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Records |
Links |
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Author |
Fedina, L.; Gutakovskii, A.; Aseev, A.; van Landuyt, J.; Vanhellemont, J. |
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Title |
Extended defects formation in Si crystals by clustering of intrinsic point defects studied by in-situ irradiation in an HREM |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
Phys Status Solidi A |
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Volume |
171 |
Issue |
1 |
Pages |
147-157 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Corporate Author |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Wos |
000078539700020 |
Publication Date |
0000-00-00 |
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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 |
0031-8965 |
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 |
40 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:29687 |
Serial |
1153 |
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Permanent link to this record |
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Author |
Fedina, L.; Gutakovskii, A.; Aseev, A.; van Landuyt, J.; Vanhellemont, J. |
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Title |
New intermediate defect configuration in Si studied by in situ HREM irradiation |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Conference series of the Institute of Physics |
Abbreviated Journal |
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Volume |
157 |
Issue |
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Pages |
43-46 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Corporate Author |
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Publisher |
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Place of Publication |
London |
Editor |
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Wos |
000071954600006 |
Publication Date |
0000-00-00 |
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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 |
0305-2346 |
ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:21428 |
Serial |
2318 |
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Permanent link to this record |
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Author |
Fedina, L.; Gutakovskii, A.; Aseev, A.; van Landuyt, J.; Vanhellemont, J. |
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Title |
On the mechanism of {111}-defect formation in silicon studies by in situ electrin irradiation in a high resolution electron microscope |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
Philos Mag A |
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Volume |
77 |
Issue |
2 |
Pages |
423-435 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000071976400010 |
Publication Date |
0000-00-00 |
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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 |
0141-8610; 1364-2804 |
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 |
23 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:29671 |
Serial |
2440 |
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Permanent link to this record |
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Author |
Faust, V.; Vlaeminck, S.E.; Ganigué, R.; Udert, K.M. |
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Title |
Influence of pH on urine nitrification : community shifts of ammonia-oxidizing bacteria and inhibition of nitrite-oxidizing bacteria |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ACS ES&T engineering |
Abbreviated Journal |
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Volume |
4 |
Issue |
2 |
Pages |
342-353 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urine nitrification is pH-sensitive due to limited alkalinity and high residual ammonium concentrations. This study aimed to investigate how the pH affects nitrogen conversion and the microbial community of urine nitrification with a pH-based feeding strategy. First, kinetic parameters for NH3, HNO2, and NO2– limitation and inhibition were determined for nitrifiers from a urine nitrification reactor. The turning point for ammonia-oxidizing bacteria (AOB), i.e., the substrate concentration at which a further increase would lead to a decrease in activity due to inhibitory effects, was at an NH3 concentration of 12 mg-N L–1, which was reached only at pH values above 7. The total nitrite turning point for nitrite-oxidizing bacteria (NOB) was pH-dependent, e.g., 18 mg-N L–1 at pH 6.3. Second, four years of data from two 120 L reactors were analyzed, showing that stable nitrification with low nitrite was most likely between pH 5.8 and 6.7. And third, six 12 L urine nitrification reactors were operated at total nitrogen concentrations of 1300 and 3600 mg-N L–1 and pH values between 2.5 and 8.5. At pH 6, the AOB Nitrosomonas europaea was found, and the NOB belonged to the genus Nitrobacter. At pH 7, nitrite accumulated, and Nitrosomonas halophila was the dominant AOB. NOB were inhibited by HNO2 accumulation. At pH 8.5, the AOB Nitrosomonas stercoris became dominant, and NH3 inhibited NOB. Without influent, the pH dropped to 2.5 due to the growth of the acid-tolerant AOB “Candidatus Nitrosacidococcus urinae”. In conclusion, pH is a decisive process control parameter for urine nitrification by influencing the selection and kinetics of nitrifiers. |
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Place of Publication |
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Wos |
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Publication Date |
2023-11-02 |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203306 |
Serial |
9048 |
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Permanent link to this record |
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Author |
Faust, V.; van Alen, T.A.; Op den Camp, H.J.M.; Vlaeminck, S.E.; Ganigué, R.; Boon, N.; Udert, K.M. |
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Title |
Ammonia oxidation by novel “Candidatus Nitrosacidococcus urinae” is sensitive to process disturbances at low pH and to iron limitation at neutral pH |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Water Research X |
Abbreviated Journal |
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Volume |
17 |
Issue |
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Pages |
100157-11 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Acid-tolerant ammonia-oxidizing bacteria (AOB) can open the door to new applications, such as partial nitritation at low pH. However, they can also be problematic because chemical nitrite oxidation occurs at low pH, leading to the release of harmful nitrogen oxide gases. In this publication, the role of acid-tolerant AOB in urine treatment was explored. On the one hand, the technical feasibility of ammonia oxidation under acidic conditions for source-separated urine with total nitrogen concentrations up to 3.5 g-N L−1 was investigated. On the other hand, the abundance and growth of acid-tolerant AOB at more neutral pH was explored. Under acidic conditions (pH of 5), ammonia oxidation rates of 500 mg-N L−1 d−1 and 10 g-N g-VSS-1 d-1 were observed, despite high concentrations of 15 mg-N L−1 of the AOB-inhibiting compound nitrous acid and low concentration of 0.04 mg-N L−1 of the substrate ammonia. However, ammonia oxidation under acidic conditions was very sensitive to process disturbances. Even short periods of less than 12 h without oxygen or without influent resulted in a complete cessation of ammonia oxidation with a recovery time of up to two months, which is a problem for low maintenance applications such as decentralized treatment. Furthermore, undesirable nitrogen losses of about 10% were observed. Under acidic conditions, a novel AOB strain was enriched with a relative abundance of up to 80%, for which the name “Candidatus (Ca.) Nitrosacidococcus urinae” is proposed. While Nitrosacidococcus members were present only to a small extent (0.004%) in urine nitrification reactors operated at pH values between 5.8 and 7, acid-tolerant AOB were always enriched during long periods without influent, resulting in an uncontrolled drop in pH to as low as 2.5. Long-term experiments at different pH values showed that the activity of “Ca. Nitrosacidococcus urinae” decreased strongly at a pH of 7, where they were also outcompeted by the acid-sensitive AOB Nitrosomonas halophila. The experiment results showed that the decreased activity of “Ca. Nitrosacidococcus urinae” correlated with the limited availability of dissolved iron at neutral pH. |
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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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Language |
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Wos |
000877925500001 |
Publication Date |
2022-10-04 |
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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 |
2589-9147 |
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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:190944 |
Serial |
7124 |
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Permanent link to this record |
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Author |
Faust, V.; Gruber, W.; Ganigue, R.; Vlaeminck, S.E.; Udert, K.M. |
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Title |
Nitrous oxide emissions and carbon footprint of decentralized urine fertilizer production by nitrification and distillation |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS ES&T engineering |
Abbreviated Journal |
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Volume |
2 |
Issue |
9 |
Pages |
1745-1755 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Combining partial nitrification, granular activated carbon (GAC) filtration, and distillation is a well-studied approach to convert urine into a fertilizer. To evaluate the environmental sustainability of a technology, the operational carbon footprint and therefore nitrous oxide (N2O) emissions should be known, but N2O emissions from urine nitrification have not been assessed yet. Therefore, N2O emissions of a decentralized urine nitrification reactor were monitored for 1 month. During nitrification, 0.4-1.2% of the total nitrogen load was emitted as N2O-N with an average N2O emission factor (EFN2O) of 0.7%. Additional N2O was produced during anoxic storage between nitrification and GAC filtration with an estimated EFN2O of 0.8%, resulting in an EFN2O of 1.5% for the treatment chain. N2O emissions during nitrification can be mitigated by 60% by avoiding low dissolved oxygen or anoxic conditions and nitrite concentrations above 5 mg-N L-1. Minimizing the hydraulic retention time between nitrification and GAC filtration can reduce N2O formation during intermediate storage by 100%. Overall, the N2O emissions accounted for 45% of the operational carbon footprint of 14 kg-CO2,equiv kg-N-1 for urine fertilizer production. Using electricity from renewable sources and applying the proposed N2O mitigation strategies could potentially lower the carbon footprint by 85%. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000835412700001 |
Publication Date |
2022-07-29 |
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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 |
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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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:189599 |
Serial |
7182 |
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Permanent link to this record |
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Author |
Faust, V.; Boon, N.; Ganigué, R.; Vlaeminck, S.E.; Udert, K.M. |
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Title |
Optimizing control strategies for urine nitrification : narrow pH control band enhances process stability and reduces nitrous oxide emissions |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Frontiers in environmental science |
Abbreviated Journal |
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Volume |
11 |
Issue |
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Pages |
1275152-14 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Nitrification is well-suited for urine stabilization. No base dosage is required if the pH is controlled within an appropriate operating range by urine feeding, producing an ammonium-nitrate fertilizer. However, the process is highly dependent on the selected pH set-points and is susceptible to process failures such as nitrite accumulation or the growth of acid-tolerant ammonia-oxidizing bacteria. To address the need for a robust and reliable process in decentralized applications, two different strategies were tested: operating a two-position pH controller (inflow on/off) with a narrow pH control band at 6.20/6.25 (∆pH = 0.05, narrow-pH) vs. a wider pH control band at 6.00/6.50 (∆pH = 0.50, wide-pH). These variations in pH also cause variations in the chemical speciation of ammonia and nitrite and, as shown, the microbial production of nitrite. It was hypothesized that the higher fluctuations would result in greater microbial diversity and, thus, a more robust process. The diversity of nitrifiers was higher in the wide-pH reactor, while the diversity of the entire microbiome was similar in both systems. However, the wide-pH reactor was more susceptible to tested process disturbances caused by increasing pH or temperature, decreasing dissolved oxygen, or an influent stop. In addition, with an emission factor of 0.47%, the nitrous oxide (N2O) emissions from the wide-pH reactor were twice as high as the N2O emissions from the narrow-pH reactor, most likely due to the nitrite fluctuations. Based on these results, a narrow control band is recommended for pH control in urine nitrification. |
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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 |
001087861500001 |
Publication Date |
2023-10-10 |
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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 |
2296-665x |
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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:199585 |
Serial |
8909 |
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Permanent link to this record |
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Author |
Fatima; Oguz, I.C.; Çakir, D.; Hossain, S.; Mohottige, R.; Gulseren, O.; Oncel, N. |
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Title |
On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
120 |
Issue |
120 |
Pages |
095303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires. Published by AIP Publishing. |
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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 |
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Language |
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Wos |
000383978100030 |
Publication Date |
2016-09-01 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
7 |
Open Access |
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Notes |
; We gratefully acknowledge the NSF (Grant No. DMR-1306101) for financial support. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ lucian @ c:irua:137132 |
Serial |
4359 |
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Permanent link to this record |
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Author |
Fatermans, J.; Van Aert, S.; den Dekker, A.J. |
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Title |
The maximum a posteriori probability rule for atom column detection from HAADF STEM images |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
201 |
Issue |
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Pages |
81-91 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
Recently, the maximum a posteriori (MAP) probability rule has been proposed as an objective and quantitative method to detect atom columns and even single atoms from high-resolution high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) images. The method combines statistical parameter estimation and model-order selection using a Bayesian framework and has been shown to be especially useful for the analysis of the structure of beam-sensitive nanomaterials. In order to avoid beam damage, images of such materials are usually acquired using a limited incoming electron dose resulting in a low contrast-to-noise ratio (CNR) which makes visual inspection unreliable. This creates a need for an objective and quantitative approach. The present paper describes the methodology of the MAP probability rule, gives its step-by-step derivation and discusses its algorithmic implementation for atom column detection. In addition, simulation results are presented showing that the performance of the MAP probability rule to detect the correct number of atomic columns from HAADF STEM images is superior to that of other model-order selection criteria, including the Akaike Information Criterion (AIC) and the Bayesian Information Criterion (BIC). Moreover, the MAP probability rule is used as a tool to evaluate the relation between STEM image quality measures and atom detectability resulting in the introduction of the so-called integrated CNR (ICNR) as a new image quality measure that better correlates with atom detectability than conventional measures such as signal-to-noise ratio (SNR) and CNR. |
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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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Language |
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Wos |
000466343800009 |
Publication Date |
2019-02-04 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (No. W.O.010.16N, No. G.0368.15N, No. G.0502.18N). This project has received funding from the European Research Council (ERC) under the European Unions Horizon 2020 research and innovation programme (Grant Agreement No. 770887). |
Approved |
Most recent IF: 2.843 |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:157176 |
Serial |
5153 |
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Permanent link to this record |
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Author |
Fatermans, J.; Romolini, G.; Altantzis, T.; Hofkens, J.; Roeffaers, M.B.J.; Bals, S.; Van Aert, S. |
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Title |
Atomic-scale detection of individual lead clusters confined in Linde Type A zeolites |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
Structural analysis of metal clusters confined in nanoporous materials is typically performed by X-ray-driven techniques. Although X-ray analysis has proved its strength in the characterization of metal clusters, it provides averaged structural information. Therefore, we here present an alternative workflow for bringing the characterization of confined metal clusters towards the local scale. This workflow is based on the combination of aberration-corrected transmission electron microscopy (TEM), TEM image simulations, and powder X-ray diffraction (XRD) with advanced statistical techniques. In this manner, we were able to characterize the clustering of Pb atoms in Linde Type A (LTA) zeolites with Pb loadings as low as 5 wt%. Moreover, individual Pb clusters could be directly detected. The proposed methodology thus enables a local-scale characterization of confined metal clusters in zeolites. This is important for further elucidation of the connection between the structure and the physicochemical properties of such systems. |
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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 |
000809619900001 |
Publication Date |
0000-00-00 |
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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 |
2040-3364 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.7 |
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge the Research Foundation Flanders through project fundings (FWO, G026718N, G050218N, ZW15_09-G0H6316N, and W002221N) and through a PhD scholarship to G.R. (grant 11C6920N), as well as iBOF-21-085 PERSIST. T.A. and S.V.A. acknowledge funding from the University of Antwerp Research fund (BOF). J.H. acknowledges the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as MPI fellow. M.R. acknowledges funding by the KU Leuven Research Fund (C14/19/079). S.B. and S.V.A. acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128−REALNANO and No. 770887−PICOMETRICS). The authors thank Dr. D. Chernyshov for the collection of XRD measurements. |
Approved |
Most recent IF: 6.7 |
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Call Number |
EMAT @ emat @c:irua:189061 |
Serial |
7076 |
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Permanent link to this record |
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Author |
Fatermans, J.; den Dekker, Aj.; Müller-Caspary, K.; Gauquelin, N.; Verbeeck, J.; Van Aert, S. |
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Title |
Atom column detection from simultaneously acquired ABF and ADF STEM images |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
219 |
Issue |
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Pages |
113046 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
In electron microscopy, the maximum a posteriori (MAP) probability rule has been introduced as a tool to determine the most probable atomic structure from high-resolution annular dark-field (ADF) scanning transmission electron microscopy (STEM) images exhibiting low contrast-to-noise ratio (CNR). Besides ADF imaging, STEM can also be applied in the annular bright-field (ABF) regime. The ABF STEM mode allows to directly visualize light-element atomic columns in the presence of heavy columns. Typically, light-element nanomaterials are sensitive to the electron beam, limiting the incoming electron dose in order to avoid beam damage and leading to images exhibiting low CNR. Therefore, it is of interest to apply the MAP probability rule not only to ADF STEM images, but to ABF STEM images as well. In this work, the methodology of the MAP rule, which combines statistical parameter estimation theory and model-order selection, is extended to be applied to simultaneously acquired ABF and ADF STEM images. For this, an extension of the commonly used parametric models in STEM is proposed. Hereby, the effect of specimen tilt has been taken into account, since small tilts from the crystal zone axis affect, especially, ABF STEM intensities. Using simulations as well as experimental data, it is shown that the proposed methodology can be successfully used to detect light elements in the presence of heavy elements. |
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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 |
000594768500005 |
Publication Date |
2020-06-01 |
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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 |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.2 |
Times cited |
9 |
Open Access |
OpenAccess |
|
|
Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (No. W.O.010.16N, No. G.0368.15N, No. G.0502.18N, EOS 30489208). This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 770887). The authors acknowledge funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 823717 – ESTEEM3. The direct electron detector (Medipix3, Quantum Detectors) was funded by the Hercules fund from the Flemish Government. K. M. C. acknowledges funding from the Initiative and Network Fund of the Helmholtz Association (Germany) under contract VH-NG-1317. The authors thank Mark Huijben from the University of Twente (Enschede, The Netherlands) for providing the LiMn2O4 sample used in section 4.2 of this study. N. G., J. V., and S. V. A. acknowledge funding from the University of Antwerp through the Concerted Research Actions (GOA) project Solarpaint and the TOP project. |
Approved |
Most recent IF: 2.2; 2020 IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:169706 |
Serial |
6373 |
|
Permanent link to this record |
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Author |
Fatermans, J.; den Dekker, A. J.; Müller-Caspary, K.; Lobato, I.; O’Leary, C. M.; Nellist, P. D.; Van Aert, S. |
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Title |
Single Atom Detection from Low Contrast-to-Noise Ratio Electron Microscopy Images |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
|
Volume |
121 |
Issue |
5 |
Pages |
056101 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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|
Abstract |
Single atom detection is of key importance to solving a wide range of scientific and technological problems. The strong interaction of electrons with matter makes transmission electron microscopy one of the most promising techniques. In particular, aberration correction using scanning transmission electron microscopy has made a significant step forward toward detecting single atoms. However, to overcome radiation damage, related to the use of high-energy electrons, the incoming electron dose should be kept low enough. This results in images exhibiting a low signal-to-noise ratio and extremely weak contrast, especially for light-element nanomaterials. To overcome this problem, a combination of physics-based model fitting and the use of a model-order selection method is proposed, enabling one to detect single atoms with high reliability. |
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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 |
000440143200007 |
Publication Date |
2018-07-30 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
8.462 |
Times cited |
6 |
Open Access |
OpenAccess |
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|
Notes |
The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through Project fundings (No. WO.010.16N, No. G.0368.15N, No. G.0502.18N). The authors are grateful to M. Van Bael and P. Lievens (KU Leuven) and to L. M. Liz-Marzán (CIC biomaGUNE and Ikerbasque) for providing the samples. This project has received funding from the European Research Council (ERC) under the European Unions Horizon 2020 research and innovation programme (Grant Agreement No. 770887). |
Approved |
Most recent IF: 8.462 |
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|
Call Number |
EMAT @ emat @c:irua:152819 |
Serial |
5004 |
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Permanent link to this record |
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Author |
Fatemi, M.; Azadi, H.; Rafiaani, P.; Taheri, F.; Dubois, T.; Van Passel, S.; Witlox, F. |
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Title |
Effects of supply chain management on tomato export in Iran : application of structural equation modeling |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of food products marketing |
Abbreviated Journal |
|
|
|
Volume |
24 |
Issue |
2 |
Pages |
177-195 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM); Government and Law |
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Abstract |
Although Iran is one of the top 10 countries in the world that produce tomatoes, the level that they are exported into the global market is low. This issue may have resulted from a major problem within tomatoes supply chain management. This paper aims to develop an empirical model of the supply chain management (SCM) of tomato companies. Throughout the reviewed literature, a SCM construct with different six indicators has been developed, including information sharing, long-term relationship, cooperation, quality, flexibility, and delivery. In this study, the influence of the SCM components on tomato export was identified through the use of empirical data that were collected from 20 different tomato companies in Northeast Iran. Using structural equation modeling, the major elements of SCM were found to have significant impacts on the export of tomatoes. The results also showed that information sharing, cooperation, flexibility, quality, and delivery had significant positive effects on the export of tomatoes. |
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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 |
000424803000004 |
Publication Date |
2017-03-06 |
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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 |
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Series Issue |
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Edition |
|
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ISSN |
1045-4446 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
2 |
Open Access |
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|
Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:149044 |
Serial |
6192 |
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Permanent link to this record |
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Author |
Farvacque, J.L.; Bougrioua, Z.; Moerman, I.; Van Tendeloo, G.; Lebedev, O. |
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Title |
Role of the defect microstructure on the electrical transport properties in undoped and Si-doped GaN grown by LP-MOVPE |
Type |
A1 Journal article |
|
Year |
1999 |
Publication |
Physica: B : condensed matter
T2 – 20th International Conference on Defects in Semiconductors (ICDS-20), JUL 26-30, 1999, BERKELEY, CA |
Abbreviated Journal |
Physica B |
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|
Volume |
273-4 |
Issue |
|
Pages |
140-143 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Experimental results show that the room-temperature carrier mobility in bulk layers of undoped or Si-doped GaN grown by LP-MOVPE on sapphire substrate shows a sudden increase as soon as the carrier density exceeds a critical value of about 10(18) cm(-3). We show that such a behavior can be theoretically reproduced by assuming that the columnar structure i.e. the dislocation microstructure is responsible for internal electronic barriers. (C) 1999 Elsevier Science B.V. All rights reserved. |
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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 |
000084452200031 |
Publication Date |
2002-07-26 |
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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 |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
1.386 |
Times cited |
5 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.386; 1999 IF: 0.725 |
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Call Number |
UA @ lucian @ c:irua:102892 |
Serial |
2925 |
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Permanent link to this record |
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Author |
Farias, G.A.; Peeters, F.M. |
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Title |
Polaron impurity states on a liquid helium film |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
55 |
Issue |
|
Pages |
3763-3768 |
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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 |
A1997WJ87500071 |
Publication Date |
0000-00-00 |
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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 |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.836; 1997 IF: NA |
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Call Number |
UA @ lucian @ c:irua:19288 |
Serial |
2669 |
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Permanent link to this record |
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Author |
Farias, G.A.; Peeters, F.M. |
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Title |
Structural transitions in a finite classical two-dimensional system |
Type |
A1 Journal article |
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Year |
1996 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
100 |
Issue |
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Pages |
711-715 |
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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 |
New York, N.Y. |
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Wos |
A1996VU47000008 |
Publication Date |
2002-07-26 |
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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 |
0038-1098; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.897 |
Times cited |
25 |
Open Access |
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Notes |
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Approved |
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Call Number |
UA @ lucian @ c:irua:15788 |
Serial |
3269 |
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Permanent link to this record |
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Author |
Farias, G.A.; da Costa, W.B.; Peeters, F.M. |
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Title |
Acoustical polarons and bipolarons in two dimensions |
Type |
A1 Journal article |
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Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
54 |
Issue |
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Pages |
12835-12840 |
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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 |
A1996VT68200039 |
Publication Date |
2002-07-27 |
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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 |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
30 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:15790 |
Serial |
54 |
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Permanent link to this record |
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Author |
Farias, G.A.; Costa Filho, R.N.; Peeters, F.M.; Studart, N. |
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Title |
Polaron effects in electron channels on a helium film |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
64 |
Issue |
|
Pages |
104301 |
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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 |
000170978400033 |
Publication Date |
2002-07-27 |
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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 |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
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Call Number |
UA @ lucian @ c:irua:37285 |
Serial |
2666 |
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Permanent link to this record |
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Author |
Faraji, M.; Bafekry, A.; Gogova, D.; Hoat, D.M.; Ghergherehchi, M.; Chuong, N.V.; Feghhi, S.A.H. |
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Title |
Novel two-dimensional ZnO₂, CdO₂ and HgO₂ monolayers: a first-principles-based prediction |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
New Journal Of Chemistry |
Abbreviated Journal |
New J Chem |
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Volume |
45 |
Issue |
|
Pages |
9368-9374 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this paper, the existence of monolayers with the chemical formula XO2, where X = Zn, Cd, and Hg with hexagonal and tetragonal lattice structures is theoretically predicted by means of first principles calculations. Through cohesive energy calculation and phonon dispersion simulation, it has been proven that the two-dimensional XO2 monolayers proposed are energetically and dynamically stable suggesting their potential experimental realization. Our detailed study demonstrates that these novel newly predicted materials are half-metals and dilute magnetic semiconductors, and they exhibit magnetism in the ground state. The half-metallic character could find many applications in electronic and spintronic devices. Research into the magnetic properties revealed here can enrich theoretical knowledge in this area and provide more potential candidates for XO2 2D-based materials and van der Waals heterostructures. |
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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 |
000645671700001 |
Publication Date |
2021-04-16 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
1144-0546 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.269 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 3.269 |
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Call Number |
UA @ admin @ c:irua:178245 |
Serial |
7006 |
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Permanent link to this record |
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Author |
Faraji, M.; Bafekry, A.; Fadlallah, M.M.; Molaei, F.; Hieu, N.N.; Qian, P.; Ghergherehchi, M.; Gogova, D. |
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Title |
Surface modification of titanium carbide MXene monolayers (Ti₂C and Ti₃C₂) via chalcogenide and halogenide atoms |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
23 |
Issue |
28 |
Pages |
15319-15328 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Inspired by the recent successful growth of Ti2C and Ti3C2 monolayers, here, we investigate the structural, electronic, and mechanical properties of functionalized Ti2C and Ti3C2 monolayers by means of density functional theory calculations. The results reveal that monolayers of Ti2C and Ti3C2 are dynamically stable metals. Phonon band dispersion calculations demonstrate that two-surface functionalization of Ti2C and Ti(3)C(2)via chalcogenides (S, Se, and Te), halides (F, Cl, Br, and I), and oxygen atoms results in dynamically stable novel functionalized monolayer materials. Electronic band dispersions and density of states calculations reveal that all functionalized monolayer structures preserve the metallic nature of both Ti2C and Ti3C2 except Ti2C-O-2, which possesses the behavior of an indirect semiconductor via full-surface oxygen passivation. In addition, it is shown that although halide passivated Ti3C2 structures are still metallic, there exist multiple Dirac-like cones around the Fermi energy level, which indicates that semi-metallic behavior can be obtained upon external effects by tuning the energy of the Dirac cones. In addition, the computed linear-elastic parameters prove that functionalization is a powerful tool in tuning the mechanical properties of stiff monolayers of bare Ti2C and Ti3C2. Our study discloses that the electronic and structural properties of Ti2C and Ti3C2 MXene monolayers are suitable for surface modification, which is highly desirable for material property engineering and device integration. |
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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 |
000672406800001 |
Publication Date |
2021-06-23 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:179809 |
Serial |
7027 |
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Permanent link to this record |
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Author |
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. |
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Title |
Comment on “Misinterpretation of the Shuttleworth equation” |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Scripta Materialia |
Abbreviated Journal |
Scripta Materialia |
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Volume |
250 |
Issue |
|
Pages |
116186 |
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Keywords |
A1 Journal Article; 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 |
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Editor |
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Language |
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Wos |
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Publication Date |
2024-05-24 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
1359-6462 |
ISBN |
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Additional Links |
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Impact Factor |
6 |
Times cited |
|
Open Access |
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Notes |
Research Foundation Flanders; |
Approved |
Most recent IF: 6; 2024 IF: 3.747 |
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Call Number |
UA @ lucian @ CMT |
Serial |
9116 |
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Permanent link to this record |
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Author |
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. |
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Title |
Capillary Condensation of Water in Graphene Nanocapillaries |
Type |
A1 Journal Article |
|
Year |
2024 |
Publication |
Nano Letters |
Abbreviated Journal |
Nano Lett. |
|
|
Volume |
24 |
Issue |
18 |
Pages |
5625-5630 |
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Keywords |
A1 Journal Article; CMT |
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Abstract |
Recent experiments have revealed that the macroscopic Kelvin equation remains surprisingly accurate even for nanoscale capillaries. This phenomenon was so far explained by the oscillatory behavior of the solid−liquid interfacial free energy. We here demonstrate thermodynamic and capillarity inconsistencies with this explanation. After revising the Kelvin equation, we ascribe its validity at nanoscale confinement to the effect of disjoining pressure.
To substantiate our hypothesis, we employed molecular dynamics simulations to evaluate interfacial heat transfer and wetting properties. Our assessments unveil a breakdown in a previously established proportionality between the work of adhesion and the Kapitza conductance at capillary heights below 1.3 nm, where the dominance of the work of adhesion shifts primarily from energy to entropy. Alternatively, the peak density of the initial water layer can effectively probe the work of adhesion. Unlike under bulk conditions, high confinement renders the work of adhesion entropically unfavorable. |
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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 |
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Publication Date |
2024-05-08 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
1530-6984 |
ISBN |
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Additional Links |
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Impact Factor |
10.8 |
Times cited |
|
Open Access |
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Notes |
This work was supported by Research Foundation-Flanders (FWO, project No. G099219N). The computational resources used in this work were provided by the HPC core facility CalcUA of the University of Antwerp, and the Flemish Supercomputer Center (VSC), funded by FWO and the Flemish Government. |
Approved |
Most recent IF: 10.8; 2024 IF: 12.712 |
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Call Number |
UA @ lucian @ |
Serial |
9123 |
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Permanent link to this record |
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Author |
Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. |
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Title |
Indentation of graphene nano-bubbles |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
14 |
Issue |
15 |
Pages |
5876-5883 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics simulations are used to investigate the effect of an AFM tip when indenting graphene nano bubbles filled by a noble gas (i.e. He, Ne and Ar) up to the breaking point. The failure points resemble those of viral shells as described by the Foppl-von Karman (FvK) dimensionless number defined in the context of elasticity theory of thin shells. At room temperature, He gas inside the bubbles is found to be in the liquid state while Ne and Ar atoms are in the solid state although the pressure inside the nano bubble is below the melting pressure of the bulk. The trapped gases are under higher hydrostatic pressure at low temperatures than at room temperature. |
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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 |
000776763000001 |
Publication Date |
2022-03-30 |
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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 |
2040-3364; 2040-3372 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.7 |
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.7 |
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Call Number |
UA @ admin @ c:irua:187924 |
Serial |
7171 |
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Permanent link to this record |
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Author |
Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. |
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Title |
Cation-controlled permeation of charged polymers through nanocapillaries |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
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Volume |
107 |
Issue |
3 |
Pages |
034501-34510 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations. |
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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 |
000955986000006 |
Publication Date |
2023-03-17 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
2470-0053 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.4 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.4; 2023 IF: 2.366 |
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Call Number |
UA @ admin @ c:irua:196089 |
Serial |
7586 |
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Permanent link to this record |
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Author |
Fanidis, C.; van Dyck, D.; van Landuyt, J. |
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Title |
Inelastic scattering of high-energy electrons in a crystal in thermal equilibrium with the environment: 1: theoretical framework |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
41 |
Issue |
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Pages |
55-64 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
A1992HX68100005 |
Publication Date |
2002-10-18 |
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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 |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.436 |
Times cited |
17 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:4092 |
Serial |
1608 |
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Permanent link to this record |
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Author |
Fanidis, C.; van Dyck, D.; van Landuyt, J. |
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Title |
Inelastic scattering of high-energy electrons in a crystal in thermal equilibrium with the environment: part 2: solution of the equations and applications to concrete cases |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
48 |
Issue |
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Pages |
133-164 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
A1993KM78800013 |
Publication Date |
0000-00-00 |
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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 |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.436 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:6782 |
Serial |
1609 |
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Permanent link to this record |
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Author |
Fang, W.; Wang, X.; Li, S.; Hao, Y.; Yang, Y.; Zhao, W.; Liu, R.; Li, D.; Li, C.; Gao, X.; Wang, L.; Guo, H.; Yi, Y. |
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Title |
Plasma-catalytic one-step steam reforming of CH₄ to CH₃OH and H₂ promoted by oligomerized [Cu-O-Cu] species on zeolites |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Green chemistry : cutting-edge research for a greener sustainable future |
Abbreviated Journal |
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Volume |
26 |
Issue |
9 |
Pages |
5150-5154 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Oligomerized [Cu-O-Cu] species are reported to be efficient in promoting plasma catalytic one-step steam reforming of methane to methanol and hydrogen, achieving 6.8% CH4 conversion and 73.1% CH3OH selectivity without CO2. |
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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 |
001195192800001 |
Publication Date |
2024-04-02 |
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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 |
1463-9262; 1463-9270 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
9.8 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 9.8; 2024 IF: 9.125 |
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Call Number |
UA @ admin @ c:irua:205514 |
Serial |
9165 |
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Permanent link to this record |
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Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
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Title |
Stability and structures of the CFCC-TmC phases : a first-principles study |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
51 |
Issue |
1 |
Pages |
146-150 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed. |
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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 |
000296214300020 |
Publication Date |
2011-08-29 |
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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 |
0927-0256; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.292 |
Times cited |
18 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.292; 2012 IF: 1.878 |
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Call Number |
UA @ lucian @ c:irua:93277 |
Serial |
3119 |
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Permanent link to this record |
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Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
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Title |
Stability and structures of the \epsilon-phases of iron nitrides and iron carbides from first principles |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
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Volume |
64 |
Issue |
3 |
Pages |
296-299 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
First-principles calculations were performed for the ε-phases and other iron carbides/nitrides with hexagonal close-packed Fe sublattices. Although these nitrides/carbides have similar crystal structures, they exhibit different chemical and physical properties. Relative to α-Fe, graphite and N2, all the ε-type nitrides are stable, while all the carbides are metastable. The lattice parameters of the ε-iron nitrides vary differently from those of the ε-carbides, as a function of the concentration of X (Xdouble bond; length as m-dashN, C). The structural relationships of ε-Fe2X with η-Fe2X and ζ-Fe2X are discussed. |
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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 |
Oxford |
Editor |
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Language |
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Wos |
000285323300022 |
Publication Date |
2010-09-02 |
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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 |
1359-6462; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.747 |
Times cited |
29 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.747; 2011 IF: 2.699 |
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Call Number |
UA @ lucian @ c:irua:86974 |
Serial |
3120 |
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Permanent link to this record |
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Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
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Title |
Structure and stability of Fe2 phases from density-functional theory calculations |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
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Volume |
63 |
Issue |
4 |
Pages |
418-421 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Fe(2)C plays a crucial role in the precipitation of iron carbides. Jack's structural models for epsilon-Fe(2)C, and non-stoichiometric epsilon-Fe(2.4)C, are analyzed using first-principles calculations. Several new configurations of epsilon-Fe(2)C with even higher stability are found. We show how epsilon-Fe(2)C transforms into eta-Fe(2)C, and address the structural relationships with the chi-Fe(5)C(2), theta-Fe(3)C and Fe(7)C(3) phases. The relative occurrence of these phases in steel, as well as their probable evolution during tempering of quenched steels, is discussed. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
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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 |
Oxford |
Editor |
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Language |
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Wos |
000279496000017 |
Publication Date |
2010-05-03 |
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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 |
1359-6462; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.747 |
Times cited |
32 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.747; 2010 IF: 2.820 |
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Call Number |
UA @ lucian @ c:irua:95591 |
Serial |
3299 |
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Permanent link to this record |