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Records |
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Author  |
Nevens, F.; Dessein, J.; Meul, M.; Rogge, E.; Verbruggen, I.; Mulier, A.; Van Passel, S.; Lepoutre, J.; Hongenaert, M. |
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Title |
'On tomorrow's grounds' : Flemish agriculture in 2030: a case of participatory translation of sustainability principles into a vision for the future |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
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Volume |
16 |
Issue |
10 |
Pages |
1062-1070 |
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Keywords |
A1 Journal article; Economics |
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Abstract |
In Flanders (Belgium) there is an obvious lack of clear long-term vision on sustainable development, for society as a whole as well as for the individual sectors of (economic) activity. In this paper we present the first results of a process of vision development for Flemish agriculture, called On tomorrow's grounds. The initiative, taken by Stedula (the Flemish Policy Research Centre for Sustainable Agriculture), shows that discovering core values, stating a concise mission, establishing guiding core principles and working with vivid descriptions of envisaged future systems seem indispensable elements to develop a vision that inspires and mobilizes people and that, eventually, stands a chance of being anchored in the sector's or organisation's culture. The principal method of working of the project was a multi-stakeholder process (MSP) focussed on dialogue. During five extensive stakeholder meetings, representatives of farmers, service industries, food distribution, education, government, research, consumers and NGO's participated in a constructive dialogue on values and mission, principles and two vivid descriptions of envisioned future farms. The concept of the project was welcomed and supported by the Flemish Minister-President and by the Belgian federal state secretary for sustainable development. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000256245800004 |
Publication Date |
2007-08-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0959-6526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.715 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.715; 2008 IF: 1.362 |
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Call Number |
UA @ admin @ c:irua:136765 |
Serial |
6232 |
| Permanent link to this record |
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Author |
Neven, L.; Thiruvottriyur Shanmugam, S.; Rahemi, V.; Trashin, S.; Sleegers, N.; Carrion, E.N.; Gorun, S.M.; De Wael, K. |
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Title |
Optimized photoelectrochemical detection of essential drugs bearing phenolic groups |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
91 |
Issue |
15 |
Pages |
9962-9969 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The World Health Organization (WHO) model “List of Essential Medicines” includes among indispensable medicines antibacterials and pain and migraine relievers. Monitoring their concentration in the environment, while challenging, is important in the context of antibiotic resistance as well as their production of highly toxic compounds via hydrolysis. Traditional detection methods such as high-performance liquid chromatography (HPLC) or LC combined with tandem mass spectrometry or UV-vis spectroscopy are time-consuming, have a high cost, require skilled operators and are difficult to adapt for field operations. In contrast, (electrochemical) sensors have elicited interest because of their rapid response, high selectivity, and sensitivity as well as potential for on-site detection. Previously, we reported a novel sensor system based on a type II photosensitizer, which combines the advantages of enzymatic sensors (high sensitivity) and photoelectrochemical sensors (easy baseline subtraction). Under red-light illumination, the photosensitizer produces singlet oxygen which oxidizes phenolic compounds present in the sample. The subsequent reduction of the oxidized phenolic compounds at the electrode surface gives rise to a quantifiable photocurrent and leads to the generation of a redox cycle. Herein we report the optimization in terms of pH and applied potential of the photoelectrochemical detection of the hydrolysis product of paracetamol, i.e., 4-aminophenol (4-AP), and two antibacterials, namely, cefadroxil (CFD, beta-lactam antibiotic) and doxycycline (DXC, tetracycline antibiotic). The optimized conditions resulted in a detection limit of 0.2 mu mol L-1 for DXC, but in a 10 times higher sensitivity, 20 nmol L-1, for CFD. An even higher sensitivity, 7 nmol L-1, was noted for 4-AP. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000480499200086 |
Publication Date |
2019-06-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
2 |
Open Access |
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Notes |
; FWO and UA-BOF are acknowledged for financial support. The Center for Functional Materials of Seton Hall University is thanked for support (S.M.G. and E.N.C.). Joren Van Loon is thanked for the graphical abstract. This research was supported by the medium scale research infrastructure funding Hercules funding (SEM). ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:161831 |
Serial |
5763 |
| Permanent link to this record |
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Author |
Neven, L.; Barich, H.; Pelmuş, M.; Gorun, S.M.; De Wael, K. |
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Title |
The role of singlet oxygen, superoxide, hydroxide, and hydrogen peroxide in the photoelectrochemical response of phenols at a supported highly fluorinated zinc phthalocyanine |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ChemElectroChem |
Abbreviated Journal |
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Volume |
9 |
Issue |
6 |
Pages |
e202200108-10 |
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Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Photoelectrochemical (PEC) sensing of phenolic compounds using singlet oxygen (1O2)-generating photocatalysts has emerged as a powerful detection tool. However, it is currently not known how experimental parameters, such as pH and applied potential, influence the generation of reactive oxygen species (ROS) and their photocurrents. In this article, the PEC response was studied over the 6 to 10 pH range using a rotating (ring) disk (R(R)DE) set-up in combination with quenchers, to identify the ROS formed upon illumination of a supported photosensitizer, F64PcZn. The photocurrents magnitude depended on the applied potential and the pH of the buffer solution. The anodic responses were caused by the oxidation of O2.−, generated due to the quenching of 1O2 with −OH and the reaction of 3O2 with [F64Pc(3-)Zn]. The cathodic responses were assigned to the reduction of 1O2 and O2.−, yielding H2O2. These insights may benefit 1O2 – based PEC sensing applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000773947300003 |
Publication Date |
2022-02-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2196-0216 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:187524 |
Serial |
8926 |
| Permanent link to this record |
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Author |
Neven, L.; Barich, H.; Ching, H.Y.V.; Khan, S.U.; Colomier, C.; Patel, H.H.; Gorun, S.M.; Verbruggen, S.; Van Doorslaer, S.; De Wael, K. |
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Title |
Correlation between the fluorination degree of perfluorinated zinc phthalocyanines, their singlet oxygen generation ability, and their photoelectrochemical response for phenol sensing |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
94 |
Issue |
13 |
Pages |
5221-5230 |
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Keywords |
A1 Journal article; Organic synthesis (ORSY); Sustainable Energy, Air and Water Technology (DuEL); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Electron-withdrawing perfluoroalkyl peripheral groups grafted on phthalocyanine (Pc) macrocycles improve their single-site isolation, solubility, and resistance to self-oxidation, all beneficial features for catalytic applications. A high degree of fluorination also enhances the reducibility of Pcs and could alter their singlet oxygen (1O2) photoproduction. The ethanol/toluene 20:80 vol % solvent mixture was found to dissolve perfluorinated FnPcZn complexes, n = 16, 52, and 64, and minimize the aggregation of the sterically unencumbered F16PcZn. The 1O2 production ability of FnPcZn complexes was examined using 9,10-dimethylanthracene (DMA) and 2,2,6,6-tetramethylpiperidine (TEMP) in combination with UV–vis and electron paramagnetic resonance (EPR) spectroscopy, respectively. While the photoreduction of F52PcZn and F64PcZn in the presence of redox-active TEMP lowered 1O2 production, DMA was a suitable 1O2 trap for ranking the complexes. The solution reactivity was complemented by solid-state studies via the construction of photoelectrochemical sensors based on TiO2-supported FnPcZn, FnPcZn|TiO2. Phenol photo-oxidation by 1O2, followed by its electrochemical reduction, defines a redox cycle, the 1O2 production having been found to depend on the value of n and structural features of the supported complexes. Consistent with solution studies, F52PcZn was found to be the most efficient 1O2 generator. The insights on reactivity testing and structural–activity relationships obtained may be useful for designing efficient and robust sensors and for other 1O2-related applications of FnPcZn. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000786254500002 |
Publication Date |
2022-03-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 7.4 |
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Call Number |
UA @ admin @ c:irua:187522 |
Serial |
7141 |
| Permanent link to this record |
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Author |
Nerl, H.C.; Pokle, A.; Jones, L.; Müller‐Caspary, K.; Bos, K.H.W.; Downing, C.; McCarthy, E.K.; Gauquelin, N.; Ramasse, Q.M.; Lobato, I.; Daly, D.; Idrobo, J.C.; Van Aert, S.; Van Tendeloo, G.; Sanvito, S.; Coleman, J.N.; Cucinotta, C.S.; Nicolosi, V. |
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Title |
Self‐Assembly of Atomically Thin Chiral Copper Heterostructures Templated by Black Phosphorus |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
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Volume |
29 |
Issue |
37 |
Pages |
1903120 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000478478400001 |
Publication Date |
2019-07-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1616-301X |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
European Research Council, 2DNanoCaps TC2D CoG 3D2DPrint CoG Picometrics grant agreement No. 770887; Engineering and Physical Sciences Research Council, EP/P033555/1 EP/R029431 ; Science Foundation Ireland, HPC1600932 ; |
Approved |
Most recent IF: 12.124 |
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Call Number |
EMAT @ emat @c:irua:161901 |
Serial |
5362 |
| Permanent link to this record |
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Author |
Nerantzaki, M.; Filippousi, M.; Van Tendeloo, G.; Terzopoulou, Z.; Bikiaris, D.; Goudouri, O.M.; Detsch, R.; Grueenewald, A.; Boccaccini, A.R. |
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Title |
Novel poly(butylene succinate) nanocomposites containing strontium hydroxyapatite nanorods with enhanced osteoconductivity for tissue engineering applications |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Express polymer letters |
Abbreviated Journal |
Express Polym Lett |
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Volume |
9 |
Issue |
9 |
Pages |
773-789 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Three series of poly(butylene succinate) (PBSu) nanocomposites containing 0.5, 1 and 2.5 wt% strontium hydroxyapatite [Sr-5(PO4)(3)OH] nanorods (SrHAp nrds) were prepared by in situ polymerisation. The structural effects of Sr-5(PO4)(3)OH nanorods, for the different concentrations, inside the polymeric matrix (PBSu), were studied through high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). HAADF-STEM measurements revealed that the SrHAp nanorods at low concentrations are dispersed inside the polymeric PBSu matrix while in 1 wt% some aggregates are formed. These aggregations affect the mechanical properties giving an enhancement for the concentration of 0.5 wt% SrHAp nrds in tensile strength, while a reduction is recorded for higher loadings of the nanofiller. Studies on enzymatic hydrolysis revealed that all nanocomposites present higher hydrolysis rates than neat PBSu, indicating that nanorods accelerate the hydrolysis degradation process. In vitro bioactivity tests prove that SrHAp nrds promote the formation of hydroxyapatite on the PBSu surface. All nanocomposites were tested also in relevant cell culture using osteoblast-like cells (MG-63) to demonstrate their biocompatibility showing SrHAp nanorods support cell attachment. |
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Corporate Author |
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Thesis |
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Publisher |
Budapest University of Technology and Economics Department of Polymer Engineering |
Place of Publication |
Budapest, Hungary |
Editor |
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Language |
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Wos |
000357287800004 |
Publication Date |
2015-06-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1788-618X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.983 |
Times cited |
21 |
Open Access |
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Notes |
262348 Esmi |
Approved |
Most recent IF: 2.983; 2015 IF: 2.761 |
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Call Number |
c:irua:127009 |
Serial |
2382 |
| Permanent link to this record |
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Author |
Nematollahi, P.; Esrafili, M.D.; Neyts, E.C. |
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Title |
The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
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Volume |
672-673 |
Issue |
672-673 |
Pages |
39-46 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this study, the healing of N-vacancy boron carbonitride nanosheet (NV-BC2NNS) and nanotube (NV-BC2NNT) by NO molecule is studied by means of density functional theory calculations. Two different N-vacancies are considered in each of these structures in which the vacancy site is surrounded by either three B-atoms (NB) or by two B- and one C-atom (NBC). By means of the healed BC2NNS and BC2NNT as a support, the removal of two toxic gas molecules (NO and CO) are applicable. It should be noted that the obtained energy barriers of both healing and oxidizing processes are significantly lower than those of graphene, carbon nanotubes or boron nitride nanostructures. Also, at the end of the oxidation process, the pure BC2NNS or BC2NNT is obtained without any additional defects. Therefore, by using this method, we can considerably purify the defective BC2NNS/BC2NNT. Moreover, according to the thermochemistry calculations we can further confirm that the healing process of the NV-BC2NNS and NV-BC2NNT by NO are feasible at room temperature. So, we can claim that this study could be very helpful in both purifying the defective BC2NNS/BC2NNT while in the same effort removing toxic NO and CO gases. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000432614700007 |
Publication Date |
2018-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0039-6028 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.062 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.062 |
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Call Number |
UA @ lucian @ c:irua:151478 |
Serial |
5044 |
| Permanent link to this record |
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Author |
Nelissen, K.; Partoens, B.; Schweigert, I.; Peeters, F.M. |
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Title |
Induced order and re-entrant melting in classical two-dimensional binary clusters |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
74 |
Issue |
6 |
Pages |
1046-1052 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000238029600017 |
Publication Date |
2006-05-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0295-5075;1286-4854; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.957 |
Times cited |
17 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.957; 2006 IF: 2.229 |
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Call Number |
UA @ lucian @ c:irua:59453 |
Serial |
1602 |
| Permanent link to this record |
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Author |
Nelissen, K.; Partoens, B.; Peeters, F.M. |
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Title |
Bubble, stripe, and ring phases in a two-dimensional cluster with competing interactions |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
71 |
Issue |
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Pages |
066204,1-11 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000230275000049 |
Publication Date |
2005-06-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
30 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.366; 2005 IF: 2.418 |
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Call Number |
UA @ lucian @ c:irua:62446 |
Serial |
258 |
| Permanent link to this record |
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Author |
Nelissen, K.; Partoens, B.; Peeters, F.M. |
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Title |
Dynamics of topological defects and the effects of the cooling rate on finite-size two-dimensional screened Coulomb clusters |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
79 |
Issue |
6 |
Pages |
66001,1-5 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000250409500013 |
Publication Date |
2007-08-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0295-5075;1286-4854; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.957 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.957; 2007 IF: 2.206 |
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Call Number |
UA @ lucian @ c:irua:66690 |
Serial |
785 |
| Permanent link to this record |
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Author |
Nelissen, K.; Partoens, B.; Peeters, F.M. |
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Title |
Influence of a defect particle on the structure of a classical two-dimensional cluster |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
69 |
Issue |
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Pages |
046605,1-6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000221253000064 |
Publication Date |
2004-04-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.366; 2004 IF: NA |
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Call Number |
UA @ lucian @ c:irua:62443 |
Serial |
1611 |
| Permanent link to this record |
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Author |
Nelissen, K.; Partoens, B.; Peeters, F.M. |
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Title |
Influence of an ellipsoid on the angular order in a two-dimensional cluster |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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Volume |
84 |
Issue |
3 |
Pages |
031405,1-031405,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The influence of an ellipsoid on the angular order of two-dimensional classical clusters is investigated through Brownian dynamics simulations. We found the following: (1) The presence of an ellipsoid does not influence the start of the angular melting, but reduces the rate at which the inner rings can rotate with respect to each other. (2) Even a small eccentricity of the ellipsoid leads to a stabilization of the angular order of the system. (3) Depending on the position of the ellipsoid in the cluster, a reentrant behavior in the angular order is observed before full radial melting of the cluster sets in. (4) The ellipsoid can lead to a two-step angular melting process: First, the rotation of the inner rings with respect to each other is hindered by the ellipsoid, but on further increasing the kinetic energy of the system, the ellipsoid just starts to behave as a spherical particle with different mobility. The effect of an ellipsoid on the molten system does not depend crucially on the interparticle interaction, but a softer parabolic confinement reduces the angular stabilization. |
| |
Address |
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| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000296495000007 |
Publication Date |
2011-09-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| |
Impact Factor |
2.366 |
Times cited |
|
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and CNPq. ; |
Approved |
Most recent IF: 2.366; 2011 IF: 2.255 |
| |
Call Number |
UA @ lucian @ c:irua:93612 |
Serial |
1615 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nelissen, K.; Misko, V.R.; Peeters, F.M. |
| |
Title |
Single-file diffusion of interacting particles in a one-dimensional channel |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Epl |
Abbreviated Journal |
Epl-Europhys Lett |
| |
Volume |
80 |
Issue |
5 |
Pages |
56004,1-5 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000251647900018 |
Publication Date |
2007-11-30 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.957 |
Times cited |
48 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.957; 2007 IF: 2.206 |
| |
Call Number |
UA @ lucian @ c:irua:67336 |
Serial |
3022 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nelissen, K.; Matulis, A.; Partoens, B.; Kong, M.; Peeters, F.M. |
| |
Title |
Spectrum of classical two-dimensional Coulomb clusters |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
| |
Volume |
73 |
Issue |
1 |
Pages |
016607,1-7 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000235008800095 |
Publication Date |
2006-01-17 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.366 |
Times cited |
33 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.366; 2006 IF: 2.438 |
| |
Call Number |
UA @ lucian @ c:irua:56611 |
Serial |
3075 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nelissen, K.; Heytens, L.; Schweigert, V.A.; Peeters, F.M. |
| |
Title |
Reentrant melting of a classical two-dimensional binary cluster |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
| |
Volume |
799 |
Issue |
|
Pages |
347-350 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
A system of classical charged particles interacting through a dipole repulsive potential, which are confined in a two-dimensional hardwall trap, is studied. The cluster consists of 16 particles, together with 4 defect particles. The technique of Brownian dynamics is used to simulate experimental binary colloidal systems [1]. The melting properties and the reentrant behavior of the system, which was studied before for clusters of identical particles [2], are studied for the binary mixture. The defect particles, which have a smaller charge than the other particles, stabilize the cluster, melt at a higher value of the coupling parameter F as compared to the other particles and have a strong influence on the melting properties of the other particles. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
New York |
Editor |
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0094-243x |
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:94767 |
Serial |
2854 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Matsushita, N.; Yoshimura, M.; Guitian, F. |
| |
Title |
Rational synthesis of a nanocrystalline calcium phosphate cement exhibiting rapid conversion to hydroxyapatite |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
Mat Sci Eng C-Mater |
| |
Volume |
29 |
Issue |
7 |
Pages |
2124-2132 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The rational synthesis, comprehensive characterization, and mechanical and micromechanical properties of a calcium phosphate cement are presented. Hydroxyapatite cement biomaterial was synthesized from reactive sub-micrometer-sized dicalcium phosphate dihydrate and tetracalcium phosphate via a dissolution-precipitation reaction using water as the liquid phase. As a result nanostructured, Ca-deficient and carbonated B-type hydroxyapatite is formed. The cement shows good processibility, sets in 22 ± 2 min and entirely transforms to the end product after 6 h of setting reaction, one of the highest conversion rates among previously reported for calcium phosphate cements based on dicalcium and tetracalcium phosphates. The combination of all elucidated physical-chemical traits leads to an essential bioactivity and biocompatibility of the cement, as revealed by in vitro acellular simulated body fluid and cell culture studies. The compressive strength of the produced cement biomaterial was established to be 25 ± 3 MPa. Furthermore, nanoindentation tests were performed directly on the cement to probe its local elasticity and plasticity at sub-micrometer/micrometer level. The measured elastic modulus and hardness were established to be Es = 23 ± 3.5 and H = 0.7 ± 0.2 GPa, respectively. These values are in close agreement with those reported in literature for trabecular and cortical bones, reflecting good elastic and plastic coherence between synthesized cement biomaterial and human bones. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| |
Language |
|
Wos |
000270159200008 |
Publication Date |
2009-04-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0928-4931; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.164 |
Times cited |
18 |
Open Access |
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.164; 2009 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:79312 |
Serial |
2812 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Guitián, F.; Yoshimura, M. |
| |
Title |
An effective morphology control of hydroxyapatite crystals via hydrothermal synthesis |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Crystal growth & design |
Abbreviated Journal |
Cryst Growth Des |
| |
Volume |
9 |
Issue |
1 |
Pages |
466-474 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
A facile urea-assisted hydrothermal synthesis and systematic characterization of hydroxyapatite (HA) with calcium nitrate tetrahydrate and diammonium hydrogen phosphate as precursors are reported. The advantage of the proposed technique over previously reported synthetic approaches is the simple but precise control of the HA crystals morphology, which is achieved by employing an intensive, stepwise, and slow thermal decomposition of urea as well as varying initial concentrations of starting reagents. Whereas the plate-, hexagonal prism- and needle-like HA particles preferentially growth along the c-axis, the smaller and fine-plate-like HA crystals demonstrate crystal growth along the (102) and (211) directions, uncommon for HA. Furthermore, it was established that the hydrothermally derived powdered products are phase-pure HA containing CO32− anions in the crystal lattice, that is, AB-type carbonated hydroxyapatite. Transmission electron microscopy (TEM) and electron diffraction (ED) of selected samples reveal that the as-prepared HA crystals are single-crystalline and exhibit a nearly defect-free microstructure. The hardness and elastic modulus of the hexagonal prism-like HA crystals have been investigated on a nanoscale using the nanoindentation technique; the observed trends are discussed. |
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Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000262332700073 |
Publication Date |
2008-11-21 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1528-7483;1528-7505; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.055 |
Times cited |
183 |
Open Access |
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.055; 2009 IF: 4.162 |
| |
Call Number |
UA @ lucian @ c:irua:75740 |
Serial |
853 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neilson, D.; Perali, A.; Zarenia, M. |
| |
Title |
Many-body electron correlations in graphene |
Type |
P1 Proceeding |
| |
Year |
2016 |
Publication |
(mbt18) |
Abbreviated Journal |
|
| |
Volume |
702 |
Issue |
702 |
Pages |
012008 |
| |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
| |
Abstract |
The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
Editor |
|
| |
Language |
|
Wos |
000389756000008 |
Publication Date |
2016-04-29 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
702 |
Series Issue |
|
Edition |
|
| |
ISSN |
1742-6588; 1742-6596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
3 |
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:140268 |
Serial |
4455 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M; Peeters, F.M. |
| |
Title |
Partially hydrogenated and fluorinated graphene : structure, roughness, and negative thermal expansion |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
92 |
Issue |
92 |
Pages |
155430 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The structural properties of partially hydrogenated and fluorinated graphene with different percentages of H/F atoms are investigated using molecular dynamics simulations based on reactive force field (ReaxFF) potentials. We found that the roughness of graphene varies with the percentage (p) of H or F and in both cases is maximal around p = 50%. Similar results were obtained for partially oxidized graphene. The two-dimensional area size of partially fluorinated and hydrogenated graphene exhibits a local minimum around p = 35% coverage. The lattice thermal contraction in partially functionalized graphene is found to be one order of magnitude larger than that of fully covered graphene. We also show that the armchair structure for graphene oxide (similar to the structure of fully hydrogenated and fluorinated graphene) is unstable. Our results show that the structure of partially functionalized graphene changes nontrivially with the C : H and C : F ratio as well as with temperature. |
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Address |
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| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000363294100005 |
Publication Date |
2015-10-23 |
| |
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 |
5 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
| |
Call Number |
UA @ lucian @ c:irua:129448 |
Serial |
4221 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Xu, P.; Schoelz, J.K.; Ackerman, M.L.; Barber, S.D.; Thibado, P.M.; Sadeghi, A.; Peeters, F.M. |
| |
Title |
Thermal mirror buckling in freestanding graphene locally controlled by scanning tunnelling microscopy |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
| |
Volume |
5 |
Issue |
|
Pages |
4962 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
Knowledge of and control over the curvature of ripples in freestanding graphene are desirable for fabricating and designing flexible electronic devices, and recent progress in these pursuits has been achieved using several advanced techniques such as scanning tunnelling microscopy. The electrostatic forces induced through a bias voltage (or gate voltage) were used to manipulate the interaction of freestanding graphene with a tip (substrate). Such forces can cause large movements and sudden changes in curvature through mirror buckling. Here we explore an alternative mechanism, thermal load, to control the curvature of graphene. We demonstrate thermal mirror buckling of graphene by scanning tunnelling microscopy and large-scale molecular dynamic simulations. The negative thermal expansion coefficient of graphene is an essential ingredient in explaining the observed effects. This new control mechanism represents a fundamental advance in understanding the influence of temperature gradients on the dynamics of freestanding graphene and future applications with electro-thermal-mechanical nanodevices. |
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Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000342984800018 |
Publication Date |
2014-09-17 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2041-1723; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
12.124 |
Times cited |
36 |
Open Access |
|
| |
Notes |
; Financial support for this study was provided, in part, by the Office of Naval Research under grant N00014-10-1-0181, the National Science Foundation under grant DMR-0855358, the EU-Marie Curie IIF postdoc Fellowship/299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. has also been supported partially by BOF project of University of Antwerp number 28033. ; |
Approved |
Most recent IF: 12.124; 2014 IF: 11.470 |
| |
Call Number |
UA @ lucian @ c:irua:121121 |
Serial |
3628 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Xu, P.; Qi, D.; Thibado, P.M.; Nyakiti, L.O.; Wheeler, V.D.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Peeters, F.M. |
| |
Title |
Membrane amplitude and triaxial stress in twisted bilayer graphene deciphered using first-principles directed elasticity theory and scanning tunneling microscopy |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
90 |
Issue |
6 |
Pages |
064101 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Twisted graphene layers produce a moire pattern (MP) structure with a predetermined wavelength for a given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene is impossible using first-principles density functional theory (DFT) due to the large supercell. Here, within elasticity theory, we define the MP structure as the minimum-energy configuration, thereby leaving the height amplitude as the only unknown parameter. The latter is determined from DFT calculations for AB-and AA-stacked bilayer graphene in order to eliminate all fitting parameters. Excellent agreement with scanning tunneling microscopy results across multiple substrates is reported as a function of twist angle. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000339995800001 |
Publication Date |
2014-08-01 |
| |
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 |
12 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoctoral Fellowship No. 299855. P.M.T. is thankful for the financial support of the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. L.O.N. acknowledges the support of the American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the US Naval Research Laboratory is supported by the Office of Naval Research. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| |
Call Number |
UA @ lucian @ c:irua:118774 |
Serial |
1991 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Sadeghi, A.; Berdiyorov, G.R.; Peeters, F.M. |
| |
Title |
Realization of free-standing silicene using bilayer graphene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
103 |
Issue |
26 |
Pages |
261904-4 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The available synthesized silicene-like structures have been only realized on metallic substrates which are very different from the standalone buckled silicene, e. g., the Dirac cone of silicene is destroyed due to lattice distortion and the interaction with the substrate. Using graphene bilayer as a scaffold, a route is proposed to synthesize silicene with electronic properties decoupled from the substrate. The buckled hexagonal arrangement of silicene between the graphene layers is found to be very similar to the theoretically predicted standalone buckled silicene which is only very weakly van der Waals coupled to the graphene layers with a graphite-like interlayer distance of 3.42 angstrom and without any lattice distortion. We found that these stacked layers are stable well above room temperature. (C) 2013 AIP Publishing LLC. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
000329977400022 |
Publication Date |
2013-12-26 |
| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.411 |
Times cited |
74 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship/299855. ; |
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
| |
Call Number |
UA @ lucian @ c:irua:114849 |
Serial |
2837 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Rashidi, R.; Nair, R.R.; Neilson, D.; Peeters, F.M. |
| |
Title |
Electric-field-induced emergent electrical connectivity in graphene oxide |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
99 |
Issue |
11 |
Pages |
115425 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Understanding the appearance of local electrical connectivity in liquid filled layered graphene oxide subjected to an external electric field is important to design electrically controlled smart permeable devices and also to gain insight into the physics behind electrical effects on confined water permeation. Motivated by recent experiments [K. G. Zhou et al. Nature (London) 559, 236 (2018)], we introduce a new model with random percolating paths for electrical connectivity in micron thick water filled layered graphene oxide, which mimics parallel resistors connected across the top and bottom electrodes. We find that a strong nonuniform radial electric field of the order similar to 10-50 mV/nm can be induced between layers depending on the current flow through the formed conducting paths. The maxima of the induced fields are not necessarily close to the electrodes and may be localized in the middle region of the layered material. The emergence of electrical connectivity and the associated electrical effects have a strong influence on the surrounding fluid in terms of ionization and wetting which subsequently determines the permeation properties. |
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Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000461960100001 |
Publication Date |
2019-03-19 |
| |
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 |
3 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 3.836 |
| |
Call Number |
UA @ admin @ c:irua:158534 |
Serial |
5206 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Peeters, F.M.; Grigorieva, I.V.; Geim, A.K. |
| |
Title |
Commensurability Effects in Viscosity of Nanoconfined Water |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
| |
Volume |
10 |
Issue |
10 |
Pages |
3685-3692 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
The rate of water flow through hydrophobic nanocapillaries is greatly enhanced as compared to that expected from macroscopic hydrodynamics. This phenomenon is usually described in terms of a relatively large slip length, which is in turn defined by such microscopic properties as the friction between water and capillary surfaces and the viscosity of water. We show that the viscosity of water and, therefore, its flow rate are profoundly affected by the layered structure of confined water if the capillary size becomes less than 2 nm. To this end, we study the structure and dynamics of water confined between two parallel graphene layers using equilibrium molecular dynamics simulations. We find that the shear viscosity is not only greatly enhanced for subnanometer capillaries, but also exhibits large oscillations that originate from commensurability between the capillary size and the size of water molecules. Such oscillating behavior of viscosity and, consequently, the slip length should be taken into account in designing and studying graphene-based and similar membranes for desalination and filtration. |
| |
Address |
School of Physics and Astronomy, University of Manchester , Manchester M13 9PL, United Kingdom |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
|
Editor |
|
| |
Language |
English |
Wos |
000372855400073 |
Publication Date |
2016-02-16 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
13.942 |
Times cited |
160 |
Open Access |
|
| |
Notes |
; M.N.A. was support by Shahid Rajaee Teacher Training University under contract number 29605. ; |
Approved |
Most recent IF: 13.942 |
| |
Call Number |
c:irua:133237 |
Serial |
4012 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Peeters, F.M. |
| |
Title |
Buckled circular monolayer graphene : a graphene nano-bowl |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| |
Volume |
23 |
Issue |
4 |
Pages |
045002-045002,8 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We investigate the stability of circular monolayer graphene subjected to a radial load using non-equilibrium molecular dynamics simulations. When monolayer graphene is radially stressed, after some small circular strain (~0.4%) it buckles and bends into a new bowl-like shape. Young's modulus is calculated from the linear relation between stress and strain before the buckling threshold, which is in agreement with experimental results. The prediction of elasticity theory for the buckling threshold of a radially stressed plate is presented and its results are compared to the one of our atomistic simulation. The Jarzynski equality is used to estimate the difference between the free energy of the non-compressed states and the buckled states. From a calculation of the free energy we obtain the optimum radius for which the system feels the minimum boundary stress. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
000286142800003 |
Publication Date |
2010-12-16 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.649 |
Times cited |
27 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
| |
Call Number |
UA @ lucian @ c:irua:88043 |
Serial |
259 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Peeters, F.M. |
| |
Title |
Defected graphene nanoribbons under axial compression |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
97 |
Issue |
15 |
Pages |
153118,1-153118,3 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The buckling of defected rectangular graphene nanoribbons when subjected to axial stress with supported boundary conditions is investigated using atomistic simulations. The buckling strain and mechanical stiffness of monolayer graphene decrease with the percentage of randomly distributed vacancies. The elasticity to plasticity transition in the stress-strain curve, at low percentage of vacancies, are found to be almost equal to the buckling strain thresholds and they decrease with increasing percentage of vacancies. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
000283216900069 |
Publication Date |
2010-10-14 |
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Series Editor |
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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 |
43 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (WO-Vl) and the Belgian Science Policy (IAP) ; |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
| |
Call Number |
UA @ lucian @ c:irua:85789 |
Serial |
624 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Peeters, F.M. |
| |
Title |
Effect of grain boundary on the buckling of graphene nanoribbons |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
100 |
Issue |
10 |
Pages |
101905-101905,4 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573] |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
000301655500021 |
Publication Date |
2012-03-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.411 |
Times cited |
18 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
| |
Call Number |
UA @ lucian @ c:irua:97794 |
Serial |
809 |
| Permanent link to this record |
| |
|
| |
|
Author |
Neek-Amal, M.; Peeters, F.M. |
| |
Title |
Graphene nanoribbons subjected to axial stress |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
82 |
Issue |
8 |
Pages |
085432-085432,6 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Atomistic simulations are used to study the bending of rectangular graphene nanoribbons subjected to axial stress both for free boundary and supported boundary conditions. The shapes of the deformations of the buckled graphene nanoribbons, for small values of the stress, are sine waves where the number of nodal lines depend on the longitudinal size of the system and the applied boundary condition. The buckling strain for the supported boundary condition is found to be independent of the longitudinal size and estimated to be 0.86%. From a calculation of the free energy at finite temperature we find that the equilibrium projected two-dimensional area of the graphene nanoribbon is less than the area of a flat sheet. At the optimum length the boundary strain for the supported boundary condition is 0.48%. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000281065100007 |
Publication Date |
2010-08-20 |
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Series Editor |
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Series Title |
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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 |
92 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
| |
Call Number |
UA @ lucian @ c:irua:84583 |
Serial |
1373 |
| Permanent link to this record |
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|
| |
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Author |
Neek-Amal, M.; Peeters, F.M. |
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Title |
Graphene on boron-nitride : Moiré pattern in the van der Waals energy |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
104 |
Issue |
4 |
Pages |
041909-4 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The spatial dependence of the van der Waals (vdW) energy between graphene and hexagonal boron-nitride (h-BN) is investigated using atomistic simulations. The van der Waals energy between graphene and h-BN shows a hexagonal superlattice structure identical to the observed Moire pattern in the local density of states, which depends on the lattice mismatch and misorientation angle between graphene and h-BN. Our results provide atomistic features of the weak van der Waals interaction between graphene and BN which are in agreement with experiment and provide an analytical expression for the size of the spatial variation of the weak van der Waals interaction. We also found that the A-B-lattice symmetry of graphene is broken along the armchair direction. (C) 2014 AIP Publishing LLC. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
000331209900028 |
Publication Date |
2014-01-31 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.411 |
Times cited |
61 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A was supported by the EU-Marie Curie IIF postdoctoral Fellowship/299855. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
| |
Call Number |
UA @ lucian @ c:irua:115802 |
Serial |
1374 |
| Permanent link to this record |
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|
| |
|
Author |
Neek-Amal, M.; Peeters, F.M. |
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Title |
Graphene on hexagonal lattice substrate : stress and pseudo-magnetic field |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
104 |
Issue |
17 |
Pages |
173106 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Moire patterns in the pseudo-magnetic field and in the strain profile of graphene (GE) when put on top of a hexagonal lattice substrate are predicted from elasticity theory. The van der Waals interaction between GE and the substrate induces out-of-plane deformations in graphene which results in a strain field, and consequently in a pseudo-magnetic field. When the misorientation angle is about 0.5 degrees, a three-fold symmetric strain field is realized that results in a pseudo-magnetic field very similar to the one proposed by F. Guinea, M. I. Katsnelson, and A. K. Geim [Nature Phys. 6, 30 (2010)]. Our results show that the periodicity and length of the pseudo-magnetic field can be tuned in GE by changing the misorientation angle and substrate adhesion parameters and a considerable energy gap (23 meV) can be obtained due to out-of-plane deformation of graphene which is in the range of recent experimental measurements (20-30 meV). (C) 2014 AIP Publishing LLC. |
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Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
000336142500066 |
Publication Date |
2014-05-02 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.411 |
Times cited |
14 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
| |
Call Number |
UA @ lucian @ c:irua:117724 |
Serial |
1375 |
| Permanent link to this record |
