemented by the use of plasmas that activate the source gas. This combination is often observed to result in a synergy between plasma and catalyst. This Review introduces the current state-of-the-art in plasma catalysis, including numerous examples where plasma catalysis has demonstrated its benefits or shows future potential, including CO2 conversion, hydrocarbon reforming, synthesis of nanomaterials, ammonia production, and abatement of toxic waste gases. The underlying mechanisms governing these applications, as resulting from the interaction between the plasma and the catalyst, render the process highly complex, and little is known about the factors leading to the often-observed synergy. This Review critically examines the catalytic mechanisms relevant to each specific application.  
  Address Department of Chemistry, Research Group PLASMANT, Universiteit Antwerpen , Universiteitsplein 1, 2610 Wilrijk-Antwerp, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000367563000006 Publication Date 2015-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2665 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 47.928 Times cited 204 Open Access  
  Notes ECN and AB gratefully acknowledge financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant Number G.0217.14N. KO acknowledges partial support by the Australian Research Council and CSIRO’s OCE Science Leaders Program. MKS acknowledges partial support from US National Science Foundation through grants DMS 1125909 and EPSCoR 1355448 and also PhD students Babajide Ajayi, Apolo Nambo and Maria Carreon for their help. Approved Most recent IF: 47.928; 2015 IF: 46.568  
  Call Number c:irua:130001 Serial 3993  
Permanent link to this record
 

 
Author (down) Neyts, E.C.; Bal, K.M. pdf  doi
openurl 
  Title Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 6 Pages e1600158  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma-catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000403699900013 Publication Date 2016-11-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 2 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.846  
  Call Number UA @ lucian @ c:irua:144210 Serial 4647  
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Author (down) Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. doi  openurl
  Title Particle-in-cell/Monte Carlo simulations of a low-pressure capacitively coupled radio-frequency discharge: effect of adding H2 to an Ar discharge Type A1 Journal article
  Year 2003 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 93 Issue Pages 5025-5033  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000182296700010 Publication Date 2003-04-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 15 Open Access  
  Notes Approved Most recent IF: 2.068; 2003 IF: 2.171  
  Call Number UA @ lucian @ c:irua:44012 Serial 2562  
Permanent link to this record
 

 
Author (down) Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. doi  openurl
  Title PIC-MC simulation of an RF capacitively coupled Ar/H2 discharge Type A1 Journal article
  Year 2003 Publication Nuclear instruments and methods in physics research: B Abbreviated Journal Nucl Instrum Meth B  
  Volume 202 Issue Pages 300-304  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000182122500048 Publication Date 2003-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0168-583X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.109 Times cited 8 Open Access  
  Notes Approved Most recent IF: 1.109; 2003 IF: 1.041  
  Call Number UA @ lucian @ c:irua:44015 Serial 2620  
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Author (down) Neyts, E.; Tacq, M.; Bogaerts, A. doi  openurl
  Title Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: a molecular dynamics study Type A1 Journal article
  Year 2006 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 15 Issue 10 Pages 1663-1676  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000241224000026 Publication Date 2006-03-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-9635; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.561 Times cited 18 Open Access  
  Notes Approved Most recent IF: 2.561; 2006 IF: 1.935  
  Call Number UA @ lucian @ c:irua:59634 Serial 2819  
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Author (down) Neyts, E.; Mao, M.; Eckert, M.; Bogaerts, A. isbn  openurl
  Title Modeling aspects of plasma-enhanced chemical vapor deposition of carbon-based materials Type H1 Book chapter
  Year 2012 Publication Abbreviated Journal  
  Volume Issue Pages 245-290  
  Keywords H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher CRC Press Place of Publication Boca Raton, Fla Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN 978-1-4398-6676-4 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:107843 Serial 2109  
Permanent link to this record
 

 
Author (down) Neyts, E.; Eckert, M.; Mao, M.; Bogaerts, A. doi  openurl
  Title Numerical simulation of hydrocarbon plasmas for nanoparticle formation and the growth of nanostructured thin films Type A1 Journal article
  Year 2009 Publication Plasma physics and controlled fusion Abbreviated Journal Plasma Phys Contr F  
  Volume 51 Issue Pages 124034,1-124034,8  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract This paper outlines two different numerical simulation approaches, carried out by our group, used for describing hydrocarbon plasmas in their applications for either nanoparticle formation in the plasma or the growth of nanostructured thin films, such as nanocrystalline diamond (NCD). A plasma model based on the fluid approach is utilized to study the initial mechanisms giving rise to nanoparticle formation in an acetylene plasma. The growth of NCD is investigated by molecular dynamics simulations, describing the interaction of the hydrocarbon species with a substrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000271940800045 Publication Date 2009-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0741-3335;1361-6587; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.392 Times cited 2 Open Access  
  Notes Approved Most recent IF: 2.392; 2009 IF: 2.409  
  Call Number UA @ lucian @ c:irua:79132 Serial 2405  
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Author (down) Neyts, E.; Eckert, M.; Bogaerts, A. doi  openurl
  Title Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar+ ion kinetic energy Type A1 Journal article
  Year 2007 Publication Chemical vapor deposition Abbreviated Journal Chem Vapor Depos  
  Volume 13 Issue 6/7 Pages 312-318  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000248381800007 Publication Date 2007-07-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0948-1907;1521-3862; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.333 Times cited 14 Open Access  
  Notes Approved Most recent IF: 1.333; 2007 IF: 1.936  
  Call Number UA @ lucian @ c:irua:64532 Serial 2176  
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Author (down) Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. doi  openurl
  Title Densification of thin a-C: H films grown from low-kinetic energy hydrocarbon radicals under the influence of H and C particle fluxes: a molecular dynamics study Type A1 Journal article
  Year 2006 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 39 Issue 9 Pages 1948-1953  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000238233900035 Publication Date 2006-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 3 Open Access  
  Notes Approved Most recent IF: 2.588; 2006 IF: 2.077  
  Call Number UA @ lucian @ c:irua:57254 Serial 634  
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Author (down) Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. doi  openurl
  Title Effect of hydrogen on the growth of thin hydrogenated amorphous carbon films from thermal energy radicals Type A1 Journal article
  Year 2006 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 88 Issue Pages 141922  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000236612000037 Publication Date 2006-04-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 35 Open Access  
  Notes Approved Most recent IF: 3.411; 2006 IF: 3.977  
  Call Number UA @ lucian @ c:irua:57642 Serial 817  
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Author (down) Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. doi  openurl
  Title Modeling PECVD growth of nanostructured carbon materials Type A1 Journal article
  Year 2009 Publication High temperature material processes Abbreviated Journal High Temp Mater P-Us  
  Volume 13 Issue 3/4 Pages 399-412  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000274202300012 Publication Date 2010-02-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1093-3611; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:80991 Serial 2138  
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Author (down) Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. url  doi
openurl 
  Title Reaction mechanisms and thin a-C:H film growth from low energy hydrocarbon radicals Type A1 Journal article
  Year 2007 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 86 Issue Pages 12020-12020,15  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations using the Brenner potential have been performed to investigate reaction mechanisms of various hydrocarbon radicals with low kinetic energies on amorphous hydrogenated carbon (a-C:H) surfaces and to simulate thin a-C:H film growth. Experimental data from an expanding thermal plasma setup were used as input for the simulations. The hydrocarbon reaction mechanisms were studied both during growth of the films and on a set of surface sites specific for a-C:H surfaces. Thin film growth was studied using experimentally detected growth species. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000256282900020 Publication Date 2007-11-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 22 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:65692 Serial 2817  
Permanent link to this record
 

 
Author (down) Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. doi  openurl
  Title Unraveling the deposition mechanism in a-C:H thin-film growth: a molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces Type A1 Journal article
  Year 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 99 Issue 1 Pages 014902,1-8  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000234607200071 Publication Date 2006-01-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 25 Open Access  
  Notes Approved Most recent IF: 2.068; 2006 IF: 2.316  
  Call Number UA @ lucian @ c:irua:55831 Serial 3815  
Permanent link to this record
 

 
Author (down) Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van den Sanden, M.C.M. doi  openurl
  Title Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species Type A1 Journal article
  Year 2004 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 13 Issue Pages 1873-1881  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000223883400021 Publication Date 2004-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-9635; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.561 Times cited 53 Open Access  
  Notes Approved Most recent IF: 2.561; 2004 IF: 1.670  
  Call Number UA @ lucian @ c:irua:48276 Serial 2173  
Permanent link to this record
 

 
Author (down) Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van de Sanden, M.C.M. doi  openurl
  Title Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC Type A1 Journal article
  Year 2005 Publication Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms Abbreviated Journal Nucl Instrum Meth B  
  Volume 228 Issue Pages 315-318  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000226669800052 Publication Date 2004-12-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0168-583X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.109 Times cited 19 Open Access  
  Notes Approved Most recent IF: 1.109; 2005 IF: 1.181  
  Call Number UA @ lucian @ c:irua:49873 Serial 2172  
Permanent link to this record
 

 
Author (down) Neyts, E.; Bogaerts, A.; de Meyer, M.; van Gils, S. doi  openurl
  Title Macroscale computer simulations to investigate the chemical vapor deposition of thin metal-oxide films Type A1 Journal article
  Year 2007 Publication Surface and coatings technology Abbreviated Journal Surf Coat Tech  
  Volume 201 Issue 22/23 Pages 8838-8841  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000249340400008 Publication Date 2007-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0257-8972; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.589 Times cited 5 Open Access  
  Notes Approved Most recent IF: 2.589; 2007 IF: 1.678  
  Call Number UA @ lucian @ c:irua:64790 Serial 1859  
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