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| Author | Benedoue, S.; Benedet, M.; Gasparotto, A.; Gauquelin, N.; Orekhov, A.; Verbeeck, J.; Seraglia, R.; Pagot, G.; Rizzi, G.A.; Balzano, V.; Gavioli, L.; Noto, V.D.; Barreca, D.; Maccato, C. | ||||
| Title | Insights into the Photoelectrocatalytic Behavior of gCN-Based Anode Materials Supported on Ni Foams | Type | A1 Journal article | ||
| Year | 2023 | Publication | Nanomaterials | Abbreviated Journal | Nanomaterials-Basel |
| Volume | 13 | Issue | 6 | Pages | 1035 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Graphitic carbon nitride (gCN) is a promising n-type semiconductor widely investigated for photo-assisted water splitting, but less studied for the (photo)electrochemical degradation of aqueous organic pollutants. In these fields, attractive perspectives for advancements are offered by a proper engineering of the material properties, e.g., by depositing gCN onto conductive and porous scaffolds, tailoring its nanoscale morphology, and functionalizing it with suitable cocatalysts. The present study reports on a simple and easily controllable synthesis of gCN flakes on Ni foam substrates by electrophoretic deposition (EPD), and on their eventual decoration with Co-based cocatalysts [CoO, CoFe2O4, cobalt phosphate (CoPi)] via radio frequency (RF)-sputtering or electrodeposition. After examining the influence of processing conditions on the material characteristics, the developed systems are comparatively investigated as (photo)anodes for water splitting and photoelectrocatalysts for the degradation of a recalcitrant water pollutant [potassium hydrogen phthalate (KHP)]. The obtained results highlight that while gCN decoration with Co-based cocatalysts boosts water splitting performances, bare gCN as such is more efficient in KHP abatement, due to the occurrence of a different reaction mechanism. The related insights, provided by a multi-technique characterization, may provide valuable guidelines for the implementation of active nanomaterials in environmental remediation and sustainable solar-to-chemical energy conversion. | ||||
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| Language | Wos | 000960297000001 | Publication Date | 2023-03-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2079-4991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.3 | Times cited | 3 | Open Access | OpenAccess |
| Notes | The present work was financially supported by CNR (Progetti di Ricerca @CNR—avviso 2020—ASSIST), Padova University (P-DiSC#04BIRD2020-UNIPD EUREKA, DOR 2020–2022), AMGA Foundation (NYMPHEA project), INSTM Consortium (INSTM21PDGASPAROTTO—NANOMAT, INSTM21PDBARMAC—ATENA) and the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717—ESTEEM3. The FWO-Hercules fund G0H4316N ‘Direct electron detector for soft matter TEM’ is also acknowledged. Many thanks are also due to Dr. Riccardo Lorenzin for his support to experimental activities.; esteem3reported; esteem3TA | Approved  |
Most recent IF: 5.3; 2023 IF: 3.553 | ||
| Call Number | EMAT @ emat @c:irua:196115 | Serial | 7378 | ||
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| Author | González-Rubio, G.; Milagres de Oliveira, T.; Albrecht, W.; Díaz-Núñez, P.; Castro-Palacio, J.C.; Prada, A.; González, R.I.; Scarabelli, L.; Bañares, L.; Rivera, A.; Liz-Marzán, L.M.; Peña-Rodríguez, O.; Bals, S.; Guerrero-Martínez, A. | ||||
| Title | Formation of Hollow Gold Nanocrystals by Nanosecond Laser Irradiation | Type | A1 Journal article | ||
| Year | 2020 | Publication | Journal Of Physical Chemistry Letters | Abbreviated Journal | J Phys Chem Lett |
| Volume | 11 | Issue | 11 | Pages | 670-677 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The irradiation of spherical gold nanoparticles (AuNPs) with nanosecond laser pulses induces shape transformations yielding nanocrystals with an inner cavity. The concentration of the stabilizing surfactant, the use of moderate pulse fluences, and the size of the irradiated AuNPs determine the efficiency of the process and the nature of the void. Hollow nanocrystals are obtained when molecules from the surrounding medium (e.g., water and organic matter derived from the surfactant) are trapped during laser pulse irradiation. These experimental observations suggest the existence of a subtle balance between the heating and cooling processes experienced by the nanocrystals, which induce their expansion and subsequent recrystallization keeping exogenous matter inside. The described approach provides valuable insight into the mechanism of interaction of pulsed nanosecond laser with AuNPs, along with interesting prospects for the development of hollow plasmonic nanoparticles with potential applications related to gas and liquid storage at the nanoscale. | ||||
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| Language | Wos | 000512223400012 | Publication Date | 2020-02-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1948-7185 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.7 | Times cited | 15 | Open Access | OpenAccess |
| Notes | This work has been funded by the Spanish Ministry of Science, Innovation and Universities (MICIU) (Grants RTI2018-095844-B-I00, PGC2018-096444-B-I00, ENE2015-70300-C3-3, and MAT2017-86659-R), the EUROfusion Consortium (Grant ENR-IFE19.CCFE-01) and the Madrid Regional Government (Grants P2018/NMT-4389 and P2018/EMT-4437). This project has received funding from the European Commission (grant 731019, EUSMI & grant 823717, ESTEEM3). The publication is based also upon work from COST Action TUMIEE (CA17126). The facilities provided by the Center for Ultrafast Lasers at Complutense University of Madrid are gratefully acknowledged. The authors also acknowledge the computer resources and technical assistance provided by the Centro de Supercomputacion y Visualizacion de Madrid (CeSViMa). L.M.L.-M. acknowledges the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant MDM-2017-0720). This project has also received funding from the European Research Council (ERC Consolidator Grant 815128, REALNANO). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (Grant 797153, SOPMEN). A.P. and R.I.G. acknowledge the support of FONDECYT under Grants 3190123 and 11180557 and Financiamiento Basal para Centros Cientificos y Tecnologicos de Excelencia FB-0807. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02).; sygma; esteem3JRA; esteem3reported | Approved |
Most recent IF: 5.7; 2020 IF: 9.353 | ||
| Call Number | EMAT @ emat @c:irua:166504 | Serial | 6334 | ||
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| Author | Cui, Z.; Hao, Y.; Jafarzadeh, A.; Li, S.; Bogaerts, A.; Li, L. | ||||
| Title | The adsorption and decomposition of SF6 over defective and hydroxylated MgO surfaces: A DFT study | Type | A1 Journal article | ||
| Year | 2023 | Publication | Surfaces and interfaces | Abbreviated Journal | |
| Volume | 36 | Issue | Pages | 102602 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma degradation is one of the most effective methods for the abatement of greenhouse gas sulfur hexafluoride (SF6). To evaluate the potential of MgO as a catalyst in plasma degradation, we investigate the catalytic properties of MgO on SF6 adsorption and activation by density functional theory (DFT) where the O-defective and hydroxylated surfaces are considered as two typical plasma-generated surfaces. Our results show that perfect MgO (001) and (111) surfaces cannot interact with SF6 and only physical adsorption happens. In case of Odefective MgO surfaces, the O vacancy is the most stable adsorption site. SF6 undergoes a decomposition to SF5 and F over the O-defective MgO (001) surface and undergoes an elongation of the bottom S-F bond over the Odefective (111) surface. Besides, SF6 shows a physically adsorption at the stepsite of the MgO (001) surface, accompanied by small changes in its bond angle and length. Furthermore, SF6 is found to be physically and chemically adsorbed over 0.5 and 1.0 ML (monolayer) H-covered O-terminated MgO (111) surfaces, respectively. The SF6 molecule undergoes a self-decomposition on the 1.0 ML hydroxylated surface via a surface bonding process. This study shows that defective and hydroxylated MgO surfaces have the surface capacities for SF6 activation, which shows that MgO has potential as packing material in SF6 waste treatment in packed-bed plasmas. |
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| Language | Wos | 000916285000001 | Publication Date | 2022-12-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2468-0230 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.2 | Times cited | Open Access | OpenAccess | |
| Notes | National Natural Science Foundation of China, 52207155 ; Fonds Wetenschappelijk Onderzoek; Vlaams Supercomputer Centrum; Vlaamse regering; | Approved |
Most recent IF: 6.2; 2023 IF: NA | ||
| Call Number | PLASMANT @ plasmant @c:irua:194364 | Serial | 7244 | ||
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| Author | González-Rubio, G.; de Oliveira, T.M.; Altantzis, T.; La Porta, A.; Guerrero-Martínez, A.; Bals, S.; Scarabelli, L.; Liz-Marzán, L.M. | ||||
| Title | Disentangling the effect of seed size and crystal habit on gold nanoparticle seeded growth | Type | A1 Journal article | ||
| Year | 2017 | Publication | Chemical communications | Abbreviated Journal | Chem Commun |
| Volume | 53 | Issue | 53 | Pages | 11360-11363 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Oxidative etching was used to produce gold seeds of different sizes and crystal habits. Following detailed characterization, the seeds were grown under different conditions. Our results bring new insights toward understanding the effect of size and crystallinity on the growth of anisotropic particles, whilst identifying guidelines for the optimisation of new synthetic protocols of predesigned seeds. | ||||
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| Language | Wos | 000412814900019 | Publication Date | 2017-09-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-7345 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.319 | Times cited | 29 | Open Access | OpenAccess |
| Notes | This work was funded by the Spanish MINECO (grant # MAT2013-46101-R, Ramon y Cajal fellowship to A. G.-M. and FPI fellowship to G. G.-R.). Financial support is acknowledged from the European Commission (EUSMI, 731019). S. B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS). T. A. acknowledges a postdoctoral grant from Research Foundation Flanders (FWO, Belgium). ECAS_Sara (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved |
Most recent IF: 6.319 | ||
| Call Number | EMAT @ emat @c:irua:146101UA @ admin @ c:irua:146101 | Serial | 4734 | ||
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| Author | Li, L.; Kong, X.; Leenaerts, O.; Chen, X.; Sanyal, B.; Peeters, F.M. | ||||
| Title | Carbon-rich carbon nitride monolayers with Dirac cones : Dumbbell C4N | Type | A1 Journal article | ||
| Year | 2017 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 118 | Issue | 118 | Pages | 285-290 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyaniline (C3N) was proposed [PNAS 113 (2016) 7414-7419]. Based on the structure model of this C3N monolayer, we propose two new carbon nitride monolayers, named dumbbell (DB) C4N-I and C4N-II. Using first-principles calculations, we systematically study the structure, stability, and band structure of these two materials. In contrast to other carbon nitride monolayers, the orbital hybridization of the C/N atoms in the DB C4N monolayers is sp(3). Remarkably, the band structures of the two DB C4N monolayers have a Dirac cone at the K point and their Fermi velocities (2.6/2.4 x 10(5) m/s) are comparable to that of graphene. This makes them promising materials for applications in high-speed electronic devices. Using a tight-binding model, we explain the origin of the Dirac cone. (C) 2017 Elsevier Ltd. All rights reserved. | ||||
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| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000401120800033 | Publication Date | 2017-03-16 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 36 | Open Access | |
| Notes | Approved |
Most recent IF: 6.337 | |||
| Call Number | UA @ lucian @ c:irua:143726 | Serial | 4588 | ||
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| Author | Li, L.; Kong, X.; Peeters, F.M. | ||||
| Title | New nanoporous graphyne monolayer as nodal line semimetal : double Dirac points with an ultrahigh Fermi velocity | Type | A1 Journal article | ||
| Year | 2019 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 141 | Issue | 141 | Pages | 712-718 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Two-dimensional (2D) carbon materials play an important role in nanomaterials. We propose a new carbon monolayer, named hexagonal-4,4,4-graphyne (H-4,H-4,H-4-graphyne), which is a nanoporous structure composed of rectangular carbon rings and triple bonds of carbon. Using first-principles calculations, we systematically studied the structure, stability, and band structure of this new material. We found that its total energy is lower than that of experimentally synthesized beta-graphdiyne and it is stable at least up to 1500 K. In contrast to the single Dirac point band structure of other 2D carbon monolayers, the band structure of H-4,H-4,H-4-graphyne exhibits double Dirac points along the high-symmetry points and the corresponding Fermi velocities (1.04-1.27 x 10(6) m/s) are asymmetric and higher than that of graphene. The origin of these double Dirac points is traced back to the nodal line states, which can be well explained by a tight-binding model. The H-4,H-4,H-4-graphyne forms a moire superstructure when placed on top of a hexagonal boron nitride substrate. These properties make H-4,H-4,H-4-graphyne a promising semimetal material for applications in high-speed electronic devices. (C) 2018 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000450312600072 | Publication Date | 2018-10-01 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.337 | Times cited | 43 | Open Access | |
| Notes | ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), and the FLAG-ERA project TRANS2DTMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government -department EWI. ; | Approved |
Most recent IF: 6.337 | ||
| Call Number | UA @ admin @ c:irua:155364 | Serial | 5222 | ||
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| Author | Hamon, C.; Novikov, S.M.; Scarabelli, L.; Solís, D.M.; Altantzis, T.; Bals, S.; Taboada, J.M.; Obelleiro, F.; Liz-Marzán, L.M. | ||||
| Title | Collective Plasmonic Properties in Few-Layer Gold Nanorod Supercrystals | Type | A1 Journal article | ||
| Year | 2015 | Publication | ACS Photonics | Abbreviated Journal | Acs Photonics |
| Volume | 2 | Issue | 2 | Pages | 1482-1488 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Gold nanorod supercrystals have been widely employed for the detection of relevant bioanalytes with detection limits ranging from nano- to picomolar levels, confirming the promising nature of these structures for biosensing. Even though a relationship between the height of the supercrystal (i.e., the number of stacked nanorod layers)and the enhancement factor has been proposed, no systematic study has been reported. In order to tackle this problem, we prepared gold nanorod supercrystals with varying numbers of stacked layers and analyzed them extensively by atomic force microscopy, electron microscopy and surface enhanced Raman scattering. The experimental results were compared to numerical simulations performed on real-size supercrystals composed of thousands of nanorod building blocks. Analysis of the hot spot distribution in the simulated supercrystals showed the presence of standing waves that were distributed at different depths, depending on the number of layers in each supercrystal. On the basis of these theoretical results, we interpreted the experimental data in terms of analyte penetration into the topmost layer only, which indicates that diffusion to the interior of the supercrystals would be crucial if the complete field enhancement produced by the stacked nanorods is to be exploited. We propose that our conclusions will be of high relevance in the design of next generation plasmonic devices. |
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| Language | Wos | 000363435600013 | Publication Date | 2015-09-03 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2330-4022 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.756 | Times cited | 70 | Open Access | OpenAccess |
| Notes | The authors are thankful to Dr. Luis Yate for assistance with sample preparation. This work was supported by the European Research Council (ERC Advanced Grant #267867 Plasmaquo and ERC Starting Grant #335078 Colouratom) and the Spanish Ministerio de Economía y Competitividad (MAT2013-46101-R). D.M.S., J.M.T., and F.O. acknowledge funding from the European Regional Development Fund (ERDF) and the Spanish Ministerio de Economiá y Competitividad (MAT2014-58201-C2-1-R, MAT2014-58201- C2-2-R, Project TACTICA), from the ERDF and the Galician Regional Government under Projects CN2012/279 and CN2012/260 (AtlantTIC) and the Plan I2C (2011−2015), and from the ERDF and the Extremadura Regional Government (Junta de Extremadura Project IB13185).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved |
Most recent IF: 6.756; 2015 IF: NA | ||
| Call Number | c:irua:129458 | Serial | 3978 | ||
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| Author | Xi, J.; Yang, S.; Silvioli, L.; Cao, S.; Liu, P.; Chen, Q.; Zhao, Y.; Sun, H.; Hansen, J.N.; Haraldsted, J.-P.B.; Kibsgaard, J.; Rossmeisl, J.; Bals, S.; Wang, S.; Chorkendorff, I. | ||||
| Title | Highly active, selective, and stable Pd single-atom catalyst anchored on N-doped hollow carbon sphere for electrochemical H₂O₂ synthesis under acidic conditions | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Catalysis | Abbreviated Journal | J Catal |
| Volume | 393 | Issue | Pages | 313-323 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Single-atom catalysts (SACs) have recently attracted broad scientific interests due to their unique structural feature, the single-atom dispersion. Optimized electronic structure as well as high stability are required for single-atom catalysts to enable efficient electrochemical production of H2O2. Herein, we report a facile synthesis method that stabilizes atomic Pd species on the reduced graphene oxide/Ndoped carbon hollow carbon nanospheres (Pd1/N-C). Pd1/N-C exhibited remarkable electrochemical H2O2 production rate with high faradaic efficiency, reaching 80%. The single-atom structure and its high H2O2 production rate were maintained even after 10,000 cycle stability test. The existence of single-atom Pd as well as its coordination with N species is responsible for its high activity, selectivity, and stability. The N coordination number and substrate doping around Pd atoms are found to be critical for an optimized adsorption energy of intermediate *OOH, resulting in efficient electrochemical H2O2 production. (C) 2020 Elsevier Inc. All rights reserved. | ||||
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| Language | Wos | 000640923500003 | Publication Date | 2020-11-26 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9517 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.844 | Times cited | 40 | Open Access | Not_Open_Access |
| Notes | This research was financially supported by the National Natural Science Foundation of China (No. 51772110), Natural Science Foundation of Hubei Province (No. 2019CFB539), Danmarks Innovationsfond within the ProActivE project (5160-00003B), Villum Foundation V-SUSTAIN grant 9455 to the Villum Center for the Science of Sustainable Fuels and Chemicals, the Carlsberg Foundation grant CF18-0435, the Institutional Research Program (2E30220) of the Korea Institute of Science and Technology (KIST), Shenzhen Science and Technology Plan under Grant (JCYJ20170818160751460) and the Open Project of Key Laboratory of Green Chemical Engineering Process of Ministry of Education (No. GCP20200205). The authors would like to acknowledge the Analytical and Testing Center of Huazhong University of Science and Technology and the Wuhan National Laboratory for Optoelectronics for SEM, TEM, Raman and XPS measurements. | Approved |
Most recent IF: 6.844 | ||
| Call Number | UA @ admin @ c:irua:178321 | Serial | 6796 | ||
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| Author | Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M. | ||||
| Title | Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene | Type | A1 Journal article | ||
| Year | 2019 | Publication | 2D materials | Abbreviated Journal | 2D Mater |
| Volume | 6 | Issue | 1 | Pages | 015032 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers. | ||||
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| Language | Wos | 000454321100002 | Publication Date | 2018-11-28 | |
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| ISSN | 2053-1583 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.937 | Times cited | 23 | Open Access | |
| Notes | ; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; | Approved |
Most recent IF: 6.937 | ||
| Call Number | UA @ admin @ c:irua:156776 | Serial | 5207 | ||
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| Author | Li, L.; Leenaerts, O.; Kong, X.; Chen, X.; Zhao, M.; Peeters, F.M. | ||||
| Title | Gallium bismuth halide GaBi-X2 (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators | Type | A1 Journal article | ||
| Year | 2017 | Publication | Nano Research | Abbreviated Journal | Nano Res |
| Volume | 10 | Issue | 10 | Pages | 2168-2180 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Quantum spin Hall (QSH) insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and their halides, which have a chair structure (regular hexagonal framework), have been widely studied. Using first-principles calculations, we formulate a new structure model for the functionalized group III-V monolayers, which consist of rectangular GaBi-X-2 (X = I, Br, Cl) monolayers with a distorted hexagonal framework (DHF). These structures have a far lower energy than the GaBi-X-2 monolayers with a chair structure. Remarkably, the DHF GaBi-X-2 monolayers are all QSH insulators, which exhibit sizeable nontrivial band gaps ranging from 0.17 to 0.39 eV. The band gaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone. | ||||
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| Language | Wos | 000401320700029 | Publication Date | 2017-04-08 | |
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| ISSN | 1998-0124 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.354 | Times cited | 15 | Open Access | |
| Notes | ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI. ; | Approved |
Most recent IF: 7.354 | ||
| Call Number | UA @ lucian @ c:irua:143739 | Serial | 4598 | ||
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| Author | Li, H.; Zhang, L.; Li, L.; Wu, C.; Huo, Y.; Chen, Y.; Liu, X.; Ke, X.; Luo, J.; Van Tendeloo, G. | ||||
| Title | Two-in-one solution using insect wings to produce graphene-graphite films for efficient electrocatalysis | Type | A1 Journal article | ||
| Year | 2019 | Publication | Nano Research | Abbreviated Journal | Nano Res |
| Volume | 12 | Issue | 1 | Pages | 33-39 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Natural organisms contain rich elements and naturally optimized smart structures, both of which have inspired various innovative concepts and designs in human society. In particular, several natural organisms have been used as element sources to synthesize low-cost and environmentally friendly electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells and metal-air batteries, which are clean energy devices. However, to date, no naturally optimized smart structures have been employed in the synthesis of ORR catalysts, including graphene-based materials. Here, we demonstrate a novel strategy to synthesize graphene-graphite films (GGFs) by heating butterfly wings coated with FeCl3 in N-2, in which the full power of natural organisms is utilized. The wings work not only as an element source for GGF generation but also as a porous supporting structure for effective nitrogen doping, two-dimensional spreading, and double-face exposure of the GGFs. These GGFs exhibit a half-wave potential of 0.942 V and a H2O2 yield of < 0.07% for ORR electrocatalysis; these values are comparable to those for the best commercial Pt/C and all previously reported ORR catalysts in alkaline media. This two-in-one strategy is also successful with cicada and dragonfly wings, indicating that it is a universal, green, and cost-effective method for developing high-performance graphene-based materials. | ||||
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| Language | Wos | 000453629900004 | Publication Date | 2018-08-30 | |
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| ISSN | 1998-0124 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.354 | Times cited | 7 | Open Access | Not_Open_Access |
| Notes | ; The authors would like to thank Drs Qiang Wang and Wenjuan Yuan for useful discussions. This work was financially supported by the National Key R&D Program of China (No. 2017YFA0700104), the National Natural Science Foundation of China (Nos. 21601136 and 11404016), the National Program for Thousand Young Talents of China, Tianjin Municipal Education Commission, Tianjin Municipal Science and Technology Commission (No. 15JCYBJC52600), and the Fundamental Research Fund of Tianjin University of Technology. This work also made use of the resources of the National Center for Electron Microscopy in Beijing. ; | Approved |
Most recent IF: 7.354 | ||
| Call Number | UA @ admin @ c:irua:156210 | Serial | 5265 | ||
| Permanent link to this record | |||||
| Author | Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M. | ||||
| Title | Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number | Type | A1 Journal article | ||
| Year | 2018 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 10 | Issue | 17 | Pages | 8153-8161 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000432261400033 | Publication Date | 2018-03-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 28 | Open Access | |
| Notes | ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; | Approved |
Most recent IF: 7.367 | ||
| Call Number | UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 | Serial | 5040 | ||
| Permanent link to this record | |||||
| Author | Liao, Z.; Gauquelin, N.; Green, R.J.; Müller-Caspary, K.; Lobato, I.; Li, L.; Van Aert, S.; Verbeeck, J.; Huijben, M.; Grisolia, M.N.; Rouco, V.; El Hage, R.; Villegas, J.E.; Mercy, A.; Bibes, M.; Ghosez, P.; Sawatzky, G.A.; Rijnders, G.; Koster, G. | ||||
| Title | Metal–insulator-transition engineering by modulation tilt-control in perovskite nickelates for room temperature optical switching | Type | A1 Journal article | ||
| Year | 2018 | Publication | America | Abbreviated Journal | P Natl Acad Sci Usa |
| Volume | 115 | Issue | 38 | Pages | 9515-9520 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In transition metal perovskites ABO3 the physical properties are largely driven by the rotations of the BO6 octahedra, which can be tuned in thin films through strain and dimensionality control. However, both approaches have fundamental and practical limitations due to discrete and indirect variations in bond angles, bond lengths and film symmetry by using commercially available substrates. Here, we introduce modulation tilt control as a new approach to tune the ground state of perovskite oxide thin films by acting explicitly on the oxygen octahedra rotation modes, i.e. directly on the bond angles. By intercalating the prototype SmNiO3 target material with a tilt-control layer, we cause the system to change the natural amplitude of a given rotation mode without affecting the interactions. In contrast to strain and dimensionality engineering, our method enables a continuous fine-tuning of the materials properties. This is achieved through two independent adjustable parameters: the nature of the tilt-control material (through its symmetry, elastic constants and oxygen rotation angles) and the relative thicknesses of the target and tilt-control materials. As a result, a magnetic and electronic phase diagram can be obtained, normally only accessible by A-site element substitution, within the single SmNiO3 compound. With this unique approach, we successfully adjusted the metal-insulator transition (MIT) to room temperature to fulfill the desired conditions for optical switching applications. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000447224900057 | Publication Date | 2018-09-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0027-8424 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.661 | Times cited | 50 | Open Access | OpenAccess |
| Notes | We would like to acknowledge Prof. Z. Zhong for stimulated discussion. M.H., G.K. and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010-246102 IFOX. J.V., S.V.A, N.G. and K.M.C. acknowledge funding from FWO projects G.0044.13N, G.0374.13N, G. 0368.15N, and G.0369.15N. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. N.G. and J.V. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483- ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which is funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan. MB acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC CoG grant MINT #615759. A.M. and Ph.G. were supported by the ARC project AIMED and F.R.S-FNRS PDR project HiT4FiT and acknowledge access to Céci computing facilities funded by F.R.S-FNRS (Grant No 2.5020.1), Tier-1 supercomputer of the Fédération Wallonie-Bruxelles funded by the Walloon Region (Grant No 1117545) and HPC resources from the PRACE project Megapasta. | Approved |
Most recent IF: 9.661 | ||
| Call Number | EMAT @ emat @c:irua:154784UA @ admin @ c:irua:154784 | Serial | 5059 | ||
| Permanent link to this record | |||||
| Author | Li, L.; Nijs, I.; De Boeck, H.; Vinduskova, O.; Reynaert, S.; Donnelly, C.; Zi, L.; Verbruggen, E. | ||||
| Title | Longer dry and wet spells alter the stochasticity of microbial community assembly in grassland soils | Type | A1 Journal article | ||
| Year | 2023 | Publication | Soil biology and biochemistry | Abbreviated Journal | |
| Volume | 178 | Issue | Pages | 108969-9 | |
| Keywords | A1 Journal article; ADReM Data Lab (ADReM); Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change | ||||
| Abstract | Climate change is increasing the duration of alternating wet and dry spells. These fluctuations affect soil water availability and other soil properties which are crucial drivers of soil microbial communities. While soil microbial communities have a moderate capacity to recover once a drought ceases, the expected alternation of strongly opposing regimes can challenge their capacity to adapt. Here, we set up experimental grassland mesocosms where precipitation frequency was adjusted along a gradient while holding total precipitation constant. The gradient varied the duration of wet and dry spells from 1 to 60 days during a total of 120 days, where we hy-pothesized that especially intermediate durations would increase the importance of stochastic community as-sembly due to frequent alternation of opposing environmental regimes. We examined bacterial and fungal community composition, diversity, co-occurrence patterns and assembly mechanisms across these different precipitation treatments. Our results show that 1) intermediate regimes of wet and dry spells increased the stochasticity of microbial community assembly whereas microbial communities at low and high regimes were subjected to more deterministic assembly, and 2) more persistent precipitation regimes (>6 days duration) reduced the fungal diversity and network connectivity but had little effect on bacterial communities. Collec-tively, these findings indicate that longer alternating wet and dry events lead to a less predictable and connected soil microbial community. This study provides new insight into the likely mechanisms through which precipi-tation persistence alters soil microbial communities and their predictability. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000930582500001 | Publication Date | 2023-01-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0038-0717 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.7 | Times cited | Open Access | ||
| Notes | Approved |
Most recent IF: 9.7; 2023 IF: 4.857 | |||
| Call Number | UA @ admin @ c:irua:195257 | Serial | 9211 | ||
| Permanent link to this record | |||||
| Author | Li, L.; Lin, Q.; Nijs, I.; De Boeck, H.; Beemster, G.T.S.; Asard, H.; Verbruggen, E. | ||||
| Title | More persistent weather causes a pronounced soil microbial legacy but does not impact subsequent plant communities | Type | A1 Journal article | ||
| Year | 2023 | Publication | The science of the total environment | Abbreviated Journal | |
| Volume | 903 | Issue | Pages | 166570-166578 | |
| Keywords | A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change | ||||
| Abstract | A soil history of exposure to extreme weather may impact future plant growth and microbial community assembly. Currently, little is known about whether and how previous precipitation regime (PR)-induced changes in soil microbial communities influence plant and soil microbial community responses to a subsequent PR. We exposed grassland mesocosms to either an ambient PR (1 day wet-dry alternation) or a persistent PR (30 days consecutive wet-dry alternation) for one year. This conditioned soil was then inoculated as a 10 % fraction into 90 % sterilized “native” soil, after which new plant communities were established and subjected to either the ambient or persistent PR for 60 days. We assessed whether past persistent weather-induced changes in soil microbial community composition affect soil microbial and plant community responses to subsequent weather persistence. The historical regimes caused enduring effects on fungal communities and only temporary effects on bacterial communities, but did not trigger soil microbial legacy effects on plant productivity when exposed to either current PR. This study provides experimental evidence for soil legacy of climate persistence on grassland ecosystems in response to subsequent climate persistence, helping to understand and predict the influences of future climate change on soil biota. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001116596100001 | Publication Date | 2023-08-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0048-9697; 1879-1026 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.8 | Times cited | Open Access | ||
| Notes | Approved |
Most recent IF: 9.8; 2023 IF: 4.9 | |||
| Call Number | UA @ admin @ c:irua:200463 | Serial | 9213 | ||
| Permanent link to this record | |||||
| Author | Li, L. | ||||
| Title | First-principles studies of novel two-dimensional dirac materials | Type | Doctoral thesis | ||
| Year | 2019 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 152 p. | ||
| Keywords | Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved |
Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:160527 | Serial | 5214 | ||
| Permanent link to this record | |||||
| Author | Sun, M.-H.; Zhou, J.; Hu, Z.-Y.; Chen, L.-H.; Li, L.-Y.; Wang, Y.-D.; Xie, Z.-K.; Turner, S.; Van Tendeloo, G.; Hasan, T.; Su, B.-L. | ||||
| Title | Hierarchical zeolite single-crystal reactor for excellent catalytic efficiency | Type | A1 Journal article | ||
| Year | 2020 | Publication | Matter | Abbreviated Journal | |
| Volume | 3 | Issue | 4 | Pages | 1226-1245 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | As a size- and shape-selective catalyst, zeolites are widely used in petroleum and fine-chemicals processing. However, their small micropores severely hinder molecular diffusion and are sensitive to coke formation. Hierarchically porous zeolite single crystals with fully interconnected, ordered, and tunable multimodal porosity at macro-, meso-, and microlength scale, like in leaves, offer the ideal solution. However, their synthesis remains highly challenging. Here, we report a versatile confined zeolite crystallization process to achieve these superior properties. Such zeolite single crystals lead to significantly improved mass transport properties by shortening the diffusion length while maintaining shape-selective properties, endowing them with a high efficiency of zeolite crystals, enhanced catalytic activities and lifetime, highly reduced coke formation, and reduced deactivation rate in bulky-molecule reactions and methanol-to-olefins process. Their industrial utilization can lead to the design of innovative and intensified reactors and processes with highly enhanced efficiency and minimum energy consumption. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000581132600021 | Publication Date | 2020-08-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved |
Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:174329 | Serial | 6727 | ||
| Permanent link to this record | |||||
| Author | Li, L. | ||||
| Title | Untangling microbial community assembly in rainforest and grassland soils under increasing precipitation persistence | Type | Doctoral thesis | ||
| Year | 2023 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 179 p. | ||
| Keywords | Doctoral thesis; Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change | ||||
| Abstract | Climate change is causing alterations in precipitation patterns, leading to adverse ecological consequences in many ecosystems. Recently, an increasingly persistent weather pattern has emerged, characterized by lengthening the duration of alternating dry and wet periods, which is more complex than exclusively drought or increasing precipitation. It is currently unclear how soil microbial communities respond to these new regimes in relation to their interactions with plants, especially in precipitation-sensitive ecosystems, such as tropical rainforests and grasslands. In this thesis, we explored responses of soil bacterial and fungal communities to increasing weather persistence in rainforests and grasslands, using high throughput sequencing technology. We firstly investigated the resistance and resilience of microbial communities to prolonged drought in a mature seasonal tropical rainforest which experiences unusually intensive dry seasons in the current century. Through excluding rainfall during and after the dry season, a simulated prolongation of the dry season by five months was compared to the control. Our results indicate that as rain exclusion progressed, the microbial communities increasingly diverged from the control, indicating a moderate resistance to prolonged drought. However, when the drought ceased, the composition and co-occurrence patterns of soil microbial communities immediately recovered to that in the control, implying a high resilience. To further investigate the ecological roles of soil microbial communities in response to increasing weather persistence, we set up grassland mesocosm experiments. In these experiments, precipitation frequency was adjusted along a series, ranging from 1 to 60 consecutive days alternating of dry and wet periods, while keeping the total precipitation constant. Our results show that microbial community assembly tended to be more stochastic processes at intermediate persistence of dry and wet alternations while more deterministic processes dominated at low and high persistence within 120 days regime exposure. Moreover, more persistent precipitation reduced the fungal diversity and network connectivity but barely impacted that of bacterial communities. The prior experiences of persistent weather events for one year caused legacy effects. The soil microbial legacy induced by soil microbial communities subjected to prior persistent weather events was more enduring in subsequent fungal communities than bacterial communities, likely due to slower growth of fungi compared to bacteria. However, a minor effect of soil microbial legacy was observed on plant performance. In addition, we kept the grassland mesocosm experiment for two growing seasons. The effects of precipitation persistence on soil microbial communities increased in the second year. The dissimilarities of microbial communities between the first and second year were less with more persistent precipitation, potentially resulting in more vulnerable microbial communities, due to some taxa disappearing and a reduction in functional redundancy under more persistent weather. To conclude, our findings provide a comprehensive theoretical understanding of soil microbial communities in response to the current and future climate change, drawing from both natural and experimental systems. It helps in predicting and managing the impacts of future climate change on ecosystems mediated by microbial communities. Additionally, the findings of microbe-mediated legacy effects on grassland ecosystems can provide practical guidance for their application in agriculture, specifically for using an inoculum to mitigate the impacts of climate change. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved |
Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:198498 | Serial | 9240 | ||
| Permanent link to this record | |||||