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	Author	Kovba, M.L.; Skolis, Y.Y.; Abakumov, A.M.; Hadermann, J.; Sukhushina, I.S.
	Title	The synthesis and thermodynamic properties of strontium fluoromanganite Sr_2.5Mn₆O_12.5-\deltaF₂			Type	A1 Journal article
	Year	2010	Publication	Russian journal of physical chemistry A	Abbreviated Journal	Russ J Phys Chem A+
	Volume	84	Issue	12	Pages	2033-2038
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The existence of the [SrF(0.8)O(0.1)](2.5)[Mn(6)O(12)] = Sr(2.5)Mn(6)O(12.5 – delta)F(2) compound was established in the SrO-Mn(2)O(3)-SrF(2) system at 900A degrees C and p(O(2)) = 1 atm. The crystal structure of strontium fluoromanganite was determined from the X-ray powder diffraction data, electron diffraction, and high-resolution electron microscopy. It can be described in the monoclynic system with four Miller hklm indices: hklm: H = h a* + k b* + l c (1) () + m q (1), q (1), q (1) = c (2) () = gamma c (1) (*) , gamma a parts per thousand 0.632, a a parts per thousand a a parts per thousand 9.72 , b a parts per thousand 9.55 , c (1) a parts per thousand 2.84 , c (2) a parts per thousand 4.49 , monoclinic angle gamma a parts per thousand 95.6A degrees. The electromotive force method with a solid fluorine ion electrolyte was used to refine the composition of fluoromanganite and determine the thermodynamic functions of its formation from phases neighboring in the phase diagram (SrMn(3)O(6), Mn(2)O(3), SrF(2), and oxygen), Delta GA degrees, kJ/mol = -(111.7 +/- 1.9) + (89.5 +/- 1.5) x 10(-3) T.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000284775000004	Publication Date	2011-02-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0036-0244;1531-863X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.581	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 0.581; 2010 IF: 0.503
	Call Number	UA @ lucian @ c:irua:99190			Serial	3601
Permanent link to this record



	Author	Malkov, I., V; Krivetskii, V.V.; Potemkin, D., I; Zadesenets, A., V; Batuk, M.M.; Hadermann, J.; Marikutsa, A., V; Rumyantseva, M.N.; Gas'kov, A.M.
	Title	Effect of Bimetallic Pd/Pt Clusters on the Sensing Properties of Nanocrystalline SnO2 in the Detection of CO			Type	A1 Journal article
	Year	2018	Publication	Russian journal of inorganic chemistry	Abbreviated Journal	Russ J Inorg Chem+
	Volume	63	Issue	8	Pages	1007-1011
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanocrystalline tin dioxide modified by Pd and Pt clusters or by bimetallic PdPt nanoparticles was synthesized. Distribution of the modifers on the SnO2 surface was studied by high-resolution transmission electron microscopy and energy dispersive X-ray microanalysis with element distribution mapping. It was shown that the Pd/Pt ratio in bimetallic particles varies over a broad range and does not depend on the particle diameter. The effect of platinum metals on the reducibility of nanocrystalline SnO2 by hydrogen was determined. The sensing properties of the resulting materials towards 6.7 ppm CO in air were estimated in situ by electrical conductivity measurements. The sensor response of SnO2 modified with bimetallic PdPt particles was a superposition of the signals of samples with Pt and Pd clusters.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000442749500003	Publication Date	2018-08-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0036-0236	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.787	Times cited	3	Open Access	Not_Open_Access
	Notes	; This work was supported by the ERA.Net RUS Plus program (project 096 FONSENS, RFBR grant 16-53-76001). ;			Approved	Most recent IF: 0.787
	Call Number	UA @ lucian @ c:irua:153752			Serial	5092
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	Author	Goossenaerts, C.; Van Grieken, R.; Jacob, W.; Witters, H.; Vanderborght, O.
	Title	A microanalytical study of the gills of aluminium-exposed rainbow trout (Salmo gairdneri)			Type	A1 Journal article
	Year	1988	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	34	Issue	3	Pages	227-237
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1988T017900005	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:116579			Serial	8240
Permanent link to this record



	Author	Wonders, J.H.A.M.; Houweling, S.; de Bont, F.A.J.; van Leeuwen, H.P.; Eeckhaoudt, S.M.; Van Grieken, R.
	Title	Characterization of aerosol-associated lead by DPASV and LAMMA			Type	A1 Journal article
	Year	1994	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	56	Issue		Pages	193-205
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1994PF99800002	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:9514			Serial	7611
Permanent link to this record



	Author	Wouters, L.; Artaxo, P.; Van Grieken, R.
	Title	Laser microprobe mass analysis of individual Antarctic aerosol particles			Type	A1 Journal article
	Year	1990	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	38	Issue	3	Pages	427-438
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Individual Antarctic aerosol particles in the 0.54 μm aerodynamic diameter range were analyzed using laser microprobe mass analysis (LAMMA). As they were sampled near the ocean, the great majority consists of seasalt, transformed to various degrees in the atmosphere. Major alterations include the association of an excess sulfate and methane sulfonate with these particles. Sulfate-rich particles containing little or no chloride were found mostly in the smallest size fraction (0.51 μm), where they account for some 5% of all particles: they are most likely highly transformed seasalt. Aluminosilicates, on the other hand, only appear among the coarser particles: they represent 2% of the particulates in the 24 μm range. The remainder of the aerosol consists of organic, Fe-rich, K-rich and Zn-rich particles. The latter groups have very low abundances: always less than 1% of the population of the impactor stage(s) onto which they were collected.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1990CN56100011	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:116580			Serial	8160
Permanent link to this record



	Author	Hellar-Kihampa, H.; Potgieter-Vermaak, S.; De Wael, K.; Lugwisha, E.; van Espen, P.; Van Grieken, R.
	Title	Concentration profiles of metal contaminants in fluvial sediments of a rural-urban drainage basin in Tanzania			Type	A1 Journal article
	Year	2014	Publication	International journal of environmental analytical chemistry	Abbreviated Journal	Int J Environ An Ch
	Volume	94	Issue	1	Pages	77-98
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	This study investigated concentration profiles of trace, rare earth and platinum group metals in fluvial sediments from the Pangani river basin (43,650 km2), one of the largest river basins in Tanzania, to assess its environmental quality. Sediment samples were collected in two distinct seasons from 12 representative sites of diverse land-use practices and characterised by ICP-MS after optimised microwave digestion. Ecological risks were assessed by evaluation of pollution index and comparison with legislated sediment quality guidelines (SQG). The results revealed contamination by some trace metals (e.g. Pb, V, Cu, Cr, Ni, Cd, As, Co, Mn and Zn) in concentrations ranging from 0.7 to 2940 mg kg−1, and four rare earth elements (Y, Ce, Nd, Yb) in concentrations ranging from 0.9 (Yb) to 500 mg kg−1 dry weight (Ce), which significantly exceeded the estimated background values at some stations. Palladium was the only platinum group element that was detected in quantifiable concentrations (0.33.5 mg kg−1). Concentrations of some trace metals exceeded the SQGs at some localised areas. Principal component analysis and multivariate correlations indicated geochemical characteristics of the area as the major control of metal concentrations and spatial variability. Organic matter and clay contents also played a significant role in metal distributions. Assessment of land-use practices upstream of the sampling locations was used to trace potential anthropogenic sources of metal enrichments, where highest levels were found in areas close to urban centres and agricultural activities. The study provides baseline data for future monitoring programs, and highlights the need for more comprehensive analysis involving a wider spatio-temporal scale and ecotoxicological risk assessment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000329774500007	Publication Date	2013-05-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.208	Times cited	5	Open Access
	Notes	; The participants of this research gratefully acknowledge the financial support of the Belgian Development Agency (BTC). The contribution of the Pangani Basin Water Board (PBWB), especially Ms Arafa Maggidi in provision of valuable information and assistance with the sampling campaigns is greatly appreciated. We sincerely acknowledge the assistance of Mr. Elisa Dunstan Kiwelu of Ardhi University, Dar es Salaam, Tanzania in mapping the study area; Mr Peter Machibya of the Department of Geology, University of Dar es Salaam, Tanzania in sediment characterisation; and Dr Valentine Kayawe Mubiana of the Department of Biology, University of Antwerp in ICP-MS analysis. The contributions of six anonymous reviewers, which greatly improved the manuscript for this paper, are highly appreciated. ;			Approved	Most recent IF: 1.208; 2014 IF: 1.295
	Call Number	UA @ admin @ c:irua:109234			Serial	5547
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	Author	Wouters, L.; Bernard, P.; Van Grieken, R.
	Title	Characterization of individual estuarine and marine particles by LAMMA and EPXMA			Type	A1 Journal article
	Year	1988	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	34	Issue	1	Pages	17-29
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Laser microprobe mass analysis (LAMMA) was applied to particulate matter from the Atlantic Ocean. Inferring information about the surface layer by LAMMA was not probe X-ray microanalysis (EPXMA). Geochemically relevant groups of particles had been identified by EPXMA and cluster analysis. For both locations, the most abundant ones appeared to be those rich in silicon and the alumino-silicates. Afterwards LAMMA was applied to obtain more information about the trace element composition and surface characteristics. The iron-rich phase appeared to contain significant amounts of heavy metals and of phosphate. Lead appeared to be associated in detectable amounts with alumino-silicates in the Scheldt but not with those in the Atlantic Ocean. Inferring information about the surface layer by LAMMA was not always unambiguous.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1988Q274200002	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:116577			Serial	7624
Permanent link to this record



	Author	Bruynseels, F.; Storms, H.; Tavares, T.; Van Grieken, R.
	Title	Characterization of individual particle types in coastal air by laser microprobe mass analysis			Type	A1 Journal article
	Year	1985	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	23	Issue	1	Pages	1-14
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Laser Microprobe Mass Analysis (LAMMA) was used in a preliminary study to characterize aerosol particles from a beach and inland sites and from a heavily industrialized area. As many as six types of both positive and negative mass spectra with different inorganic and organic signals could be distinguished in the different particle size ranges. Information about the elemental composition and the speciation of S and N was obtained. With increasing distance from sea, progressive uptake of nitrate in seasalt particles was found. Complex particles, containing soot and organic ammonium sulfate, were also detected.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1985AZE1800001	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:116575			Serial	7626
Permanent link to this record



	Author	Niessner, R.; Klockow, D.; Bruynseels, F.; Van Grieken, R.
	Title	Investigation of heterogeneous reactions of PAH's on particle surfaces using laser microprobe mass analysis			Type	A1 Journal article
	Year	1985	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	22	Issue	3/4	Pages	281-295
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	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.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1985AZE2300009	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:116576			Serial	8124
Permanent link to this record



	Author	Chakravorty, R.; Van Grieken, R.
	Title	Co-precipitation with iron hydroxide and X-ray fluorescence analysis of trace metals in water			Type	A1 Journal article
	Year	1982	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	11	Issue	1	Pages	67-80
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Preconcentration of transition trace ions by coprecipitation on iron-hydroxide has been combined with energy-dispersive X-ray fluorescence for environmental water analysis. The optimized preconcentration procedure implies adding 2 mg of iron to a 200 ml water sample, adding dilute NaOH up to pH 9, filtering off on a Nuclepore membrane after a 1 h equilibration time, and analyzing. Quantitative recoveries could then be obtained for Ni, Cu, Zn and Pb, e.g. at the 10 μg/l level in waters of varying salinity while Mn was partially collected. (In fact, for a given problem the iron carrier amount can be adjusted to obtain a satisfactory compromise between high recovery and low detection limit). The precision is 7-8% at the 10 μg/l level, and the detection limits are in the 0.5-1 μg/l range. Various environmental water samples are analysed by way of illustration.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1982NG99200007	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:116573			Serial	7676
Permanent link to this record



	Author	Smits, J.; Van Grieken, R.
	Title	Chelating 2,2′-diaminodiethylamine cellulose filters and X-ray fluorescence for preconcentration and trace analysis of natural waters			Type	A1 Journal article
	Year	1981	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	9	Issue	2	Pages	81-92
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The 2,2′-diaminodiethylamine (DEN) functional group can be expected to have ideal properties for the chelation of transition metals and their collection from aqueous solutions, independent of the alkali and alkaline earth ions concentration. Introducing DEN into cellulose filters allows straightforward preconcentration of trace cations by a simple filtration step, and the DEN-filter constitutes a suitable target for X-ray fluorescence (XRF) analysis. The linearity between the XRF-response on the loaded DEN-filter and the trace cation concentration in the solution appears excellent, up to a total filter capacity of ca. 3 μeq.cm−2. The detection limits are around 0.5 μg. l−1 in most practical cases. Accuracy and precision are around 10%. The applicability of the proposed procedure is illustrated on a comparative basis by XRF-analysis of drinking water and surface water, after preconcentration by DEN-filtration and by alternative procedures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1981LF48000001	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:116571			Serial	7638
Permanent link to this record



	Author	Vanderborght, B.M.; Van Grieken, R.E.
	Title	Trace metal analysis of water containing humic substances by X-ray fluorescence			Type	A1 Journal article
	Year	1978	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	5	Issue	3	Pages	221-237
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Chelation by oxine followed by adsorption on activated carbon results in the efficient collection of many trace metal ions, independent of the trace metal concentration and of high alkali and alkaline earth ion abundances. Preconcentration factors around 10000 are often achieved. When this preconcentration procedure is combined with energy-dispersive X-ray fluorescence, accurate and precise analysis can be carried out, as was proven in several experiments. The technique can also be applied for the determination of divalent ions in natural waters containing up to 10 ppm of humic substances. Trivalent ions can quantitatively be collected from natural water provided suKicient activated carbon is added. Omitting the oxine chelation prior to the activated carbon adsorption step still results in collection of a sometimes important fraction of the trace metal ions from natural waters. This is related to organically bound or colloidal forms of the trace metals.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1978FR88000005	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:116570			Serial	8692
Permanent link to this record



	Author	Semenov, M.Y.; Spolnik, Z.; Granina, L.; Van Grieken, R.
	Title	Ultra-thin window electron probe microanalysis of suspended particles in tributaries of Lake Baikal, Siberia			Type	A1 Journal article
	Year	2005	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	85	Issue	6	Pages	377-386
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000229611800003	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:52360			Serial	8701
Permanent link to this record



	Author	Eyckmans, K.; de Hoog, J.; van der Auwera, L.; Van Grieken, R.
	Title	Speciation of aerosols by combining bulk ion chromatography and thin-window electron probe micro analysis			Type	A1 Journal article
	Year	2003	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	83	Issue	9	Pages	777-786
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000184457600006	Publication Date	2004-05-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:43556			Serial	8571
Permanent link to this record



	Author	Eyckmans, K.; Zhang, J.; de Hoog, J.; Joos, P.; Van Grieken, R.
	Title	Leaching of nutrients and trace metals from aerosol samples: a comparison between a re-circulation and an ultrasound system			Type	A1 Journal article
	Year	2001	Publication	International journal of environmental analytical chemistry	Abbreviated Journal
	Volume	80	Issue	3	Pages	227-243
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000172385700006	Publication Date	2007-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	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:36087			Serial	8167
Permanent link to this record



	Author	Hellar-Kihampa, H.; Potgieter-Vermaak, S.; van Meel, K.; Gatto Rotondo, G.; Kishimba, M.; Van Grieken, R.
	Title	Elemental composition of bottom-sediments from Pangani river basin, Tanzania : lithogenic and anthropogenic sources			Type	A1 Journal article
	Year	2012	Publication	Toxicological and environmental chemistry	Abbreviated Journal
	Volume	94	Issue	3	Pages	525-544
	Keywords	A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	River-bed sediments from the Pangani basin, Tanzania, were characterized for elemental compositions, following contamination risks from rapid expansions of human activities in the area. Samples were collected during two individual seasons and analyzed by high-polarizing beam energy dispersive X-ray fluorescence (EDXRF) for eight major and 14 trace elements. Evaluation of enrichment factors (EFs) was used to investigate the elemental flux and assess the contributions of natural and anthropogenic influences. The abundances of the major elements followed the order Si > Al > Fe > Ca > K > Ti > Mn > P, similar to that of the upper earth's crust, and were generally from the weathering of the bed-rock. The high concentrations of typical anthropogenic trace-elements (Cr < 160 mg kg−1, V < 85 mg kg−1, Ni < 60 mg kg−1, Cu < 87 mg kg−1, La < 90 mg kg−1) coupled with high EFs (>2) in some locations indicated contamination associated with agricultural and industrial activities. Factor analysis extracted five principal components that contributed to 96.0% of the total observed variance. The results indicated that river-bed sediments of the Pangani basin were influenced to a larger extent by lithogenic sources than anthropogenic impacts.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000304276100007	Publication Date	2012-01-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0277-2248	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:97080			Serial	7889
Permanent link to this record



	Author	Semenov, M.Y.; Khodzher, T.V.; Obolkin, V.A.; Domysheva, V.M.; Golobokova, L.P.; Kobeleva, N.A.; Netsvetaeva, O.G.; Potemkin, V.L.; Van Grieken, R.; Fukuzaki, N.
	Title	Assessing the acidification risk in the Lake Baikal region			Type	A1 Journal article
	Year	2006	Publication	Chemistry and ecology	Abbreviated Journal
	Volume	22	Issue	1	Pages	1-11
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000236110800001	Publication Date	2006-03-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0275-7540	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:56510			Serial	7496
Permanent link to this record



	Author	Matthai, C.C.; March, N.H.; Lamoen, D.
	Title	Supercooled molecular liquids and the glassy phases of chemically bonded N, P, As, Si and Ge			Type	A1 Journal article
	Year	2009	Publication	Physics and chemistry of liquids	Abbreviated Journal	Phys Chem Liq
	Volume	47	Issue	6	Pages	607-613
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Glassy phases which have insulating character exist for a variety of monatomic species. By contrast, until recently, it has been possible to make bulk metallic glasses (BMG) by vitrification only for multicomponent systems. After a relatively brief summary on supercooling of a few molecular liquids, we review some of the recently reported results on molecular assemblies of the series N, P, As and amorphous Si and Ge. Based on these results, we suggest that the transition metals with their directional bonding might be suitable candidates for the production of BMG by vitrification.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000273047400003	Publication Date	2009-11-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9104;1029-0451;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.145	Times cited	1	Open Access
	Notes	BoF			Approved	Most recent IF: 1.145; 2009 IF: 0.580
	Call Number	UA @ lucian @ c:irua:80653			Serial	3376
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	Author	Leys, F.E.; March, N.H.; Lamoen, D.
	Title	Relativistic virial relations for both homogeneous and spatially varying electron liquids			Type	A1 Journal article
	Year	2004	Publication	Physics And Chemistry Of Liquids	Abbreviated Journal	Phys Chem Liq
	Volume	42	Issue		Pages	423-431
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000222750800010	Publication Date	2004-07-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9104;1029-0451;	ISBN		Additional Links	UA library record; WoS full record;
	Impact Factor	1.145	Times cited		Open Access
	Notes				Approved	Most recent IF: 1.145; 2004 IF: 0.478
	Call Number	UA @ lucian @ c:irua:47379			Serial	2862
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	Author	Alonso, J.A.; López, M.J.; March, N.H.; Lamoen, D.
	Title	Some properties of a model liquid of C60 buckyballs			Type	A1 Journal article
	Year	2002	Publication	Physics And Chemistry Of Liquids	Abbreviated Journal	Phys Chem Liq
	Volume	40	Issue		Pages	457
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000178012900008	Publication Date	2004-04-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9104;1029-0451;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.145	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 1.145; 2002 IF: 0.533
	Call Number	UA @ lucian @ c:irua:41407			Serial	3055
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	Author	Lamoen, D.; March, N.H.
	Title	Gradient expansion and beyond for stress tensor and tangential pressure deficit through a planar liquid-vapour interface			Type	A1 Journal article
	Year	2000	Publication	Physics And Chemistry Of Liquids	Abbreviated Journal	Phys Chem Liq
	Volume	38	Issue		Pages	495-504
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000087986300011	Publication Date	2007-07-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9104;1029-0451;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.145	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.145; 2000 IF: 0.267
	Call Number	UA @ lucian @ c:irua:27831			Serial	1362
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	Author	Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H.
	Title	Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I)			Type	A1 Journal article
	Year	2020	Publication	Journal Of Chemical Physics	Abbreviated Journal	J Chem Phys
	Volume	152	Issue	16	Pages	164116-164118
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. Our results reveal that both the 1H- and 1T-phases are dynamically stable in terms of their phonon band dispersions with the latter being the energetically favorable phase for all single-layers. In both phases of single-layer CaX2 structures, significant phonon softening occurs as the atomic radius increases. In addition, each structural phase exhibits distinctive Raman active modes that enable one to characterize either the phase or the structure via Raman spectroscopy. The electronic band dispersions of single-layer CaX2 structures reveal that all structures are indirect bandgap insulators with a decrease in bandgaps from fluorite to iodide crystals. Furthermore, the calculated linear elastic constants, in-plane stiffness, and Poisson ratio indicate the ultra-soft nature of CaX2 single-layers, which is quite important for their nanoelastic applications. Overall, our study reveals that with their dynamically stable 1T- and 1H-phases, single-layers of CaX2 crystals can be alternative ultra-thin insulators.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000531819100001	Publication Date	2020-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.4	Times cited	14	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the TUBITAK under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 4.4; 2020 IF: 2.965
	Call Number	UA @ admin @ c:irua:169543			Serial	6615
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	Author	Kandemir, A.; Peeters, F.M.; Sahin, H.
	Title	Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via spectrum			Type	A1 Journal article
	Year	2018	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	149	Issue	8	Pages	084707
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first principles calculations, we study the structural and phononic properties of the recently synthesized Janus type single layers of molybdenum dichalcogenides. The Janus MoSSe single layer possesses 2H crystal structure with two different chalcogenide sides that lead to out-of-plane anisotropy. By virtue of the asymmetric structure of the ultra-thin Janus type crystal, we induced the out-of-plane anisotropy to show the distinctive vertical pressure effect on the vibrational properties of the Janus material. It is proposed that for the corresponding Raman active optical mode of the Janus structure, the phase modulation and the magnitude ratio of the strained atom and its first neighbor atom adjust the distinctive change in the eigen-frequencies and Raman activity. Moreover, a strong variation in the Raman activity of the Janus structure is obtained under bivertical and univertical strains. Not only eigen-frequency shifts but also Raman activities of the optical modes of the Janus structure exhibit distinguishable features. This study reveals that the vertical anisotropic feature of the Janus structure under Raman measurement allows us to distinguish which side of the Janus crystal interacts with the externals (substrate, functional adlayers, or dopants). Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000444035800044	Publication Date	2018-08-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	11	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from TUBITAK under Project No. 117F095. F.M.P. was supported by the FLAG-ERA-TRANS<INF>2D</INF>TMD. ;			Approved	Most recent IF: 2.965
	Call Number	UA @ lucian @ c:irua:153711UA @ admin @ c:irua:153711			Serial	5115
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	Author	Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R.
	Title	Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential			Type	A1 Journal article
	Year	2015	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	142	Issue	142	Pages	024902
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000348129700053	Publication Date	2015-01-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;1089-7690;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	7	Open Access
	Notes	; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ;			Approved	Most recent IF: 2.965; 2015 IF: 2.952
	Call Number	c:irua:123832			Serial	3267
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	Author	Singh, S.K.; Neek-Amal, M.; Peeters, F.M.
	Title	Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy			Type	A1 Journal article
	Year	2014	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	140	Issue	7	Pages	074304-74309
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000332039900020	Publication Date	2014-02-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;1089-7690;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	30	Open Access
	Notes	; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ;			Approved	Most recent IF: 2.965; 2014 IF: 2.952
	Call Number	UA @ lucian @ c:irua:115857			Serial	1002
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	Author	Nikolaev, A.V.; Prassides, K.; Michel, K.H.
	Title	Charge transfer and polymer phases in AC₆₀ (A=K, Rb, Cs) fullerides			Type	A1 Journal article
	Year	1998	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	108	Issue		Pages	4912-4923
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000072588400025	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 2.965; 1998 IF: 3.147
	Call Number	UA @ lucian @ c:irua:23985			Serial	338
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	Author	Lamoen, D.; Persson, B.N.J.
	Title	Adsorption of potassium and oxygen on graphite: a theoretical study			Type	A1 Journal article
	Year	1998	Publication	Journal Of Chemical Physics	Abbreviated Journal	J Chem Phys
	Volume	108	Issue		Pages	3332-3341
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000074379600032	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	91	Open Access
	Notes				Approved	Most recent IF: 2.965; 1998 IF: 3.147
	Call Number	UA @ lucian @ c:irua:19420			Serial	64
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	Author	Lamoen, D.; Michel, K.H.
	Title	Crystal field, orientational order, and lattice contraction in solid C₆₀			Type	A1 Journal article
	Year	1994	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	101	Issue		Pages	1435-1443
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	A1994NW97900058	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.952	Times cited	39	Open Access
	Notes				Approved	CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
	Call Number	UA @ lucian @ c:irua:9361			Serial	554
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	Author	Michel, K.H.
	Title	Molecular structure and orientational ordering in solid C₆₀			Type	A1 Journal article
	Year	1992	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	97	Issue	7	Pages	5155-5162
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A microscopic theory, which describes the orientational dynamics of C60 molecules in the face-centered cubic phase of C60-fullerite, is formulated or the case of a complex molecular structure. Interaction centers which comprise atoms, double bonds, and single bonds as molecular constituents contribute to the intermolecular potential. Orientation dependent physical properties are described in terms of symmetry-adapted rotator functions. It is found that a same set of rotator functions is sufficient even in the case of a complex molecular structure. Phase transition temperatures are discussed for various models of molecular structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	A1992JR33800062	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.952	Times cited	20	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:2973			Serial	2185
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	Author	Verberck, B.; Vliegenthart, G.A.; Gompper, G.
	Title	Orientational ordering in solid C₆₀ fullerene-cubane			Type	A1 Journal article
	Year	2009	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	130	Issue	15	Pages	154510,1-154510,14
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000265486300036	Publication Date	2009-04-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 2.965; 2009 IF: 3.093
	Call Number	UA @ lucian @ c:irua:77258			Serial	2519
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