NANOlab Center of Excellence literature database -- Query Results

	NANOlab Center of Excellence literature database Home \| Show All \| Simple Search \| Advanced Search	Login Quick Search: Field: contains: ...
	331–360 of 437 records found matching your query (RSS \| history):

Select All Deselect All

<< 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 >>

List View

Citations

Details

	Records
	Author	Kuno, Y.; Tassel, C.; Fujita, K.; Batuk, D.; Abakumov, A.M.; Shitara, K.; Kuwabara, A.; Moriwake, H.; Watabe, D.; Ritter, C.; Brown, C.M.; Yamamoto, T.; Takeiri, F.; Abe, R.; Kobayashi, Y.; Tanaka, K.; Kageyama, H.
	Title	ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure			Type	A1 Journal article
	Year	2016	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	138	Issue	138	Pages	15950-15955
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	By using a high-pressure reaction, we prepared a new oxynitride ZnTaO2N that crystallizes in a centrosymmetric (R (3) over barc) high-temperature LiNbO3-type structure (HTLN-type). The stabilization of the HTLN-type structure down to low temperatures (at least 20 K) makes it possible to investigate not only the stability of this phase, but also the phase transition to a noncentrosymmetric (R3c) LiNbO3-type structure (LN-type) which is yet to be clarified. Synchrotron and neutron diffraction studies in combination with transmission electron microscopy show that Zn is located at a disordered 12c site instead of 6a, implying an order disorder mechanism of the phase transition. It is found that the dosed d-shell of Zn2+, as well as the high-valent Ta5+ ion, is responsible for the stabilization of the HTLN-type structure, affording a novel quasitriangular ZnO2N coordination. Interestingly, only 3% Zn substitution for MnTaO2N induces a phase transition from LN- to HTLN-type structure, implying the proximity in energy between the two structural types, which is supported by the first-principles calculations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000389962800032	Publication Date	2016-11-18
	Series Editor		Series Title		Abbreviated Series Title
	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	13	Open Access
	Notes				Approved	Most recent IF: 13.858
	Call Number	UA @ lucian @ c:irua:140298			Serial	4452
Permanent link to this record



	Author	Hoang, D.-Q.; Pobedinskas, P.; Nicley, S.S.; Turner, S.; Janssens, S.D.; Van Bael, M.K.; D'Haen, J.; Haenen, K.
	Title	Elucidation of the Growth Mechanism of Sputtered 2D Hexagonal Boron Nitride Nanowalls			Type	A1 Journal article
	Year	2016	Publication	Crystal growth & design	Abbreviated Journal	Cryst Growth Des
	Volume	16	Issue	7	Pages	3699-3708
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Hexagonal boron nitride nanowall thin films were deposited on Si(100) substrates using a Ar(51%)/N-2(44%)/H-2(5%) gas mixture by unbalanced radio frequency sputtering. The effects of various target-to-substrate distances, substrate temperatures, and substrate tilting angles were investigated. When the substrate is close to the target, hydrogen etching plays a significant role in the film growth, while the effect is negligible for films deposited at a farther distance. The relative quantity of defects was measured by a non-destructive infrared spectroscopy technique that characterized the hydrogen incorporation at dangling nitrogen bonds at defect sites in the deposited films. Despite the films deposited at different substrate tilting angles, the nanowalls of those films were found to consistently grow vertical to the substrate surface, independent of the tilting angle. This implies that chemical processes, rather than physical ones, govern the growth of the nanowalls. The results also reveal that the degree of nanowall crystallization is tunable by varying the growth parameters. Finally, evidence of hydrogen desorption during vacuum annealing is given based on measurements of infrared stretching (E-1u) and bending (A(2u)) modes of the optical phonons, and the H-N vibration mode.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000379456700020	Publication Date	2016-05-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1528-7483	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.055	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 4.055
	Call Number	UA @ lucian @ c:irua:144690			Serial	4652
Permanent link to this record



	Author	Sankaran, K.J.; Hoang, D.Q.; Srinivasu, K.; Korneychuk, S.; Turner, S.; Drijkoningen, S.; Pobedinskas, P.; Verbeeck, J.; Leou, K.C.; Lin, I.N.; Haenen, K.
	Title				Type	A1 Journal article
	Year	2016	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	213	Issue	10	Pages	2654-2661
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Utilization of Au and nanocrystalline diamond ( NCD) as interlayers noticeably modifies the microstructure and field electron emission ( FEE) properties of hexagonal boron nitride nanowalls ( hBNNWs) grown on Si substrates. The FEE properties of hBNNWs on Au could be turned on at a low turn-on field of 14.3V mu m(-1), attaining FEE current density of 2.58mAcm(-2) and life-time stability of 105 min. Transmission electron microscopy reveals that the Au-interlayer nucleates the hBN directly, preventing the formation of amorphous boron nitride ( aBN) in the interface, resulting in enhanced FEE properties. But Au forms as droplets on the Si substrate forming again aBN at the interface. Conversely, hBNNWs on NCD shows superior in life-time stability of 287 min although it possesses inferior FEE properties in terms of larger turn-on field and lower FEE current density as compared to that of hBNNWs-Au. The uniform and continuous NCD film on Si also circumvents the formation of aBN phases and allows hBN to grow directly on NCD. Incorporation of carbon in hBNNWs from the NCD-interlayer improves the conductivity of hBNNWs, which assists in transporting the electrons efficiently from NCD to hBNNWs that results in better field emission of electrons with high life-time stability. (C) 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000388321500017	Publication Date	2016-09-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.775	Times cited	5	Open Access
	Notes	The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Projects G.0456.12 and G.0044.13N, the Methusalem “NANO” network. K. J. Sankaran, P. Pobedinskas, and S. Turner are FWO Postdoctoral Fellows of the Research Foundations Flanders (FWO).			Approved	Most recent IF: 1.775
	Call Number	UA @ lucian @ c:irua:144644UA @ admin @ c:irua:144644			Serial	4655
Permanent link to this record



	Author	De Dobbelaere, C.; Lourdes Calzada, M.; Bretos, I.; Jimenez, R.; Ricote, J.; Hadermann, J.; Hardy, A.; Van Bael, M.K.
	Title	Gaining new insight into low-temperature aqueous photochemical solution deposited ferroelectric PbTiO3 films			Type	A1 Journal article
	Year	2016	Publication	Materials chemistry and physics	Abbreviated Journal	Mater Chem Phys
	Volume	174	Issue		Pages	28-40
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The nature of the low-temperature photochemical assisted formation process of ferroelectric lead titanate (PbTiO3) films is studied in the present work. Films are obtained by the deposition of an aqueous solution containing citric acid based (citrato) metal ion complexes with intrinsic UV activity. This UV activity is crucial for the aqueous photochemical solution deposition (aqueous PCSD) route being used. UV irradiation enhances the early decomposition of organics and results in improved electrical properties for the crystalline oxide film, even if the film is crystallized at low temperature. GATR-FTIR shows that UV irradiation promotes the decomposition of organic precursor components, resulting in homogeneous films if applied in the right temperature window during film processing. The organic content, morphology and crystallinity of the irradiated films, achieved at different processing atmospheres and temperatures, is studied and eventually correlated to the functional behavior of the obtained films. This is an important issue, as crystalline films obtained at low temperatures often lack ferroelectric responses. In this work, the film prepared in pure oxygen at the very low temperature of 400 degrees C and after an optimized UV treatment presents a significant remanent polarization value of P-r = 8.8 mu C cm(-2). This value is attributed to the better crystallinity, the larger grain size and the reduced porosity obtained thanks to the early film crystallization effectively achieved through the UV treatment in oxygen. (C) 2016 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000373865700005	Publication Date	2016-03-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0254-0584	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.084	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 2.084
	Call Number	UA @ lucian @ c:irua:144729			Serial	4659
Permanent link to this record



	Author	Sankaran, K.J.; Duc Quang Hoang; Korneychuk, S.; Kunuku, S.; Thomas, J.P.; Pobedinskas, P.; Drijkoningen, S.; Van Bael, M.K.; D'Haen, J.; Verbeeck, J.; Leou, K.-C.; Leung, K.T.; Lin, I.-N.; Haenen, K.
	Title	Hierarchical hexagonal boron nitride nanowall-diamond nanorod heterostructures with enhanced optoelectronic performance			Type	A1 Journal article
	Year	2016	Publication	RSC advances	Abbreviated Journal	Rsc Adv
	Volume	6	Issue	93	Pages	90338-90346
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A superior field electron emission (FEE) source made from a hierarchical heterostructure, where two-dimensional hexagonal boron nitride (hBN) nanowalls were coated on one-dimensional diamond nanorods (DNRs), is fabricated using a simple and scalable method. FEE characteristics of hBN-DNR display a low turn-on field of 6.0 V mu m(-1), a high field enhancement factor of 5870 and a high life-time stability of 435 min. Such an enhancement in the FEE properties of hBN-DNR derives from the distinctive material combination, i.e., high aspect ratio of the heterostructure, good electron transport from the DNR to the hBN nanowalls and efficient field emission of electrons from the hBN nanowalls. The prospective application of these heterostructures is further evidenced by enhanced microplasma devices using hBN-DNR as a cathode, in which the threshold voltage was lowered to 350 V, affirming the role of hBN-DNR in the improvement of electron emission.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000385451800044	Publication Date	2016-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2046-2069	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.108	Times cited	8	Open Access
	Notes	The authors like to thank the financial support of the Research Foundation Flanders (FWO) via Research Projects G.0456.12 and G.0044.13N, the Methusalem “NANO” network. KJ Sankaran, and P Pobedinskas are Postdoctoral Fellows of the Research Foundation-Flanders (FWO).			Approved	Most recent IF: 3.108
	Call Number	UA @ lucian @ c:irua:144757UA @ admin @ c:irua:144757			Serial	4662
Permanent link to this record



	Author	Semkina, A.S.; Abakumov, M.A.; Abakumov, A.M.; Nukolova, N.V.; Chekhonin, V.P.
	Title	Relationship between the Size of Magnetic Nanoparticles and Efficiency of MRT Imaging of Cerebral Glioma in Rats			Type	A1 Journal article
	Year	2016	Publication	Bulletin of experimental biology and medicine	Abbreviated Journal	B Exp Biol Med+
	Volume	161	Issue	2	Pages	292-295
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	BSA-coated Fe3O4 nanoparticles with different hydrodynamic diameters (36 +/- 4 and 85 +/- 10 nm) were synthesized, zeta potential and T2 relaxivity were determined, and their morphology was studied by transmission electron microscopy. Studies on rats with experimental glioma C6 showed that smaller nanoparticles more effectively accumulated in the tumor and circulated longer in brain vessels. Optimization of the hydrodynamic diameter improves the efficiency of MRT contrast agent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000380118500022	Publication Date	2016-07-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0007-4888	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.456	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 0.456
	Call Number	UA @ lucian @ c:irua:144707			Serial	4684
Permanent link to this record



	Author	Thomassen, G.; Egiguren Vila, U.; Van Dael, M.; Lemmens, B.; Van Passel, S.
	Title	A techno-economic assessment of an algal-based biorefinery			Type	A1 Journal article
	Year	2016	Publication	Clean Technologies And Environmental Policy	Abbreviated Journal	Clean Technol Envir
	Volume	18	Issue	6	Pages	1849-1862
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Economic and technological assessments have identified difficulties with the commercialization of bulk products from microalgae, like biofuels. To overcome these problems, a multi-product algal-based biorefinery has been proposed. This paper performs a techno-economic assessment of such a biorefinery. Four production pathways, ranging from a base case with commercial technologies to an improved case with innovative technologies, are analyzed. All region-specific parameters were adapted to Belgian conditions. Three scenarios result in techno-economically viable production plants. The most profitable scenario is the scenario which uses a specialized membrane for medium recycling and an open pond algae cultivation. Although the inclusion of a photobioreactor decreases the culture medium costs, the higher investment costs result in lower economic profits. The carotenoid content and price are identified as critical parameters. Furthermore, the economies of scale assumption for the photobioreactor is critical for the feasibility of this cultivation technology. The techno-economic assessment is an important methodology to guide and evaluate further improvements in research and shorten the time-to-market for innovative technologies in this field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000384470700017	Publication Date	2016-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1618-954x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	3.331	Times cited	24	Open Access
	Notes	; We would like to thank Herman Beckers, Metin Bulut, Frans Snijkers, Joris van der Have, Jan Vanderheyden, Leen Bastiaens, and Lies Eykens for the provision of technological and economic data and the useful discussions on the assumptions in the model. We would also like to thank Eva Cordery for proofreading the article and the anonymous reviewers for their valuable feedback and suggestions. Furthermore, we gratefully acknowledge the financial support of the Fundacion Novia Salcedo. ;			Approved	Most recent IF: 3.331
	Call Number	UA @ admin @ c:irua:139027			Serial	6262
Permanent link to this record



	Author	Hosseininia, G.; Rafiaani Khachak, P.; Nooripoor, M.; Van Passel, S.; Azadi, H.
	Title	Understanding communicational behavior among rangelands' stakeholders : application of social network analysis			Type	A1 Journal article
	Year	2016	Publication	Journal Of Environmental Planning And Management	Abbreviated Journal	J Environ Plann Man
	Volume	59	Issue	2	Pages	320-341
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Understanding communicational behavior of rangelands stakeholders is fundamental for effective development of rangeland management plans. This study aimed to understand differences between stakeholders relations among various actors involved in rangeland management using social network analysis (SNA). A survey was conducted on 334 stakeholders (89 extension agents, 110 researchers and 135 executive agents) in the Tehran province, Iran. Results showed that all the three groups of stakeholders are interested in making contact mainly within their own group. Furthermore, while the executive agents have shared the strongest technical and friendship relations with the two other groups, the extension agents established the strongest administrative interactions. The researchers, however, made a poor link especially with the extension agents. The study concluded that SNA could be an efficient tool to assess communicational behavior in rangeland management.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000366383400008	Publication Date	2015-03-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0964-0568	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.56	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 1.56
	Call Number	UA @ admin @ c:irua:136755			Serial	6274
Permanent link to this record



	Author	De Schepper, E.; Van Passel, S.; Lizin, S.; Vincent, T.; Martin, B.; Gandibleux, X.
	Title	Economic and environmental multi-objective optimization to evaluate the impact of Belgian policy on solar power and electric vehicles			Type	A1 Journal article
	Year	2016	Publication	Journal of environmental economics and policy	Abbreviated Journal
	Volume	5	Issue	1	Pages	1-27
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	This research uses multi-objective optimisation to determine the optimal mixture of energy and transportation technologies, while optimising economic and environmental impacts. We demonstrate the added value of using multi-objective mixed integer linear programming (MOMILP) considering economies of scale versus using continuous multi-objective linear programming assuming average cost intervals. This paper uses an improved version to solve MOMILPs exactly. To differentiate optimal solutions with and without subsidies, the impact of policy on the Pareto frontier is assessed. We distinguish between minimising economic life cycle costs (complete rationality) and required investments (bounded rationality). The approach is illustrated using a Belgian company with demands for electricity and transport. Electricity technologies are solar photovoltaics and the grid; transportation includes internal combustion engine vehicles, grid powered battery electric vehicles (BEVs), and solar-powered BEVs. The impact of grid powered BEVs to reduce GHG emissions is limited, yet they are less costly than solar panels to decrease emissions. Current policy measures are found to be properly targeting rational investors who consider life cycle costs, while private (potentially bounded rational) investors often focus on required investments only.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2015-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2160-6544	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:136756			Serial	6186
Permanent link to this record



	Author	Vanschoenwinkel, J.; Mendelsohn, R.; Van Passel, S.
	Title	Do Western and Eastern Europe have the same agricultural climate response? Taking adaptive capacity into account			Type	A1 Journal article
	Year	2016	Publication	Global Environmental Change-Human And Policy Dimensions	Abbreviated Journal	Global Environ Chang
	Volume	41	Issue		Pages	74-87
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Current cross-sectional methodologies measuring climate change impacts assume that regions at the same latitude face a similar climate response and therefore have the same adaptive capacity. This paper proves that assumption to be erroneous in the European Union. It does so by ameliorating the Ricardian methodology by restricting which farmers (and therefore which adaptation options) are allowed in the dataset. In doing so, a comparative Ricardian methodology is suggested that makes it possible to examine, for the first time, how the climate responsiveness of a region changes if adaptive capacity changes. The paper combines climate, soil, geographic, socio-economic, and farm-level data in a linear mixed-effect model and examines whether Eastern and Western Europe have the same climate responses and how these responses change if regional adaptive capacity increases. The paper concludes that both regions currently have a significantly different climate response, but that if Eastern Europe were to implement the same adaptation options as Western Europe, it could avoid a large decrease in land value and even benefit from climate change depending on the climate scenario.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000389732700007	Publication Date	2016-09-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-3780; 1872-9495	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	6.327	Times cited	8	Open Access
	Notes	; Steven Van Passel would kindly want to express his gratitude towards DG AGRI for access to the Farm Accountancy Data Network (FADN). The authors also thank the reviewers of this journal for their improvements to the final manuscript and they are grateful for the comments and suggestions they received at the conferences where this paper has been presented (IAMO forum 2015, EAAE PhD workshop 2015, Belgian PhD symposium 2015, EAERE conference 2016). Janka Vanschoenwinkel also wants to thank FWO and the Doctoral Schools of Hasselt University for giving a mobility grant to go to the EAAE PhD workshop in Rome. ;			Approved	Most recent IF: 6.327
	Call Number	UA @ admin @ c:irua:139026			Serial	6185
Permanent link to this record



	Author	Ghanian, M.; Ghoochani, O.M.; Kitterlin, M.; Jahangiry, S.; Zarafshani, K.; Van Passel, S.; Azadi, H.
	Title	Attitudes of agricultural experts toward genetically modified crops : a case study in Southwest Iran			Type	A1 Journal article
	Year	2016	Publication	Science And Engineering Ethics	Abbreviated Journal	Sci Eng Ethics
	Volume	22	Issue	2	Pages	509-524
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	The production of genetically modified (GM) crops is growing around the world, and with it possible opportunities to combat food insecurity and hunger, as well as solutions to current problems facing conventional agriculture. In this regard the use of GMOs in food and agricultural applications has increased greatly over the past decade. However, the development of GM crops has been a matter of considerable interest and worldwide public controversy. This, in addition to skepticism, has stifled the use of this practice on a large scale in many areas, including Iran. It stands to reason that a greater understanding of this practice could be formed after a review of the existing expert opinions surrounding GM crops. Therefore, the purpose of this study was to analyze the predictors that influence agricultural experts attitudes toward the development of and policies related to GM crops. Using a descriptive correlational research method, questionnaire data was collected from 65 experts from the Agricultural Organization in the Gotvand district in Southwest Iran. Results indicated that agricultural experts were aware of the environmental benefits and possible risks associated with GM crops. The majority of participants agreed that GM crops could improve food security and accelerate rural development, and were proponents of labeling practices for GM crops. Finally, there was a positive correlation between the perception of benefits and attitudes towards GM crops.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000373378100011	Publication Date	2015-06-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1353-3452	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.229	Times cited	5	Open Access
	Notes	; ;			Approved	Most recent IF: 2.229
	Call Number	UA @ admin @ c:irua:136751			Serial	6158
Permanent link to this record



	Author	Azadi, H.; Akbar Barati, A.; Rafiaani, P.; Raufirad, V.; Zarafshani, K.; Mamoorian, M.; Van Passel, S.; Lebailly, P.
	Title	Agricultural land conversion drivers in Northeast Iran : application of structural equation model			Type	A1 Journal article
	Year	2016	Publication	Applied Spatial Analysis And Policy	Abbreviated Journal	Appl Spat Anal Polic
	Volume	9	Issue	4	Pages	591-609
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Identifying driving forces behind agricultural land conversion (ALC) remains one of the most difficult challenges that agricultural and environmental scientists must continually deal with. The difficulty emerges from the fact that in ALC, multiple actions and interactions between different factors (i.e., economic, political, environmental, biophysical, institutional, and cultural) exist and make it difficult to understand the function of the processes behind the changes. The phenomenon of ALC in different countries is varied in terms of intensity, trends and drivers. The main goal of this study was to understand these drivers in Northeast Iran through applying structural equation model (SEM). Using multi-stage stratified random sampling, 101 executive officers participated in the study. Data were collected through a structured questionnaire. A multi-stakeholder analysis and a mixed-method (qualitative and quantitative) approach were applied. Results revealed that not only from the policy makers perspective but also based on the SEM, economic, political, technological, social and environmental factors should respectively be the five major drivers of ALC. The results also showed that among other drivers, more profitability of non-agriculture sectors, excessive rising of land prices, farmers income instability, land fragmentation, urban sprawl and inheritance laws are the main six causes of ALC. Hence, it can be concluded that policy-makers and planners need to take these drivers and subsidiaries more into consideration in order to properly respond to ALC.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000387410900008	Publication Date	2015-06-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1874-463x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.825	Times cited	6	Open Access
	Notes	; ;			Approved	Most recent IF: 1.825
	Call Number	UA @ admin @ c:irua:136749			Serial	6148
Permanent link to this record



	Author	de Mey, Y.; Wauters, E.; Schmid, D.; Lips, M.; Vancauteren, M.; Van Passel, S.
	Title	Farm household risk balancing : empirical evidence from Switzerland			Type	A1 Journal article
	Year	2016	Publication	European Review Of Agricultural Economics	Abbreviated Journal	Eur Rev Agric Econ
	Volume	43	Issue	4	Pages
	Keywords	A1 Journal article; Economics
	Abstract	Empirical evidence on household risk balancing behaviour is presented by estimating a fixed effects seemingly unrelated regression model using Swiss Farm Accountancy Data Network data. We find that in response to changes in expected business risks, Swiss farm households not only make strategic farm financial risk decisions (original risk balancing), but also make strategic off-farm decisions (household risk balancing) by altering their share of off-farm income and relative consumption. Small farms appear to make more use of household risk balancing strategies whereas large farms conversely make more use of the original risk balancing strategy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000386026600005	Publication Date	2015-11-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0165-1587; 1464-3618	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	1.6	Times cited	15	Open Access
	Notes	; This research was funded by a scholarship from the Agency for Innovation by Science and Technology (IWT) in Flanders. The authors are very grateful to Ludwig Lauwers and Frankwin van Winsen for many helpful discussions. They also thank the editor and two anonymous reviewers for their constructive comments and conference/workshop participants from ART, BAAE, EAAE, KU Leuven and WUR for excellent comments on earlier versions of the article. The views expressed in this article are those of the authors and do not necessarily reflect those of the Agroscope Institute for Sustainability Sciences ISS. ;			Approved	Most recent IF: 1.6
	Call Number	UA @ admin @ c:irua:138183			Serial	6202
Permanent link to this record



	Author	Dabaghmanesh, S.; Neyts, E.C.; Partoens, B.
	Title	van der Waals density functionals applied to corundum-type sesquioxides : bulk properties and adsorption of CH₃ and C₆H₆ on (0001) surfaces			Type	A1 Journal article
	Year	2016	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	18	Issue	18	Pages	23139-23146
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	van der Waals (vdW) forces play an important role in the adsorption of molecules on the surface of solids. However, the choice of the most suitable vdW functional for different systems is an essential problem which must be addressed for different systems. The lack of a systematic study on the performance of the vdW functionals in the bulk and adsorption properties of metal-oxides motivated us to examine different vdW approaches and compute the bulk and molecular adsorption properties of alpha-Cr2O3, alpha-Fe2O3, and alpha-Al2O3. For the bulk properties, we compared our results for the heat of formation, cohesive energy, lattice parameters and bond distances between the different vdW functionals and available experimental data. Next we studied the adsorption of benzene and CH3 molecules on top of different oxide surfaces. We employed different approximations to exchange and correlation within DFT, namely, the Perdew-Burke-Ernzerhof (PBE) GGA, (PBE)+U, and vdW density functionals [ DFT(vdW-DF/DF2/optPBE/optB86b/optB88)+U] as well as DFT-D2/D3(+U) methods of Grimme for the bulk calculations and optB86b-vdW(+U) and DFT-D2(+U) for the adsorption energy calculations. Our results highlight the importance of vdW interactions not only in the adsorption of molecules, but importantly also for the bulk properties. Although the vdW contribution in the adsorption of CH3 (as a chemisorption interaction) is less important compared to the adsorption of benzene (as a physisorption interaction), this contribution is not negligible. Also adsorption of benzene on ferryl/chromyl terminated surfaces shows an important chemisorption contribution in which the vdW interactions become less significant.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000382109300040	Publication Date	2016-07-27
	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; WoS citing articles
	Impact Factor	4.123	Times cited	6	Open Access
	Notes	; This work was supported by the Strategic Initiative Materials in Flanders (SIM). 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: 4.123
	Call Number	UA @ lucian @ c:irua:135701			Serial	4311
Permanent link to this record



	Author	Mao, J.; Jiang, Y.; Moldovan, D.; Li, G.; Watanabe, K.; Taniguchi, T.; Masir, M.R.; Peeters, F.M.; Andrei, E.Y.
	Title	Realization of a tunable artificial atom at a supercritically charged vacancy in graphene			Type	A1 Journal article
	Year	2016	Publication	Nature physics	Abbreviated Journal	Nat Phys
	Volume	12	Issue	12	Pages	545-549
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Graphene’s remarkable electronic properties have fuelled the vision of a graphene-based platform for lighter, faster and smarter electronics and computing applications. One of the challenges is to devise ways to tailor graphene’s electronic properties and to control its charge carriers. Here we show that a single-atom vacancy in graphene can stably host a local charge and that this charge can be gradually built up by applying voltage pulses with the tip of a scanning tunnelling microscope. The response of the conduction electrons in graphene to the local charge is monitored with scanning tunnelling and Landau level spectroscopy, and compared to numerical simulations. As the charge is increased, its interaction with the conduction electrons undergoes a transition into a supercritical regime where itinerant electrons are trapped in a sequence of quasi-bound states which resemble an artificial atom. The quasi-bound electron states are detected by a strong enhancement of the density of states within a disc centred on the vacancy site which is surrounded by halo of hole states. We further show that the quasi-bound states at the vacancy site are gate tunable and that the trapping mechanism can be turned on and off, providing a mechanism to control and guide electrons in graphene.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000377475700011	Publication Date	2016-02-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1745-2473	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	22.806	Times cited	93	Open Access
	Notes	; Funding was provided by DOE-FG02-99ER45742 (STM/STS), NSF DMR 1207108 (fabrication and characterization). Theoretical work supported by ESF-EUROCORES-EuroGRAPHENE, FWO-VI and Methusalem programme of the Flemish government. We thank V. F. Libisch, M. Pereira and E. Rossi for useful discussions. ;			Approved	Most recent IF: 22.806
	Call Number	c:irua:134210			Serial	4011
Permanent link to this record



	Author	Van Duppen, B.; Tomadin, A.; Grigorenko, A.N.; Polini, M.
	Title	Current-induced birefringent absorption and non-reciprocal plasmons in graphene			Type	A1 Journal article
	Year	2016	Publication	2D materials	Abbreviated Journal	2D Mater
	Volume	3	Issue	3	Pages	015011
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present extensive calculations of the optical and plasmonic properties of a graphene sheet carrying a dc current. By calculating analytically the density-density response function of current-carrying states at finite temperature, we demonstrate that an applied dc current modifies the Pauli blocking mechanism and that absorption acquires a birefringent character with respect to the angle between the in-plane light polarization and current flow. Employing the random phase approximation at finite temperature, we show that graphene plasmons display a degree of non-reciprocity and collimation that can be tuned with the applied current. We discuss the possibility to measure these effects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000373936300031	Publication Date	2016-02-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.937	Times cited	5	Open Access
	Notes	This work was supported by the EC under the Graphene Flagship program (contract no. CNECT- ICT-604391) and MIUR through the program ‘Pro- getti Premiali 2012’ – Project ‘ABNANOTECH’. B.V. D. wishes to thank the Scuola Normale Superiore (Pisa, Italy) for the kind hospitality while this work was carried out and Research Foundation Flanders (FWO- Vl) for a PhD Fellowship.			Approved	Most recent IF: 6.937
	Call Number	c:irua:131900 c:irua:131900			Serial	4017
Permanent link to this record



	Author	Abdullah, H.M.; Zarenia, M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B.
	Title	Gate tunable layer selectivity of transport in bilayer graphene nanostructures			Type	A1 Journal article
	Year	2016	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	113	Issue	113	Pages	17006
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recently it was found that bilayer graphene may exhibit regions with and without van der Waals coupling between the two layers. We show that such structures can exhibit a strong layer selectivity when current flows through the coupled region and that this selectivity can be tuned by means of electrostatic gating. Analysing how this effect depends on the type of bilayer stacking, the potential on the gates and the smoothness of the boundary between the coupled and decoupled regions, we show that nearly perfect layer selectivity is achievable in these systems. This effect can be further used to realise a tunable layer switch.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000371479500024	Publication Date	2016-01-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0295-5075	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.957	Times cited	15	Open Access
	Notes	HMA and HB acknowledge the support of the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of King Fahd University of Petroleum and Minerals under physics research group projects RG1306-1 and RG01306-2. This work is supported by the Flemish Science Foundation (FWO-Vl) by a PhD grant (BVD) and a post-doctoral fellowship (MZ).			Approved	Most recent IF: 1.957
	Call Number	c:irua:131909 c:irua:131909			Serial	4037
Permanent link to this record



	Author	da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M.
	Title	Magnetic field dependence of energy levels in biased bilayer graphene quantum dots			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	085401
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the tight-binding approach, we study the influence of a perpendicular magnetic field on the energy levels of hexagonal, triangular, and circular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We obtain the energy levels for AB (Bernal)-stacked BLG QDs in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). We find different regions in the spectrum of biased QDs with respect to the crossing point between the lowest-electron and -hole Landau levels of a biased BLG sheet. Those different regions correspond to electron states that are localized at the center, edge, or corner of the BLG QD. Quantum Hall corner states are found to be absent in circular BLG QDs. The spatial symmetry of the carrier density distribution is related to the symmetry of the confinement potential, the position of zigzag edges, and the presence or absence of interlayer inversion symmetry.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000369402400008	Publication Date	2016-02-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	22	Open Access
	Notes	; This work was financially supported by CNPq, under Contract No. NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the Process No. BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). ;			Approved	Most recent IF: 3.836
	Call Number	c:irua:131623			Serial	4038
Permanent link to this record



	Author	Leenaerts, O.; Vercauteren, S.; Schoeters, B.; Partoens, B.
	Title	System-size dependent band alignment in lateral two-dimensional heterostructures			Type	A1 Journal article
	Year	2016	Publication	2D materials	Abbreviated Journal	2D Mater
	Volume	3	Issue	3	Pages	025012
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic band alignment in semiconductor heterostructures is a key factor for their use in electronic applications. The alignment problem has been intensively studied for bulk systems but is less well understood for low-dimensional heterostructures. In this work we investigate the alignment in two-dimensional lateral heterostructures. First-principles calculations are used to show that the electronic band offset depends crucially on the width and thickness of the heterostructure slab. The particular heterostructures under study consist of thin hydrogenated and fluorinated diamond slabs which are laterally joined together. Two different limits for the band offset are observed. For infinitely wide heterostructures the vacuum potential above the two materials is aligned leading to a large step potential within the heterostructure. For infinitely thick heterostructure slabs, on the other hand, there is no potential step in the heterostructure bulk, but a large potential step in the vacuum region above the heterojunction is observed. The band alignment in finite systems depends on the particular dimensions of the system. These observations are shown to result from an interface dipole at the heterojunction that tends to align the band structures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000378571400032	Publication Date	2016-04-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.937	Times cited	19	Open Access
	Notes	This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government— department EWI.			Approved	Most recent IF: 6.937
	Call Number	c:irua:132792 c:irua:132792			Serial	4055
Permanent link to this record



	Author	Saqlain, M.A.; Hussain, A.; Siddiq, D.M.; Leenaerts, O.; Leitão, A.A.
	Title	DFT Study of Synergistic Catalysis of the Water-Gas-Shift Reaction on Cu-Au Bimetallic Surfaces			Type	A1 Journal article
	Year	2016	Publication	ChemCatChem	Abbreviated Journal	Chemcatchem
	Volume	8	Issue	8	Pages	1208-1217
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The water-gas-shift reaction (WGSR) is an important industrial process that can be significantly enhanced at suitable catalyst surfaces. In this work, we investigate the catalytic behavior of metallic Cu(1 0 0) and bimetallic Cu–Au(1 0 0) surfaces. With density functional theory calculations, the variation in the Gibbs free energy (ΔG°), the activation barriers, and the rate constants for the WGSR are calculated. The variation in ΔG° for water dissociation shows that the process is spontaneous up to 520 K on the bimetallic surface and up to 229 K on the Cu(1 0 0) surface. The calculated rate constants for the process also show that the bimetallic surface is much more reactive than the Cu(1 0 0) surface. The calculated pressure–temperature phase diagram for water dissociation shows that the partial pressure of H2O required for water dissociation on the bimetallic surface is substantially lower than that on the Cu(1 0 0) surface at all the studied temperatures. Additionally, the calculations demonstrate that the kinetics of the water-gas-shift reaction is dominated by redox processes on both the surfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000373074900026	Publication Date	2016-02-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1867-3880	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.803	Times cited	8	Open Access
	Notes	; The authors would like to thank the Brazilian agencies CNPq, CAPES, FAPEMIG (CEX-PPM-00262/13), and TWAS for financial support and CENAPAD-SP for computational facilities. M.A. Saqlain pays special thanks to all the members of GFQSI for making his stay in Brazil memorable. ;			Approved	Most recent IF: 4.803
	Call Number	c:irua:133236			Serial	4070
Permanent link to this record



	Author	Mulkers, J.; Milošević, M.V.; Van Waeyenberge, B.
	Title	Cycloidal versus skyrmionic states in mesoscopic chiral magnets			Type	A1 Journal article
	Year	2016	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	214405
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	When subjected to the interfacially induced Dzyaloshinskii-Moriya interaction, the ground state in thin ferromagnetic films with high perpendicular anisotropy is cycloidal. The period of this cycloidal state depends on the strength of the Dzyaloshinskii-Moriya interaction. In this work, we have studied the effect of confinement on the magnetic ground state and excited states, and we determined the phase diagram of thin strips and thin square platelets by means of micromagnetic calculations. We show that multiple cycloidal states with different periods can be stable in laterally confined films, where the period of the cycloids does not depend solely on the Dzyaloshinskii-Moriya interaction strength but also on the dimensions of the film. The more complex states comprising skyrmions are also found to be stable, though with higher energy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000377298600006	Publication Date	2016-06-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	28	Open Access
	Notes	; ;			Approved	Most recent IF: 3.836
	Call Number	c:irua:133919			Serial	4081
Permanent link to this record



	Author	Aierken, Y.; Leenaerts, O.; Peeters, F.M.
	Title	A first-principles study of stable few-layer penta-silicene			Type	A1 Journal article
	Year	2016	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	18	Issue	18	Pages	18486-18492
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recently penta-graphene was proposed as a stable two-dimensional carbon allotrope consisting of a single layer of interconnected carbon pentagons [Zhang et al., PNAS, 2015, 112, 2372]. Its silicon counterpart, penta-silicene, however, is not stable. In this work, we show that multilayers of penta-silicene form stable materials with semiconducting or metallic properties, depending on the stacking mode. We demonstrate their dynamic stability through their phonon spectrum and using molecular dynamics. A particular type of bilayer penta-silicene is found to have lower energy than all of the known hexagonal silicene bilayers and forms therefore the most stable bilayer silicon material predicted so far. The electronic and mechanical properties of these new silicon allotropes are studied in detail and their behavior under strain is investigated. We demonstrate that strain can be used to tune its band gap.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000379486200077	Publication Date	2016-06-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	42	Open Access
	Notes	; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-department EWI. ;			Approved	Most recent IF: 4.123
	Call Number	UA @ lucian @ c:irua:134942			Serial	4132
Permanent link to this record



	Author	Guidini, A.; Flammia, L.; Milošević, M.V.; Perali, A.
	Title	BCS-BEC crossover in quantum confined superconductors			Type	A1 Journal article
	Year	2016	Publication	Journal of superconductivity and novel magnetism	Abbreviated Journal	J Supercond Nov Magn
	Volume	29	Issue	29	Pages	711-715
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ultranarrow superconductors are in the strong quantum confinement regime with formation of multiple coherent condensates associated with the many subbands of the electronic structure. Here, we analyze the multiband BCS-BEC crossover induced by the chemical potential tuned close to a subband bottom, in correspondence of a superconducting shape resonance. The evolution of the condensate fraction and of the pair correlation length in the ground state as functions of the chemical potential demonstrates the tunability of the BCS-BEC crossover for the condensate component of the selected subband. The extension of the crossover regime increases when the pairing strength and/or the characteristic energy of the interaction get larger. Our results indicate the coexistence of large and small Cooper pairs in the crossover regime, leading to the optimal parameter configuration for high transition temperature superconductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000371089500034	Publication Date	2015-12-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1557-1939	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.18	Times cited	12	Open Access
	Notes	; We acknowledge A. Bianconi and A.A. Shanenko for useful discussions. A.P. acknowledges financial support from the University of Camerino under the project FAR “Control and enhancement of superconductivity by engineering materials at the nanoscale”. M.V.M. acknowledges support from the Research Foundation – Flanders (FWO) and the Special Research Funds of the University of Antwerp (BOF-UA). A.P. and M.V.M. acknowledge the collaboration within the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions. ;			Approved	Most recent IF: 1.18
	Call Number	UA @ lucian @ c:irua:132287			Serial	4143
Permanent link to this record



	Author	Bacaksiz, C.; Cahangirov, S.; Rubio, A.; Senger, R.T.; Peeters, F.M.; Sahin, H.
	Title	Bilayer SnS₂ : tunable stacking sequence by charging and loading pressure			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	125403
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS2, which is a recently synthesized monolayer metal dichalcogenide. Comparison of the 1H and 1T phases of monolayer SnS2 confirms the ground state to be the 1T phase. In its bilayer structure we examine different stacking configurations of the two layers. It is found that the interlayer coupling in bilayer SnS2 is weaker than that of typical transition-metal dichalcogenides so that alternative stacking orders have similar structural parameters and they are separated with low energy barriers. A possible signature of the stacking order in the SnS2 bilayer has been sought in the calculated absorbance and reflectivity spectra. We also study the effects of the external electric field, charging, and loading pressure on the characteristic properties of bilayer SnS2. It is found that (i) the electric field increases the coupling between the layers at its preferred stacking order, so the barrier height increases, (ii) the bang gap value can be tuned by the external E field and under sufficient E field, the bilayer SnS2 can become a semimetal, (iii) the most favorable stacking order can be switched by charging, and (iv) a loading pressure exceeding 3 GPa changes the stacking order. The E-field tunable band gap and easily tunable stacking sequence of SnS2 layers make this 2D crystal structure a good candidate for field effect transistor and nanoscale lubricant applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000371405000005	Publication Date	2016-03-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	38	Open Access
	Notes	; The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B., H.S., and R.T.S. acknowledge support from TUBITAK Project No. 114F397. H.S. is supported by an FWO Pegasus Marie Curie Fellowship. S.C. and A.R. acknowledge financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, the European Research Council (ERC-2010-AdG-267374), and Spanish grant Grupos Consolidados (IT578-13). S.C. acknowledges support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:132345			Serial	4144
Permanent link to this record



	Author	Agarwal, T.; Sorée, B.; Radu, I.; Raghavan, P.; Fiori, G.; Iannaccone, G.; Thean, A.; Heyns, M.; Dehaene, W.
	Title	Comparison of short-channel effects in monolayer MoS₂ based junctionless and inversion-mode field-effect transistors			Type	A1 Journal article
	Year	2016	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	108	Issue	108	Pages	023506
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Conventional junctionless (JL) multi/gate (MuG) field-effect transistors (FETs) require extremely scaled channels to deliver high on-state current with low short-channel effect related leakage. In this letter, using ultra-thin 2D materials (e.g., monolayer MoS2), we present comparison of short-channel effects in JL, and inversion-mode (IM) FETs. We show that JL FETs exhibit better sub-threshold slope (S.S.) and drain-induced-barrier-lowering (DIBL) in comparison to IM FETs due to reduced peak electric field at the junctions. But, threshold voltage (VT) roll-off with channel length downscaling is found to be significantly higher in JL FETs than IM FETs, due to higher source/drain controlled charges (dE/dx) in the channel. Further, we show that although VT roll-off in JL FETs improves by increasing the gate control, i.e., by scaling the oxide, or channel thickness, the sensitivity of threshold voltage on structural parameters is found out to be high. (C) 2016 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000370258400056	Publication Date	2016-01-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	13	Open Access
	Notes	; ;			Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:132318			Serial	4152
Permanent link to this record



	Author	Sahin, H.; Torun, E.; Bacaksiz, C.; Horzum, S.; Kang, J.; Senger, R.T.; Peeters, F.M.
	Title	Computing optical properties of ultra-thin crystals			Type	A1 Journal article
	Year	2016	Publication	Wiley Interdisciplinary Reviews: Computational Molecular Science	Abbreviated Journal	Wires Comput Mol Sci
	Volume	6	Issue	6	Pages	351-368
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2 , MoSe2, WS2, WSe2, h-AlN, h-BN, fluorographene, and graphane). Ultra-thin crystals are atomically thick-layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational, and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory. (C) 2016 John Wiley & Sons, Ltd WIREs Comput Mol Sci 2016, 6:351-368. doi: 10.1002/wcms.1252 For further resources related to this article, please visit the .
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000379267300002	Publication Date	2016-02-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1759-0876	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	14.016	Times cited	14	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. J.K. is supported by a FWO Pegasus short Marie Curie Fellowship. ;			Approved	Most recent IF: 14.016
	Call Number	UA @ lucian @ c:irua:134649			Serial	4155
Permanent link to this record



	Author	Yang, S.; Kang, J.; Yue, Q.; Coey, J.M.D.; Jiang, C.
	Title	Defect-modulated transistors and gas-enhanced photodetectors on ReS₂ nanosheets			Type	A1 Journal article
	Year	2016	Publication	Advanced Materials Interfaces	Abbreviated Journal	Adv Mater Interfaces
	Volume	3	Issue	3	Pages	1500707
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000373149400011	Publication Date	2016-01-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2196-7350;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.279	Times cited	22	Open Access
	Notes	; This work was supported by the National Natural Science Foundations of China (NSFC) under Grant No.51331001. The authors thank S. Tongay for giving them the ReS<INF>2</INF> crystals. ;			Approved	Most recent IF: 4.279
	Call Number	UA @ lucian @ c:irua:133232			Serial	4159
Permanent link to this record



	Author	Roy, P.; Torun, E.; de Groot, R.A.
	Title	Effect of doping and elastic properties in (Mn,Fe)₂(Si,P)			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	094110
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Mixed magnetism (the coexistence of strong and weak magnetism in one material) is regarded as the origin of the giant magnetocaloric effect (GMCE). A good example is (Mn,Fe)(2)(Si,P), which is established as one of the best magnetocaloric materials available. Tuning the material properties are essential for optimizing its performance, and a straightforward way to do that is by doping. In this article, an ab initio electronic structure method was used to calculate the structure and magnetic properties of 3d-transition-metal-doped (Mn,Fe)(2)(Si,P) materials for magnetocaloric applications (transition metals are Cr, Co, Mn, Ni, Cu). For a steady performance, the material should be mechanically stable. A detailed analysis of the elastic constants shows that the mechanical stability of the (Mn,Fe)(2)(Si,P) system increases significantly by doping with boron without affecting the magnetic properties. Insights of the influence of doping enable future studies to understand and predict bettermagnetocaloric materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000372712100001	Publication Date	2016-03-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	9	Open Access
	Notes	; This work is part of an Industrial Partnership Programme (IPP I28) of Fundamenteel Onderzoek der Materie (FOM) (The Netherlands) and co-financed by BASF New Business. The authors would like to thank Phuong Thao Nguyen and Dr. Gilles A. de Wijs for very useful discussions. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:133192			Serial	4164
Permanent link to this record



	Author	Craco, L.; Carara, S.S.; da Silva Pereira, T.A.; Milošević, M.V.
	Title	Electronic states in an atomistic carbon quantum dot patterned in graphene			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	155417
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We reveal the emergence of metallicKondo clouds in an atomistic carbon quantum dot, realized as a single-atom junction in a suitably patterned graphene nanoflake. Using density functional dynamical mean-field theory (DFDMFT) we show how correlation effects lead to striking features in the electronic structure of our device, and how those are enhanced by the electron-electron interactions when graphene is patterned at the atomistic scale. Our setup provides a well-controlled environment to understand the principles behind the orbital-selective Kondo physics and the interplay between orbital and spin degrees of freedom in carbon-based nanomaterials, which indicate new pathways for spintronics in atomically patterned graphene.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000373760900004	Publication Date	2016-04-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	6	Open Access
	Notes	; L.C.'s work is supported by CNPq (Proc. No. 307487/2014-8). Acknowledgment (L.C.) is also made to G. Seifert for discussions and the Department of Theoretical Chemistry at Technical University Dresden for hospitality. T.A.S.P. thanks PRONEX/CNPq/FAPEMAT 850109/2009 for financial support. M.V.M. acknowledges support from Research Foundation-Flanders (FWO), TOPBOF, and the CAPES-PVE program. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:133260			Serial	4171
Permanent link to this record



	Author	Mirzakhani, M.; Zarenia, M.; Ketabi, S.A.; da Costa, D.R.; Peeters, F.M.
	Title	Energy levels of hybrid monolayer-bilayer graphene quantum dots			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	165410
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000373572700004	Publication Date	2016-04-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	26	Open Access
	Notes	; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO)-CNPq project between Flanders and Brazil and the Brazilian Science Without Borders program. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:133261			Serial	4174
Permanent link to this record