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	Author	Bittencourt, C.; Hecq, M.; Felten, A.; Pireaux, J.J.; Ghijsen, J.; Felicissimo, M.P.; Rudolf, P.; Drube, W.; Ke, X.; Van Tendeloo, G.
	Title	Platinumcarbon nanotube interaction			Type	A1 Journal article
	Year	2008	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	462	Issue	4/6	Pages	260-264
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The interaction between evaporated Pt and pristine or oxygen-plasma-treated multiwall carbon nanotubes (CNTs) is investigated. Pt is found to nucleate at defect sites, whether initially present or introduced by oxygen plasma treatment. The plasma treatment induces a uniform dispersion of Pt nanoparticles at the CNT surface. The absence of additional features in the C 1s core level spectrum indicates that no mixed PtC phase is formed. The formation of COPt bonds at the cluster-CNT interface is suggested to reduce the electronic interaction between Pt nanoparticles and the CNT surface.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000258830900025	Publication Date	2008-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	62	Open Access
	Notes	Pai			Approved	Most recent IF: 1.815; 2008 IF: 2.169
	Call Number	UA @ lucian @ c:irua:76489			Serial	2652
Permanent link to this record



	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	Potential energy surface of B₄ and the total atomization energies of B₂, B₃ and B₄			Type	A1 Journal article
	Year	1992	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	189	Issue	6	Pages	529-536
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1992HF18100008	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	50	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:4193			Serial	2685
Permanent link to this record



	Author	Pierard, N.; Fonseca, A.; Konya, Z.; Willems, I.; Van Tendeloo, G.; Nagy, J.B.
	Title	Production of short carbon nanotubes with open tips by ball milling			Type	A1 Journal article
	Year	2001	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	335	Issue		Pages	1-8
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000167018700001	Publication Date	2002-10-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	203	Open Access
	Notes				Approved	Most recent IF: 1.815; 2001 IF: 2.364
	Call Number	UA @ lucian @ c:irua:54774			Serial	2725
Permanent link to this record



	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	The rotational partition function of the symmetric top and the effect of K doubling thereon			Type	A1 Journal article
	Year	1991	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	187	Issue		Pages	375-386
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1991GX46000006	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	6	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 38/271 Q1 # METALLURGY & METALLURGICAL ENGINEERING 2/73 Q1 #
	Call Number	UA @ lucian @ c:irua:713			Serial	2931
Permanent link to this record



	Author	Michel, K.H.
	Title	Sequence of orientational phase transitions in solid C₆₀			Type	A1 Journal article
	Year	1992	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	193	Issue		Pages	478-480
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1992HZ32900006	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	14	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
	Call Number	UA @ lucian @ c:irua:2971			Serial	2985
Permanent link to this record



	Author	Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M.
	Title	Stability of Ge₁₂C₄₈ and Ge₂₀C₄₀ heterofullerenes : a first principles molecular dynamics study			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	556	Issue		Pages	163-167
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000313644100032	Publication Date	2012-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:110085			Serial	3132
Permanent link to this record



	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J.
	Title	Structure and infrared spectroscopy of the C₁₁ molecule			Type	A1 Journal article
	Year	1991	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	187	Issue		Pages	367-386
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1991GX46000005	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	42	Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:718			Serial	3281
Permanent link to this record



	Author	Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	The structure, energetics, and harmonic vibrations of B₃N			Type	A1 Journal article
	Year	1993	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	201	Issue		Pages	54-58
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1993KF37900010	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	20	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:6145			Serial	3302
Permanent link to this record



	Author	Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R.
	Title	Structures and thermochemistry of B₃N₃ and B₄N₄			Type	A1 Journal article
	Year	1995	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	232	Issue		Pages	289-294
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1995QC33700018	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	35	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:12278			Serial	3320
Permanent link to this record



	Author	Ivanov, V.; Nagy, J.B.; Lambin, P.; Lucas, A.; Zhang, X.B.; Zhang, X.F.; Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J.
	Title	The study of carbon nanotubes produced by catalytic method			Type	A1 Journal article
	Year	1994	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	223	Issue		Pages	329-335
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1994NT08000011	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	405	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:10002			Serial	3326
Permanent link to this record



	Author	Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Thiess, S.; Drube, W.; Ghijsen, J.; Ewels, C.P.
	Title	Study of the interaction between copper and carbon nanotubes			Type	A1 Journal article
	Year	2012	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	535	Issue		Pages	80-83
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Copper deposited by thermal evaporation onto pristine and oxygen plasma treated carbon nanotubes (CNTs) diffuse over the CNT surface, coalescing and forming crystalline islands. The nucleation sites of the islands are preferentially defects, and more homogeneous island dispersion was observed at the CNT oxygen functionalized surface. The presence of weakly bound oxygen atoms at the CNT surface induces the formation of CuO bonds at the Cu/CNT interface, as described through density functional calculations. Exposure to air allows further oxidation to facetted crystalline Cu2O. Oxygen plasma pre-treatment represents a promising route for homogenous disperse Cu2O nanoparticle decoration of CNTs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000303437900015	Publication Date	2012-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	27	Open Access
	Notes				Approved	Most recent IF: 1.815; 2012 IF: 2.145
	Call Number	UA @ lucian @ c:irua:97704			Serial	3336
Permanent link to this record



	Author	Du, G.H.; Van Tendeloo, G.
	Title	Cu(OH)₂ nanowires, CuO nanowires and CuO nanobelts			Type	A1 Journal article
	Year	2004	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	393	Issue	1/3	Pages	64-69
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000222887700012	Publication Date	2004-06-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	145	Open Access
	Notes	Iuap P5/01			Approved	Most recent IF: 1.815; 2004 IF: 2.438
	Call Number	UA @ lucian @ c:irua:54777			Serial	3525
Permanent link to this record



	Author	Ivanov, V.; Nagy, J.B.; Lambin, P.; Lucas, A.; Zhang, X.B.; Zhang, X.F.; Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J.
	Title	The study of carbon nanotubules produced by catalytic method			Type	A1 Journal article
	Year	1994	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	223	Issue	4	Pages	329-335
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Catalytic methods for the production of carbon nanotubules have been developed based on the decomposition of acetylene on well-dispersed metal particles strongly adsorbed on a support. Cobalt on silica was found to be the best catalyst-support combination for the production of graphitic tubules. The method for the catalyst preparation and the reaction conditions were optimized. Straight and coiled carbon tubules were obtained with inner and outer diameter of 3-7 and 15-20 nm, respectively, and up to 30 mum in length. These nanotubules were not coated by amorphous carbon. Traces of amorphous carbon could be removed by hydrogen. High resolution electron microscopy images and electron diffraction patterns of the straight nanotubules were similar to those obtained by the arc-discharge method. Coiled nanotubules were revealed by TEM to be regular polygonized helices where the bends are caused by pairs of pentagon-heptagon carbon rings among the hexagonal network.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1994NT08000011	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.897	Times cited	405	Open Access
	Notes				Approved	PHYSICS, APPLIED 47/145 Q2 #
	Call Number	UA @ lucian @ c:irua:99869			Serial	3595
Permanent link to this record



	Author	Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M.
	Title	Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study			Type	A1 Journal article
	Year	2011	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	510	Issue	1/3	Pages	14-17
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We establish the topological conditions underlying the thermal stability of C30Si30 clusters. Two topologies have been considered: a segregated one, where Si and C atoms lie on neighboring and yet, separated parts of the cage, and a non-segregated one, where the number of SiC bonds is maximized. The segregated network is energetically favored against the non-segregated one, both structures being fully relaxed at T = 0 K. Conversely, the non-segregated structure is the only one stable at finite temperatures, regardless of the nature of the local states (d or p) included in the KleynmanBylander construction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000291478400002	Publication Date	2011-05-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.815; 2011 IF: 2.337
	Call Number	UA @ lucian @ c:irua:90453			Serial	3625
Permanent link to this record



	Author	Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C.
	Title	The formation of Cr₂O₃ nanoclusters over graphene sheet and carbon nanotubes			Type	A1 Journal article
	Year	2017	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	687	Issue		Pages	188-193
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000412453700030	Publication Date	2017-09-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	2	Open Access	Not_Open_Access: Available from 01.11.2019
	Notes	; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ;			Approved	Most recent IF: 1.815
	Call Number	UA @ lucian @ c:irua:146646			Serial	4795
Permanent link to this record



	Author	Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	On the relative stabilities of the linear and triangular forms of B₃N			Type	A1 Journal article
	Year	1993	Publication	Chemical physics	Abbreviated Journal	Chem Phys
	Volume	178	Issue		Pages	77-82
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1993MP94200006	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-0104;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.652	Times cited	9	Open Access
	Notes				Approved	CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
	Call Number	UA @ lucian @ c:irua:6150			Serial	2453
Permanent link to this record



	Author	Verheijen, M.A.; Meekes, H.; Meijer, G.; Bennema, P.; de Boer, J.L.; van Smaalen, S.; Van Tendeloo, G.; Amelinckx, S.; Muto, S.; van Landuyt, J.
	Title	The structure of different phases of pure C70 crystals			Type	A1 Journal article
	Year	1992	Publication	Chemical physics	Abbreviated Journal	Chem Phys
	Volume	166	Issue		Pages	287-297
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1992JQ46300026	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-0104;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.652	Times cited	168	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:4104			Serial	3309
Permanent link to this record



	Author	Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F.; Peeters, F.M.
	Title	Adsorption of molecules on C₃N nanosheet : a first-principles calculations			Type	A1 Journal article
	Year	2019	Publication	Chemical physics	Abbreviated Journal	Chem Phys
	Volume	526	Issue	526	Pages	110442
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first-principles calculations we investigate the interaction of various molecules, including H-2, N-2, CO, CO2, H2O, H2S, NH3, CH4 with a C3N nanosheet. Due to the weaker interaction between H-2, N-2, CO, CO2, H2O, H2S, NH3, and CH4 molecules with C3N, the adsorption energy is small and does not yield any significant distortion of the C3N lattice and the molecules are physisorbed. Calculated charge transfer shows that these molecules act as weak donors. However, adsorption of O-2, NO, NO2 and SO2 molecules are chemisorbed, they receive electrons from C3N and act as a strong acceptor. They interact strongly through hybridizing its frontier orbitals with the p-orbital of C3N, modifying the electronic structure of C3N. Our theoretical studies indicate that C3N-based sensor has a high potential for O-2, NO, NO2 and SO2 molecules detection.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000481606000006	Publication Date	2019-07-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-0104	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.767	Times cited	52	Open Access
	Notes	; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). In addition, this work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 1.767
	Call Number	UA @ admin @ c:irua:161779			Serial	5405
Permanent link to this record



	Author	Ramesha, B.M.; Pawlak, B.; Arenas Esteban, D.; Reekmans, G.; Bals, S.; Marchal, W.; Carleer, R.; Adriaensens, P.; Meynen, V.
	Title	Partial hydrolysis of diphosphonate ester during the formation of hybrid Tio₂ nanoparticles : role of acid concentration			Type	A1 Journal article
	Year	2023	Publication	ChemPhysChem : a European journal of chemical physics and physical chemistry	Abbreviated Journal
	Volume		Issue		Pages	e202300437-13
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	In the present work, a method was utilized to control the in‐situ partial hydrolysis of a diphosphonate ester in presence of a titania precursor and in function of acid content and its impact on the hybrid nanoparticles was assessed. The hydrolysis degree of organodiphosphonate ester linkers during the formation of hybrid organic‐inorganic metal oxide nanoparticles, are relatively underexplored . Quantitative solution NMR spectroscopy revealed that during the synthesis of TiO2 nanoparticles, an increase in acid concentration introduces a higher degree of partial hydrolysis of the TEPD linker into diverse acid/ester derivatives of TEPD. Increasing the HCl/Ti ratio from 1 to 3, resulted in an increase in degree of partial hydrolysis of the TEPD linker in solution from 4% to 18.8% under the here applied conditions. As a result of the difference in partial hydrolysis, the linker‐TiO2 bonding was altered. Upon subsequent drying of the colloidal TiO2 solution, different textures, at nanoscale and macroscopic scale, were obtained dependent on the HCl/Ti ratio and thus the degree of hydrolysis of TEPD. Understanding such linker‐TiO2 nanoparticle surface dynamics is crucial for making hybrid organic‐inorganic materials (i.e. (porous) metal phosphonates) employed in applications such as electronic/photonic devices, separation technology and heterogeneous catalysts.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001071673900001	Publication Date	2023-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1439-4235; 1439-7641	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.9	Times cited		Open Access	OpenAccess
	Notes	This work was supported by the Research Foundation-Flanders (FWO Vlaanderen) Project G.0121.17 N. The work was further supported by Hasselt University and the Research Foundation – Flanders (FWO Vlaanderen) via the Hercules project AUHL/15/2 – GOH3816 N. V. M. acknowledges the Research Foundation Flanders (FWO) for project K801621 N. B. M. R. acknowledges, Prof. Dr. Christophe Detavernier and Dr. Davy Deduystche (COCOON, Ghent University) for PXRD and VT-XRD measurements, Prof. Dr. Christophe Van De Velde (iPRACS, University of Antwerp) and Dr. Radu Ciocarlan (LADCA, University of Antwerp) for helpful discussions on PXRD measurements and Dr. Nick Gys (University of Antwerp and VITO) for ICP-OES measurements.			Approved	Most recent IF: 2.9; 2023 IF: 3.075
	Call Number	UA @ admin @ c:irua:198934			Serial	8911
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	Author	Duran, T.A.; Šabani, D.; Milošević, M.V.; Sahin, H.
	Title	Experimental and theoretical investigation of synthesis and properties of dodecanethiol-functionalized MoS₂			Type	A1 Journal article
	Year	2023	Publication	Physical chemistry, chemical physics	Abbreviated Journal
	Volume	25	Issue	40	Pages	27141-27150
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Herein, we investigate the DDT (1-dodecanethiol) functionalization of exfoliated MoS2 by using experimental and theoretical tools. For the functionalization of MoS2, DDT treatment was incorporated into the conventional NMP (N-methyl pyrrolidone) exfoliation procedure. Afterward, it has been demonstrated that the functionalization process is successful through optical, morphological and theoretical analysis. The D, G and 2LA peaks seen in the Raman spectrum of exfoliated NMP-MoS2 particles, indicate the formation of graphitic species on MoS2 sheets. In addition, as the DDT ratio increases, the vacant sites on MoS2 sheets diminish. Moreover, at an optimized ratio of DDT-NMP, the maximum number of graphitic quantum dots (GQDs) is observed on MoS2 nanosheets. Specifically, the STEM and AFM data confirm that GQDs reside on the MoS2 nano-sheets and also that the particle size of the DDT-MoS2 is mostly fixed, while the NMP-MoS2 show many smaller and distributed sizes. The comparison of PL intensities of the NMP-MoS2 and DDT-MoS2 samples states a 10-fold increment is visible, and a 60-fold increment in NIR region photoluminescent properties. Moreover, our results lay out understanding and perceptions on the surface and edge chemistry of exfoliated MoS2 and open up more opportunities for MoS2 and GQD particles with broader applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001076998800001	Publication Date	2023-09-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	3.3	Times cited		Open Access
	Notes				Approved	Most recent IF: 3.3; 2023 IF: 4.123
	Call Number	UA @ admin @ c:irua:200284			Serial	9033
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	Author	Dong, H.M.; Liang, H.P.; Tao, Z.H.; Duan, Y.F.; Milošević, M.V.; Chang, K.
	Title	Interface thermal conductivities induced by van der Waals interactions			Type	A1 Journal article
	Year	2024	Publication	Physical chemistry, chemical physics	Abbreviated Journal
	Volume	26	Issue	5	Pages	4047-4051
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The interface heat transfer of two layers induced by van der Waals (vdW) contacts is theoretically investigated, based on first-principles calculations at low temperatures. The results suggest that out-of-plane acoustic phonons with low frequencies dominate the interface thermal transport due to the vdW interaction. The interface thermal conductivity is proportional to the cubic of temperature at very low temperatures, but becomes linearly proportional to temperature as temperature increases. We show that manipulating the strain alters vdW coupling, leading to increased interfacial thermal conductivity at the interface. Our findings provide valuable insights into the interface heat transport in vdW heterostructures and support further design and optimization of electronic and optoelectronic nanodevices based on vdW contacts. The heat transfer induced by van der Waals contacts is dominated by ZA phonons. The interface thermal conductivity is proportional to the cubic of temperature, but becomes linearly proportional to temperature as temperature increases.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001142323400001	Publication Date	2024-01-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	3.3	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 3.3; 2024 IF: 4.123
	Call Number	UA @ admin @ c:irua:202795			Serial	9050
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	Author	Gogoi, A.; Neyts, E.C.; Peeters, F.M.
	Title	Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H₃O⁺ and OH- ions			Type	A1 Journal article
	Year	2024	Publication	Physical chemistry, chemical physics	Abbreviated Journal
	Volume	26	Issue	13	Pages	10265-10272
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Modelling and Simulation in Chemistry (MOSAIC)
	Abstract	Graphene oxide (GO) is one of the most promising candidates for next generation of atomically thin membranes. Nevertheless, one of the major issues for real world application of GO membranes is their undesirable swelling in an aqueous environment. Recently, we demonstrated that generation of H3O+ and OH- ions (e.g., with an external electric field) in the interlayer gallery could impart aqueous stability to the layered GO membranes (A. Gogoi, ACS Appl. Mater. Interfaces, 2022, 14, 34946). This, however, compromises the water flux through the membrane. In this study, we report on reducing the GO nanosheets as a solution to this issue. With the reduction of the GO nanosheets, the water flux through the layered GO membrane initially increases and then decreases again beyond a certain degree of reduction. Here, two key factors are at play. Firstly, the instability of the H-bond network between water molecules and the GO nanosheets, which increases the water flux. Secondly, the pore size reduction in the interlayer gallery of the membranes, which decreases the water flux. We also observe a significant improvement in the salt rejection of the membranes, due to the dissociation of water molecules in the interlayer gallery. In particular, for the case of 10% water dissociation, the water flux through the membranes can be enhanced without altering its selectivity. This is an encouraging observation as it breaks the traditional tradeoff between water flux and salt rejection of a membrane.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001186465400001	Publication Date	2024-03-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	3.3	Times cited		Open Access
	Notes				Approved	Most recent IF: 3.3; 2024 IF: 4.123
	Call Number	UA @ admin @ c:irua:204792			Serial	9168
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