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Author |
Satyawali, Y.; Seuntjens, P.; Van Roy, S.; Joris, I.; Vangeel, S.; Dejonghe, W.; Vanbroekhoven, K. |
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Title |
The addition of organic carbon and nitrate affects reactive transport of heavy metals in sandy aquifers |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of contaminant hydrology |
Abbreviated Journal |
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Volume |
123 |
Issue  |
3/4 |
Pages |
83-93 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Organic carbon introduction in the soil to initiate remedial measures, nitrate infiltration due to agricultural practices or sulphate intrusion owing to industrial usage can influence the redox conditions and pH, thus affecting the mobility of heavy metals in soil and groundwater. This study reports the fate of Zn and Cd in sandy aquifers under a variety of plausible in-situ redox conditions that were induced by introduction of carbon and various electron acceptors in column experiments. Up to 100% Zn and Cd removal (from the liquid phase) was observed in all the four columns, however the mechanisms were different. Metal removal in column K1 (containing sulphate), was attributed to biological sulphate reduction and subsequent metal precipitation (as sulphides). In the presence of both nitrate and sulphate (K2), the former dominated the process, precipitating the heavy metals as hydroxides and/or carbonates. In the presence of sulphate, nitrate and supplemental iron (Fe(OH)(3)) (K3), metal removal was also due to precipitation as hydroxides and/or carbonates. In abiotic column, K4, (with supplemental iron (Fe(OH)(3)), but no nitrate), cation exchange with soil led to metal removal. The results obtained were modeled using the reactive transport model PHREEQC-2 to elucidate governing processes and to evaluate scenarios of organic carbon, sulphate and nitrate inputs. (C) 2010 Elsevier B.V. All rights reserved. |
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Wos |
000288979100001 |
Publication Date |
2010-12-29 |
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ISSN |
0169-7722 |
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UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:105591 |
Serial |
7419 |
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Author |
Kontozova-Deutsch, V.; Deutsch, F.; Godoi, R.H.M.; Spolnik, Z.; Wei, W.; Van Grieken, R. |
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Title |
Application of EPMA and XRF for the investigation of particulate pollutants in the field of cultural heritage |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Microchimica acta |
Abbreviated Journal |
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Volume |
161 |
Issue |
3/4 |
Pages |
465-469 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000256175600029 |
Publication Date |
2008-01-30 |
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Edition |
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ISSN |
0026-3672; 1436-5073 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Call Number |
UA @ admin @ c:irua:68798 |
Serial |
7474 |
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Author |
Semenov, M.Y.; Spolnik, Z.; Van Grieken, R. |
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Title |
Assessing the size-dependent chemical speciation of soil particles using electron probe X-ray microanalysis |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Microchimica acta |
Abbreviated Journal |
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Volume |
157 |
Issue |
3/4 |
Pages |
121-126 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000244691600001 |
Publication Date |
2006-07-26 |
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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 |
0026-3672; 1436-5073 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:63400 |
Serial |
7498 |
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Author |
Rojas, C.M.; Injuk, J.; Van Grieken, R.E.; Maenhaut, W. |
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Title |
Atmospheric particulate element concentrations and deposition rates in French Polynesia |
Type |
A3 Journal article |
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Year |
2000 |
Publication |
Journal de recherche océanographique |
Abbreviated Journal |
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Volume |
25 |
Issue |
3/4 |
Pages |
74-86 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISSN |
0397-5347 |
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UA library record |
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no |
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Call Number |
UA @ admin @ c:irua:32610 |
Serial |
7529 |
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Author |
Harlay, J.; Borges, A.V.; van der Zee, C.; Delille, B.; Godoi, R.H.M.; Schiettecatte, L.-S.; Roevros, N.; Aerts, K.; Lapernat, P.-E.; Rebreanu, L.; Groom, S.; Daro, M.-H.; Van Grieken, R.; Chou, L. |
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Title |
Biogeochemical study of a coccolithophore bloom in the northern Bay of Biscay (NE Atlantic Ocean) in June 2004 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Progress in oceanography |
Abbreviated Journal |
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Volume |
86 |
Issue |
3/4 |
Pages |
317-336 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The present paper synthesizes data obtained during a multidisciplinary cruise carried out in June 2004 at the continental margin of the northern Bay of Biscay. The data-set allows to describe the different stages of a coccolithophore bloom dominated by Emiliania huxleyi. The cruise was carried out after the main spring phytoplankton bloom that started in mid-April and peaked in mid-May. Consequently, low phosphate (PO4 < 0.2 μM) and silicate (DSi < 2.0 μM) concentrations, low partial pressure of carbon dioxide (pCO2) and high calcite saturation degree in surface waters combined with thermal stratification, probably favoured the blooming of coccolithophores. During the period of the year our cruise was carried out, internal tides induce enhanced vertical mixing at the continental shelf break leading to the injection of inorganic nutrients to surface waters that probably trigger the bloom. The bloom developed as the water-column stratified and as the water mass was advected over the continental shelf, following the general residual circulation in the area. The most developed phase of the bloom was sampled in a remote sensed high reflectance (HR) patch over the continental shelf that was characterized by low chlorophyll-a (Chl-a) concentration in surface waters (<1.0 μg L−1), high particulate inorganic carbon (PIC) concentration (not, vert, similar8 μmol L−1) and coccolithophore abundance up to 57 × 106 cells L−1. Transparent exopolymer particles (TEP) concentrations ranged between 15 and 75 μg C L−1 and carbon content of TEP represented up to 26% of the particulate organic carbon (POC; maximum concentration of 15.5 μmol L−1 in the upper 40 m). Integrated primary production (PP) ranged between 210 and 680 mg C m−2 d−1 and integrated calcification (CAL) ranged between 14 and 140 mg C m−2 d−1, within the range of PP and CAL values previously reported during coccolithophore blooms in open and shelf waters of the North Atlantic Ocean. Bacterial protein production (BPP) measurements in surface waters (0.30.7 μg C L−1 h−1) were much higher than those reported during early phases of coccolithophore blooms in natural conditions, but similar to those during peak and declining coocolithophorid blooms reported in mesocosms. Total alkalinity anomalies with respect to conservative mixing (ΔTA) down to −49 μmol kg−1 are consistent with the occurrence of biogenic precipitation of calcite, while pCO2 remained 15107 μatm lower than atmospheric equilibrium (372 μatm). The correlation between ΔTA and pCO2 suggested that pCO2 increased in part due to calcification, but this increase was insufficient to overcome the background under-saturation of CO2. This is related to the biogeochemical history of the water masses due to net carbon fixation by the successive phytoplankton blooms in the area prior to the cruise, hence, the investigated area remained a sink for atmospheric CO2 despite calcification. |
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Wos |
000281937800001 |
Publication Date |
2010-04-20 |
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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 |
0079-6611 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:84236 |
Serial |
7560 |
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Author |
Roekens, E.; Komy, Z.; Leysen, L.; Veny, P.; Van Grieken, R. |
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Title |
Chemistry of precipitation near a limestone building |
Type |
A1 Journal article |
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Year |
1988 |
Publication |
Water, air and soil pollution |
Abbreviated Journal |
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Volume |
38 |
Issue |
3/4 |
Pages |
273-282 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
A total of 82 samples of wet and total deposition were sampled near the limestone cathedral at Mechelen, Belgium, which is presently being affected seriously by air pollution, and at a reference site. Most of these samples were analyzed for 10 major and 7 trace ions in solution and for 15 elements in suspension. It appeared that calcite, released from the building, effectively neutralizes the rainwater in the near vicinity and produces high Ca and bicarbonate concentrations. Heavy metal concentrations are hardly affected by the building. |
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Publication Date |
2014-08-25 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0049-6979; 1573-2932 |
ISBN |
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Additional Links |
UA library record |
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no |
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Call Number |
UA @ admin @ c:irua:116806 |
Serial |
7663 |
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Author |
Brenker, F.E.; Vincze, L.; Vekemans, B.; Nasdala, L.; Stachel, T.; Vollmer, C.; Kersten, M.; Somogyi, A.; Adams, F.; Joswig, W.; Harris, J.W. |
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Title |
Detection of a Ca-rich lithology in the Earth's deep (> 300 km) convecting mantle |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Earth and planetary science letters |
Abbreviated Journal |
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Volume |
236 |
Issue |
3/4 |
Pages |
579-587 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Wos |
000232047200003 |
Publication Date |
2005-07-07 |
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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 |
0012-821x; 1385-013x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:54580 |
Serial |
7772 |
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Author |
Godoi, A.F.L.; Sawada, E.Y.; de Marchi, M.R.R.; Van Grieken, R.; Godoi, R.H.M. |
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Title |
Determination of BTEX by GCMS in air of offset printing plants: comparison between conventional and ecological inks |
Type |
A3 Journal article |
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Year |
2009 |
Publication |
Water, air, and soil pollution : focus |
Abbreviated Journal |
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Volume |
9 |
Issue |
3/4 |
Pages |
163-169 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The use of inks containing organic solvents by the offset printing process implies in the release of volatile organic compounds to the work environment. Many of these compounds such as benzene, toluene, ethylbenzene, and the xylene isomers (well known by the acronym BTEX) are extremely toxic. In this study, the BTEX concentrations were determined in two different printing plants that use distinct types of inks: the conventional and the so-called ecological, which is manufactured based on vegetal oil. Concentration ranges were 4384, 153,480, 2133, 5459, and 2236 μg m−3 for benzene, toluene, ethylbenzene, m + p-xylene, and o-xylene, respectively, for the conventional printing plant. At the ecological printing plant, concentration ranges were below limit of detection (<LD)-31, <LD-618, <LD-1,690, <LD-10,500, <LD-3,360 μg m−3 for benzene, toluene, ethylbenzene, m + p-xylene, and o-xylene, respectively. BTEX concentrations are lower at the ecological printing environment than in the conventional, where mineral oil-based inks are used. However, the worker who cleans the printing matrices is exposed to high concentrations of ethylbenzene and xylenes, due probably to the cleaning products composition (containing high amounts of BTEX). Although the BTEX concentrations found in both printing work environments were below the limits considered by the Brazilian Law for Activities and Unhealthy Operations (NR-15), the exposure to such vapors characterizes risk to the workers health for some of the evaluated samples, mainly the personal ones. |
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Wos |
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Publication Date |
2009-09-29 |
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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 |
1567-7230 |
ISBN |
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Additional Links |
UA library record |
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Open Access |
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Notes |
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no |
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Call Number |
UA @ admin @ c:irua:80493 |
Serial |
7775 |
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Author |
Ramesh, R.; Subramanian, V.; Van Grieken, R.; Van 't dack, L. |
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Title |
The elemental chemistry of sediments in the Krishna River basin, India |
Type |
A1 Journal article |
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Year |
1989 |
Publication |
Chemical geology |
Abbreviated Journal |
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Volume |
74 |
Issue |
3/4 |
Pages |
331-341 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Composition of bed, core and suspended sediments collected from Krishna River sediments were studied and the observations are discussed in the light of other Indian rivers, world's average river suspended particles, surficial rock and soils. The contents of V, Cr, Co, Ni, Cu and Zn in the suspended particles are higher in the Krishna River than in the world's average, indicating pollution inputs. Suspended sediments are enriched (5 to 10 times) in all the elements considered relative to bed sediments. Downstream profile and metal/Al ratios of the elements indicate that the mobility of elements within the basin is controlled by basin geology, size and mineralogical characteristics. Good correlations observed for a number of elements point out to their common sink in the clay fraction of the sediments. There is no systematic variation with depth for the major elements and most of the elements are considerably higher compared to estuarine or Bay of Bengal sediments. |
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Wos |
A1989T007000012 |
Publication Date |
2003-08-06 |
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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 |
0009-2541 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:111482 |
Serial |
7885 |
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Author |
Godoi, R.H.M.; Avigo, D.; Campos, V.D.; Tavares, T.M.; de Marchi, M.R.R.; Van Grieken, R.; Godoi, A.F.L. |
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Title |
Indoor air quality assessment of elementary schools in Curitiba, Brazil |
Type |
A3 Journal article |
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Year |
2009 |
Publication |
Water, air, and soil pollution : focus |
Abbreviated Journal |
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Volume |
9 |
Issue |
3/4 |
Pages |
171-177 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The promotion of good indoor air quality in schools is of particular public concern for two main reasons: (1) school-age children spend at least 30% of their time inside classrooms and (2) indoor air quality in urban areas is substantially influenced by the outdoor pollutants, exposing tenants to potentially toxic substances. Two schools in Curitiba, Brazil, were selected to characterize the gaseous compounds indoor and outdoor of the classrooms. The concentrations of benzene, toluene, ethylbenzene, and the isomers xylenes (BTEX); NO2; SO2; O3; acetic acid (HAc); and formic acid (HFor) were assessed using passive diffusion tubes. BTEX were analyzed by gas chromatographyion trap mass spectrometry and other collected gasses by ion chromatography. The concentration of NO2 varied between 9.5 and 23 µg m−3, whereas SO2 showed an interval from 0.1 to 4.8 µg m−3. Within the schools, BTEX concentrations were predominant. Formic and acetic acids inside the classrooms revealed intermediate concentrations of 1.5 µg m−3 and 1.2 µg m−3, respectively. |
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Wos |
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Publication Date |
2009-09-29 |
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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 |
1567-7230 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:80494 |
Serial |
8081 |
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| Permanent link to this record |
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Author |
Kontozova-Deutsch, V.; Godoi, R.H.M.; Worobiec, A.; Spolnik, Z.; Krata, A.; Deutsch, F.; Van Grieken, R. |
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Title |
Investigation of gaseous and particulate air pollutants at the Basilica Saint-Urbain in Troyes, related to the preservation of the medieval stained glass windows |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Microchimica acta |
Abbreviated Journal |
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Volume |
162 |
Issue |
3/4 |
Pages |
425-432 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Wos |
000258194900015 |
Publication Date |
2008-02-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-3672; 1436-5073 |
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 |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:70072 |
Serial |
8122 |
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| Permanent link to this record |
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Author |
Niessner, R.; Klockow, D.; Bruynseels, F.; Van Grieken, R. |
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Title |
Investigation of heterogeneous reactions of PAH's on particle surfaces using laser microprobe mass analysis |
Type |
A1 Journal article |
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Year |
1985 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
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Volume |
22 |
Issue |
3/4 |
Pages |
281-295 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Artificially generated NaCl particles were coated with PAH's by using a condensation technique. These particles were exposed to reactive gases like ozone, bromine and nitrogen dioxide. The original as well as the exposed particles were investigated by fluorimetric analysis and by LAMMA (Laser Microprobe Mass Analysis) in the desorption mode, which allows the evaporation and characterization of surfaces of single particles. The results are interpreted in terms of possible heterogeneous atmospheric reactions. The reactivity of the considered PAH's towards nitrogen dioxide was found to be negligible. The structure of the reaction products formed with ozone was partially elucidated. |
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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 |
A1985AZE2300009 |
Publication Date |
2007-07-07 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0306-7319 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:116576 |
Serial |
8124 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Sholkovitz, E.R.; Van Grieken, R.; Eisma, D. |
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| |
Title |
The major-element composition of suspended matter in the Zaire river and estuary |
Type |
A1 Journal article |
| |
Year |
1978 |
Publication |
Netherlands journal of sea research |
Abbreviated Journal |
|
|
| |
Volume |
12 |
Issue |
3/4 |
Pages |
407-413 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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 |
|
Wos |
|
Publication Date |
2003-08-07 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0077-7579; 1873-1406 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:116608 |
Serial |
8195 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Deutsch, F.; Vankerkom, J.; Janssen, L.; Janssen, S.; Bencs, L.; Van Grieken, R.; Fierens, F.; Dumont, G.; Mensink, C. |
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| |
Title |
Modelling concentrations of airborne primary and secondary PM10 and PM2.5 with the BelEUROS-model in Belgium |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Ecological modelling |
Abbreviated Journal |
|
|
| |
Volume |
217 |
Issue |
3/4 |
Pages |
230-239 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
The Eulerian Chemistry-Transport Model BelEUROS was used to calculate the concentrations of airborne PM10 and PM2.5 over Europe. Both primary as well as secondary particulate matter in the respirable size-range was taken into account. Especially PM2.5 aerosols are often formed in the atmosphere from gaseous precursor compounds. Comprehensive computer codes for the calculation of gas phase chemical reactions and thermodynamic equilibria between compounds in the gas-phase and the particulate phase had been implemented into the BelEUROS-model. Calculated concentrations of PM10 and PM2.5 are compared to observations, including both the spatial and daily, temporal distribution of particulate matter in Belgium for certain monitoring locations and periods. The concentrations of the secondary compounds ammonium, nitrate and sulfate have also been compared to observed values. BeIEUROS was found to reproduce the observed concentrations rather well. The model was applied to assess the contribution of emissions derived from the sector agriculture in Flanders, the northern part of Belgium, to PM10- and PM2.5-concentrations. The results demonstrate the importance of ammonia emissions in the formation of secondary particulate matter. Hence, future European emission abatement policy should consider more the role of ammonia in the formation of secondary particles |
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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 |
000259842900004 |
Publication Date |
2008-07-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3800 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:70073 |
Serial |
8268 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Dekov, V.; van Alsenoy, V.; Onar, N.; van Put, A.; Van Grieken, R. |
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| |
Title |
Partitioning of heavy metals between estuarine sediments and dissolved phase as a function of salinity, pH and time (Scheldt estuary) |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Geologica Balcanica |
Abbreviated Journal |
|
|
| |
Volume |
30 |
Issue |
3/4 |
Pages |
65-76 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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 |
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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 |
0324-0894 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:36086 |
Serial |
8362 |
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| Permanent link to this record |
| |
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| |
|
Author |
Worobiec, A.; Samek, L.; Spolnik, Z.; Kontozova, V.; Stefaniak, E.; Van Grieken, R. |
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| |
Title |
Study of the winter and summer changes of the air composition in the church of Szalowa, Poland, related to conservation |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Microchimica acta |
Abbreviated Journal |
|
|
| |
Volume |
156 |
Issue |
3/4 |
Pages |
253-261 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
|
| |
Abstract |
The St. Michael Archangel's Church in Szalowa, Poland, was selected for closer investigation with respect to the indoor/outdoor air exchange and its influence on the air quality and work arts preservation. Chemical composition, size and abundance of particulate matter and concentration of gases NO2, SO2, O-3 inside and outside the church were determined. To study seasonal variation of the weather condition (temperature, inversion level, wind direction) and the influence of seasonal sources of the air pollution (like heating of the nearby houses), samples were collected in winter and summer time. It was stated that suspended particulate matter inside the wooden church has in general an outdoor source. Several groups of particles were distinguished such as the organic ones, soil dust, nitrates and sulphates. In case of organic and soil dust particles, the concentration inside was higher than outside. From the results, in comparison to literature data, one can conclude that accumulation of particulate suspended matter in the church is more intense than in other types of buildings. Gaseous pollutants were detected but their concentration was negligible. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000242830500007 |
Publication Date |
2006-06-05 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0026-3672; 1436-5073 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:61091 |
Serial |
8609 |
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| Permanent link to this record |
| |
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| |
|
Author |
Seftel, E.M.; Popovici, E.; Mertens, M.; Stefaniak, E.A.; Van Grieken, R.; Cool, P.; Vansant, E.F. |
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| |
Title |
SnIV-containing layered double hydroxides as precursors for nano-sized ZnO/SnO2 photocatalysts |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
|
|
| |
Volume |
84 |
Issue |
3/4 |
Pages |
699-705 |
|
| |
Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Sn4+-containing LDH was prepared using the co-precipitation method at constant pH, and characterized using X-ray diffraction, UVvis diffuse reflectance spectroscopy and TG/DTG methods. The obtained product was further exposed to different thermal treatments in order to obtain nano-sized coupled ZnO/SnO2 systems with enhanced photocatalytic performances than the ones obtained by mixing the two semiconductor oxides. The formation of a well-defined ZnO/SnO2 system and the crystallite size, fully investigated using XRD, micro-Raman scattering and UVvis DR techniques, were found to be influenced by the nature of the precursors and the calcination temperature. The photocatalytic activity of the ZnO/SnO2 systems, evaluated for the photodegradation of methyl orange (MO) dye, was studied as a function of the initial pH, catalyst loading and the calcination temperature. The metal dispersion supplied by layered structures proved to be an advantage when preparing coupled ZnO/SnO2 systems, the photocatalytic activity being 2.3 times higher comparing with the physical mixtures performances. The maximum photocatalytic activity of the coupled ZnO/SnO2 system having a layered precursor was observed when using neutral pH, at a catalyst loading of 1 g/L calcined at 600 °C for 4 h. |
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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 |
000261123600046 |
Publication Date |
2008-06-19 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0926-3373 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:72020 |
Serial |
8651 |
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| Permanent link to this record |
| |
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| |
|
Author |
Martin, J.-M.; Thomas, A.J.; Van Grieken, R.E. |
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| |
Title |
Trace element composition of Zaire suspended sediments |
Type |
A1 Journal article |
| |
Year |
1978 |
Publication |
Netherlands journal of sea research |
Abbreviated Journal |
|
|
| |
Volume |
12 |
Issue |
3/4 |
Pages |
414-420 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
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 |
|
Wos |
|
Publication Date |
2003-08-07 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0077-7579; 1873-1406 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:116609 |
Serial |
8688 |
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| Permanent link to this record |
| |
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| |
|
Author |
Godoi, R.H.M.; Braga, D.M.; Makarovska, Y.; Alfoldy, B.; Carvalho Filho, M.A.S.; Van Grieken, R.; Godoi, A.F.L. |
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| |
Title |
Inhable particulate matter from lime industries: chemical composition and deposition in human respiratory tract |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
|
|
| |
Volume |
42 |
Issue |
30 |
Pages |
7027-7033 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Air pollution caused by the lime production industry has become a serious problem with potential effects to human health, especially in developing countries. Colombo is a city included in the Metropolitan Region of Curitiba (capital of Parana State) in South Brazil. In Colombo city, a correlation has been shown between the lime production and the number of persons who need respiratory treatment in a local hospital, indicating that the lime industry can cause deleterious health effects in the exposed workers and population. This research was conducted to deal firstly with the characterization of the size distribution and chemical compositions of particles emitted from lime manufacturing and subsequently to assess the deposition rate of inhaled dolomitic lime aerosol particles in the human respiratory tract. The elemental chemical composition and particle size of individual atmospheric particles was quantitatively elucidated, including low-Z components like C, N and 0, as well as higher-Z elements, using automated electron probe microanalysis. Information concerning the bulk composition is provided by energy-dispersive X-ray detection. The majority of the respirable particulate matter identified was composed of aluminosilicates, Ca-Mg oxides, carbon-rich particles, mixtures of organic particles and Ca-Mg carbonates, soot and biogenic particles. In view of the chemical composition and size distribution of the aerosol particles, local deposition efficiencies in the human respiratory system were calculated, revealing the deposition of CaO center dot MgO at extrathoracic, tracheobronchial and pulmonary levels. The results of this study offer evidence to the threat of the fine and coarse particles emitted from dolomite lime manufacturing, allowing policy-makers to better focus their mitigation strategies in an effective way, as well as to the dolomite producers for the purpose of designing and/or implementing improved emission controls. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000260265300001 |
Publication Date |
2008-07-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1352-2310 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:70451 |
Serial |
8101 |
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| Permanent link to this record |
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| |
|
Author |
Wang, S.; Tian, H.; Sun, M. |
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| |
Title |
Valley-polarized and enhanced transmission in graphene with a smooth strain profile |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
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| |
Volume |
35 |
Issue |
30 |
Pages |
304002-304013 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We explore the influence of strain on the valley-polarized transmission of graphene by employing the wave-function matching and the non-equilibrium Green's function technique. When the transmission is along the armchair direction, we show that the valley polarization and transmission can be improved by increasing the width of the strained region and increasing (decreasing) the extensional strain in the armchair (zigzag) direction. It is noted that the shear strain does not affect transmission and valley polarization. Furthermore, when we consider the smooth strain barrier, the valley-polarized transmission can be enhanced by increasing the smoothness of the strain barrier. We hope that our finding can shed new light on constructing graphene-based valleytronic and quantum computing devices by solely employing strain. |
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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 |
000977124700001 |
Publication Date |
2023-04-11 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.7 |
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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| |
Call Number |
UA @ admin @ c:irua:196718 |
Serial |
8953 |
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| Permanent link to this record |
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| |
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Author |
Grubova, I.Y.; Surmenev, R.A.; Neyts, E.C.; Koptyug, A.V.; Volkova, A.P.; Surmeneva, M.A. |
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| |
Title |
Combined first-principles and experimental study on the microstructure and mechanical characteristics of the multicomponent additive-manufactured Ti-35Nb-7Zr-5Ta alloy |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS Omega |
Abbreviated Journal |
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|
| |
Volume |
8 |
Issue |
30 |
Pages |
27519-27533 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
New & beta;-stabilizedTi-based alloys are highly promising forbone implants, thanks in part to their low elasticity. The natureof this elasticity, however, is as yet unknown. We here present combinedfirst-principles DFT calculations and experiments on the microstructure,structural stability, mechanical characteristics, and electronic structureto elucidate this origin. Our results suggest that the studied & beta;Ti-35Nb-7Zr-5Ta wt % (TNZT) alloy manufacturedby the electron-beam powder bed fusion (E-PBF) method has homogeneousmechanical properties (H = 2.01 & PLUSMN; 0.22 GPa and E = 69.48 & PLUSMN; 0.03 GPa) along the building direction,which is dictated by the crystallographic texture and microstructuremorphologies. The analysis of the structural and electronic properties,as the main factors dominating the chemical bonding mechanism, indicatesthat TNZT has a mixture of strong metallic and weak covalent bonding.Our calculations demonstrate that the softening in the Cauchy pressure(C & PRIME; = 98.00 GPa) and elastic constant C ̅ ( 44 ) = 23.84 GPa is the originof the low elasticity of TNZT. Moreover, the nature of this softeningphenomenon can be related to the weakness of the second and thirdneighbor bonds in comparison with the first neighbor bonds in theTNZT. Thus, the obtained results indicate that a carefully designedTNZT alloy can be an excellent candidate for the manufacturing oforthopedic internal fixation devices. In addition, the current findingscan be used as guidance not only for predicting the mechanical propertiesbut also the nature of elastic characteristics of the newly developedalloys with yet unknown properties. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001031269000001 |
Publication Date |
2023-07-18 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2470-1343 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.1 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 4.1; 2023 IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:198313 |
Serial |
9011 |
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| Permanent link to this record |
| |
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| |
|
Author |
Gonzalez-Nelson, A.; Mula, S.; Simenas, M.; Balciunas, S.; Altenhof, A.R.; Vojvodin, C.S.; Canossa, S.; Banys, J.; Schurko, R.W.; Coudert, F.-X.; van der Veen, M.A. |
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| |
Title |
Emergence of coupled rotor dynamics in metal-organic frameworks via tuned steric interactions |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of The American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
| |
Volume |
143 |
Issue |
31 |
Pages |
12053-12062 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The organic components in metal-organic frameworks (MOFs) are unique: they are embedded in a crystalline lattice, yet, as they are separated from each other by tunable free space, a large variety of dynamic behavior can emerge. These rotational dynamics of the organic linkers are especially important due to their influence over properties such as gas adsorption and kinetics of guest release. To fully exploit linker rotation, such as in the form of molecular machines, it is necessary to engineer correlated linker dynamics to achieve their cooperative functional motion. Here, we show that for MIL-53, a topology with closely spaced rotors, the phenylene functionalization allows researchers to tune the rotors' steric environment, shifting linker rotation from completely static to rapid motions at frequencies above 100 MHz. For steric interactions that start to inhibit independent rotor motion, we identify for the first time the emergence of coupled rotation modes in linker dynamics. These findings pave the way for function-specific engineering of gear-like cooperative motion in MOFs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000684581100022 |
Publication Date |
2021-07-29 |
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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 |
0002-7863 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
13.858 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 13.858 |
|
| |
Call Number |
UA @ admin @ c:irua:180504 |
Serial |
6867 |
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| Permanent link to this record |
| |
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| |
|
Author |
Sheath, B.C.; Xu, X.; Manuel, P.; Hadermann, J.; Batuk, M.; O'Sullivan, J.; Bonilla, R.S.; Clarke, S.J. |
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| |
Title |
Structures and magnetic ordering in layered Cr oxide arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
| |
Volume |
61 |
Issue |
31 |
Pages |
10-12385 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Two novel chromium oxide arsenide materials have been synthesized, Sr2CrO2Cr2OAs2 (i.e., Sr2Cr3As2O3) and Sr2CrO3CrAs (i.e., Sr2Cr2AsO3), both of which contain chromium ions in two distinct layers. Sr2CrO2Cr2OAs2 was targeted following electron microscopy measurements on a related phase. It crystallizes in the space group P4/mmm and accommodates distorted CrO4As2 octahedra containing Cr2+ and distorted CrO(2)As(4 )octahedra containing Cr3+. In contrast, Sr2CrO3CrAs incorporates Cr3+ in CrO5 square-pyramidal coordination in [Sr2CrO3](+) layers and Cr2+ ions in CrAs(4 )tetrahedra in [CrAs](-) layers and crystallizes in the space group P4/nmm. Powder neutron diffraction data reveal antiferromagnetic ordering in both compounds. In Sr2CrO3CrAs the Cr2+ moments in the [CrAs](-) layers exhibit long-range ordering, while the Cr3+ moments in the [Sr2CrO3](+) layers only exhibit short-range ordering. However, in Sr2CrO2Cr2OAs2, both the Cr(2+ )moments in the CrO4As2 environments and the Cr3+ moments in the CrO2As4 polyhedra are long-range-ordered below 530(10) K. Above this temperature, only the Cr3+ moments are ordered with a Neel temperature slightly in excess of 600 K. A subtle structural change is evident in Sr2CrO2Cr2OAs2 below the magnetic ordering transitions. |
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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 |
000841943600001 |
Publication Date |
2022-07-27 |
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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 |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.6 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.6 |
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Call Number |
UA @ admin @ c:irua:190007 |
Serial |
7215 |
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Author |
Dubinina, T.; Maklakov, S.; Petrusevich, E.; Borisova, N.E.; Trashin, S.A.; De Wael, K.; Tomilova, L.G. |
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Title |
Photoactive layers for photovoltaics based on near-infrared absorbing aryl-substituted naphthalocyanine complexes : preparation and investigation of properties |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
New Journal Of Chemistry |
Abbreviated Journal |
New J Chem |
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Volume |
45 |
Issue |
32 |
Pages |
14815-14821 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Photoactive layers based on aryl- and aryloxy-substituted naphthalocyanines and conductive polymer poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylene vinylene] (MEH-PPV) were prepared using the spin-coating technique and their conductivity was tested in dark and under illumination. For this purpose novel octa-2-naphthoxy-substituted naphthalocyanines were synthesized starting from 6,7-di(2-naphthoxy)naphthalene-2,3-dicarbonitrile. For those novel naphthalocyanine complexes, spectral and electrochemical data were measured and compared with corresponding ones for other aryl-substituted analogues. In comparison to the previously studied naphthalocyanines with alkyl- and phenyl- groups, the formal oxidation and reduction potentials were rather similar. All target complexes demonstrate intense near-infrared absorption at 760-790 nm, which is about 30 nm bathochromically shifted in thin films. The photo-resistive effect was found increasing from composites comprised of naphthoxy- to phenyl-substituted naphthalocyanines. This peculiarity was explained by using optical and atomic force microscopy in terms of different sizes of aggregates formed. The photo-response time for novel composited was approximately 3 s, which is about 20 times faster than measured previously for the films deposited via the drop-casting technique. |
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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 |
000680389800001 |
Publication Date |
2021-07-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1144-0546 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.269 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.269 |
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Call Number |
UA @ admin @ c:irua:179884 |
Serial |
8379 |
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Author |
Bekaert, J.; Bringmans, L.; Milošević, M.V. |
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Title |
Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
35 |
Issue |
32 |
Pages |
325602-325610 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations. |
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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 |
000986281900001 |
Publication Date |
2023-05-03 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:196664 |
Serial |
8875 |
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Author |
Mazzola, F.; Hassani, H.; Amoroso, D.; Chaluvadi, S.K.; Fujii, J.; Polewczyk, V.; Rajak, P.; Koegler, M.; Ciancio, R.; Partoens, B.; Rossi, G.; Vobornik, I.; Ghosez, P.; Orgiani, P. |
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Title |
Unveiling the electronic structure of pseudotetragonal WO₃ thin films |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
The journal of physical chemistry letters |
Abbreviated Journal |
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Volume |
14 |
Issue |
32 |
Pages |
7208-7214 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
WO3 isa 5d compound that undergoes severalstructuraltransitions in its bulk form. Its versatility is well-documented,with a wide range of applications, such as flexopiezoelectricity,electrochromism, gating-induced phase transitions, and its abilityto improve the performance of Li-based batteries. The synthesis ofWO(3) thin films holds promise in stabilizing electronicphases for practical applications. However, despite its potential,the electronic structure of this material remains experimentally unexplored.Furthermore, its thermal instability limits its use in certain technologicaldevices. Here, we employ tensile strain to stabilize WO3 thin films, which we call the pseudotetragonal phase, and investigateits electronic structure using a combination of photoelectron spectroscopyand density functional theory calculations. This study reveals theFermiology of the system, notably identifying significant energy splittingsbetween different orbital manifolds arising from atomic distortions.These splittings, along with the system's thermal stability,offer a potential avenue for controlling inter- and intraband scatteringfor electronic applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001044522400001 |
Publication Date |
2023-08-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1948-7185 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.7; 2023 IF: 9.353 |
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Call Number |
UA @ admin @ c:irua:198391 |
Serial |
8951 |
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Author |
Pandey, T.; Peeters, F.M.; Milošević, M.V. |
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Title |
High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
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Volume |
11 |
Issue |
33 |
Pages |
11185-11194 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics. |
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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 |
001041124900001 |
Publication Date |
2023-07-26 |
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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 |
2050-7526; 2050-7534 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.4 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.4; 2023 IF: 5.256 |
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Call Number |
UA @ admin @ c:irua:198296 |
Serial |
8821 |
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Author |
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Karbasizadeh, S.; Ghergherehchi, M.; Sarsari, I.A.; Ziabari, A.A. |
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Title |
Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
23 |
Issue |
34 |
Pages |
18752-18759 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this work, motivated by the fabrication of an AlSb monolayer, we have focused on the electronic, mechanical and optical properties of AlSb and InSb monolayers with double-layer honeycomb structures, employing the density functional theory approach. The phonon band structure and cohesive energy confirm the stability of the XSb (X = Al and In) monolayers. The mechanical properties reveal that the XSb monolayers have a brittle nature. Using the GGA + SOC (HSE + SOC) functionals, the bandgap of the AlSb monolayer is predicted to be direct, while InSb has a metallic character using both functionals. We find that XSb (X = Al, In) two-dimensional bodies can absorb ultraviolet light. The present findings suggest several applications of AlSb and InSb monolayers in novel optical and electronic usages. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000686236800001 |
Publication Date |
2021-08-05 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:181712 |
Serial |
7005 |
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Author |
Nematollahi, P.; Neyts, E.C. |
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Title |
Identification of a unique pyridinic FeN4Cx electrocatalyst for N₂ reduction : tailoring the coordination and carbon topologies |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
126 |
Issue |
34 |
Pages |
14460-14469 |
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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 |
Although the heterogeneity of pyrolyzed Fe???N???C materials is known and has been reported previously, the atomic structure of the active sites and their detailed reaction mechanisms are still unknown. Here, we identified two pyridinic Fe???N4-like centers with different local C coordinates, i.e., FeN4C8 and FeN4C10, and studied their electrocatalytic activity for the nitrogen reduction reaction (NRR) based on density functional theory (DFT) calculations. We also discovered the influence of the adsorption of NH2 as a functional ligand on catalyst performance on the NRR. We confirmed that the NRR selectivity of the studied catalysts is essentially governed either by the local C coordination or by the dynamic structure associated with the FeII/FeIII. Our investigations indicate that the proposed traditional pyridinic FeN4C10 has higher catalytic activity and selectivity for the NRR than the robust FeN4C8 catalyst, while it may have outstanding activity for promoting other (electro)catalytic reactions. <comment>Superscript/Subscript Available</comment |
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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 |
000859545200001 |
Publication Date |
2022-08-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.7 |
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Call Number |
UA @ admin @ c:irua:191469 |
Serial |
7268 |
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Author |
Nematollahi, P.; Ma, H.; Schneider, W.F.; Neyts, E.C. |
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Title |
DFT and microkinetic comparison of ru-doped porphyrin-like graphene and nanotubes toward catalytic formic acid decomposition and formation |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
125 |
Issue |
34 |
Pages |
18673-18683 |
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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 |
Immobilization of single metal atoms on a solid host opens numerous possibilities for catalyst designs. If that host is a two-dimensional sheet, sheet curvature becomes a design parameter potentially complementary to host and metal composition. Here, we use a combination of density functional theory calculations and microkinetic modeling to compare the mechanisms and kinetics of formic acid decomposition and formation, chosen for their relevance as a potential hydrogen storage medium, over single Ru atoms anchored to pyridinic nitrogen in a planar graphene flake (RuN4-G) and curved carbon nanotube (RuN4-CNT). Activation barriers are lowered and the predicted turnover frequencies are increased over RuN4-CNT relative to RuN4-CNT. The results highlight the potential of curvature control as a means to achieve high performance and robust catalysts. |
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Corporate Author |
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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 |
000693413400013 |
Publication Date |
2021-08-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:181538 |
Serial |
7805 |
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| Permanent link to this record |
