Home | << 1 >> |
![]() |
Records | |||||
---|---|---|---|---|---|
Author | Ao, Z.; Jiang, Q.; Li, S.; Liu, H.; Peeters, F.M.; Li, S.; Wang, G. | ||||
Title | Enhancement of the stability of fluorine atoms on defective graphene and at graphene/fluorographene interface | Type | A1 Journal article | ||
Year | 2015 | Publication | ACS applied materials and interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 7 | Issue | 7 | Pages | 19659-19665 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Fluorinated graphene is one of the most important derivatives of graphene and has been found to have great potential in optoelectronic and photonic nanodevices. However, the stability of F atoms on fluorinated graphene under different conditions, which is essential to maintain the desired properties of fluorinated graphene, is still unclear. In this work, we investigate the diffusion of F atoms on pristine graphene, graphene with defects, and at graphene/fluorographene interfaces by using density functional theory calculations. We find that an isolated F atom diffuses easily on graphene, but those F atoms can be localized by inducing vacancies or absorbates in graphene and by creating graphene/fluorographene interfaces, which would strengthen the binding energy of F atoms on graphene and increase the diffusion energy barrier of F atoms remarkably. | ||||
Address | |||||
Corporate Author | Thesis ![]() |
||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000361252400018 | Publication Date | 2015-08-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.504 | Times cited | 35 | Open Access | |
Notes | ; We acknowledge the financial supports from the Chancellor's Research Fellowship Program of the University of Technology Sydney, the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish Government. This research was also supported by the National Computational Infrastructure (NCI) through the merit allocation scheme and used the NCI resources and facilities in Canberra, Australia. ; | Approved | Most recent IF: 7.504; 2015 IF: 6.723 | ||
Call Number | UA @ lucian @ c:irua:128703 | Serial | 4177 | ||
Permanent link to this record | |||||
Author | Wang, J.; Andelkovic, M.; Wang, G.; Peeters, F.M. | ||||
Title | Molecular collapse in graphene: Sublattice symmetry effect | Type | A1 Journal article | ||
Year | 2020 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 102 | Issue | 6 | Pages | 064108-8 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Atomic collapse can be observed in graphene because of its large “effective” fine structure constant, which enables this phenomenon to occur for an impurity charge as low as Z(c) similar to 1-2. Here we investigate the effect of the sublattice symmetry on molecular collapse in two spatially separated charge tunable vacancies, which are located on the same (A-A type) or different (A-B type) sublattices. We find that the broken sublattice symmetry: (1) does not affect the location of the main bonding and antibonding molecular collapse peaks, (2) but shifts the position of the satellite peaks, because they are a consequence of the breaking of the local sublattice symmetry, and (3) there are vacancy characteristic collapse peaks that only occur for A-B type vacancies, which can be employed to distinguish them experimentally from the A-A type. As the charge, energy, and separation distance increase, the additional collapse features merge with the main molecular collapse peaks. We show that the spatial distribution around the vacancy site of the collapse states allows us to differentiate the molecular from the frustrated collapse. | ||||
Address | |||||
Corporate Author | Thesis ![]() |
||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000562320700002 | Publication Date | 2020-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.7 | Times cited | 3 | Open Access | |
Notes | ; This work was supported by the National Natural Science Foundation of China (Grants No. 61874038 and No. 61704040), National Key R&D Program Grant 2018YFE0120000, the scholarship from China Scholarship Council (CSC: 201908330548), and TRANS2DTMD FlagEra project. ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:172065 | Serial | 6562 | ||
Permanent link to this record | |||||
Author | Feng, X.; Jena, H.S.; Krishnaraj, C.; Arenas-Esteban, D.; Leus, K.; Wang, G.; Sun, J.; Rüscher, M.; Timoshenko, J.; Roldan Cuenya, B.; Bals, S.; Voort, P.V.D. | ||||
Title | Creation of Exclusive Artificial Cluster Defects by Selective Metal Removal in the (Zn, Zr) Mixed-Metal UiO-66 | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of The American Chemical Society | Abbreviated Journal | J Am Chem Soc |
Volume | Issue | Pages | jacs.1c05357 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The differentiation between missing linker defects and missing cluster defects in MOFs is difficult, thereby limiting the ability to correlate materials properties to a specific type of defects. Herein, we present a novel and easy synthesis strategy for the creation of solely “missing cluster defects” by preparing mixed-metal (Zn, Zr)-UiO-66 followed by a gentle acid wash to remove the Zn nodes. The resulting material has the reo UiO-66 structure, typical for well-defined missing cluster defects. The missing clusters are thoroughly characterized, including low-pressure Ar-sorption, iDPCSTEM at a low dose (1.5 pA), and XANES/EXAFS analysis. We show that the missing cluster UiO-66 has a negligible number of missing linkers. We show the performance of the missing cluster UiO-66 in CO2 sorption and heterogeneous catalysis. |
||||
Address | |||||
Corporate Author | Thesis ![]() |
||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000730569500001 | Publication Date | 2021-12-07 | |
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 | 29 | Open Access | OpenAccess |
Notes | Agentschap Innoveren en Ondernemen, HBC.2019.0110 HBC.2021.0254 ; Universiteit Gent; Fonds Wetenschappelijk Onderzoek, 665501 ; Dalian University of Technology; China Scholarship Council, 201507565009 ; National Natural Science Foundation of China, 22101039 ; H2020 European Research Council, 815128 REALNANO ; sygmaSB | Approved | Most recent IF: 13.858 | ||
Call Number | EMAT @ emat @c:irua:183951 | Serial | 6833 | ||
Permanent link to this record | |||||
Author | Wang, X.; Yao, X.; Schryvers, D.; Verlinden, B.; Wang, G.; Zhao, G.; Van Humbeeck, J.; Kustov, S. | ||||
Title | Anomalous stress-strain behavior of NiTi shape memory alloy close to the border of superelastic window | Type | A1 Journal article | ||
Year | 2021 | Publication | Scripta Materialia | Abbreviated Journal | Scripta Mater |
Volume | 204 | Issue | Pages | 114135 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | In this work, we report an anomalous phenomenon on superelastic cycling of NiTi shape memory alloys when deforming at the temperature close to the border of superelastic window. New unexpected effects are found-(i) critical stress for inducing martensite transformation during the second loading cycle is higher than that of the first cycle; ( ii ) the plateau stress of the second cycle decreases to the original level when the strain overcomes the limit of the first cycle; ( iii ) transition from good superelasticity in the first cycle to fully irreversible strain in the second. We propose that defects generated during the first superelastic cycle close to the border of superelastic window impede following stress-induced martensitic transformations, leading to the increase of critical stress beyond yield stress of the B2 matrix, and thus functional fatigue of NiTi alloys. (c) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis ![]() |
||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000690441400007 | Publication Date | 2021-07-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1359-6462 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.747 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.747 | |||
Call Number | UA @ admin @ c:irua:181658 | Serial | 6853 | ||
Permanent link to this record | |||||
Author | Zhou, Z.; Tan, Y.; Yang, Q.; Bera, A.; Xiong, Z.; Yagmurcukardes, M.; Kim, M.; Zou, Y.; Wang, G.; Mishchenko, A.; Timokhin, I.; Wang, C.; Wang, H.; Yang, C.; Lu, Y.; Boya, R.; Liao, H.; Haigh, S.; Liu, H.; Peeters, F.M.; Li, Y.; Geim, A.K.; Hu, S. | ||||
Title | Gas permeation through graphdiyne-based nanoporous membranes | Type | A1 Journal article | ||
Year | 2022 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
Volume | 13 | Issue | 1 | Pages | 4031-4036 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Nanoporous membranes based on two dimensional materials are predicted to provide highly selective gas transport in combination with extreme permeance. Here we investigate membranes made from multilayer graphdiyne, a graphene-like crystal with a larger unit cell. Despite being nearly a hundred of nanometers thick, the membranes allow fast, Knudsen-type permeation of light gases such as helium and hydrogen whereas heavy noble gases like xenon exhibit strongly suppressed flows. Using isotope and cryogenic temperature measurements, the seemingly conflicting characteristics are explained by a high density of straight-through holes (direct porosity of similar to 0.1%), in which heavy atoms are adsorbed on the walls, partially blocking Knudsen flows. Our work offers important insights into intricate transport mechanisms playing a role at nanoscale. | ||||
Address | |||||
Corporate Author | Thesis ![]() |
||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000918423100001 | Publication Date | 2022-07-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 16.6 | Times cited | 21 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 16.6 | |||
Call Number | UA @ admin @ c:irua:194402 | Serial | 7308 | ||
Permanent link to this record | |||||
Author | Wang, G.; Xie, C.; Wang, H.; Li, Q.; Xia, F.; Zeng, W.; Peng, H.; Van Tendeloo, G.; Tan, G.; Tian, J.; Wu, J. | ||||
Title | Mitigated oxygen loss in lithium-rich manganese-based cathode enabled by strong Zr-O affinity | Type | A1 Journal article | ||
Year | 2024 | Publication | Advanced functional materials | Abbreviated Journal | |
Volume | Issue | Pages | 2313672 | ||
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Oxygen loss is a serious problem of lithium-rich layered oxide (LLO) cathodes, as the high capacity of LLO relies on reversible oxygen redox. Oxygen release can occur at the surface leading to the formation of spinel or rock salt structures. Also, the lattice oxygen will usually become unstable after long cycling, which remains a major roadblock in the application of LLO. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in LLO due to the high affinity between Zr and O. A simple sol-gel method is used to dope Zr4+ into the LLOs to adjust the local electronic structure and inhibit the diffusion of oxygen anions to the surface during cycling. Compared with untreated LLOs, LLO-Zr cathodes exhibit a higher cycling stability, with 94% capacity retention after 100 cycles at 0.4 C, up to 223 mAh g-1 at 1 C, and 88% capacity retention after 300 cycles. Theoretical calculations show that due to the strong Zr-O covalent bonding, the formation energy of oxygen vacancies has effectively increased and the loss of lattice oxygen under high voltage can be suppressed. This study provides a simple method for developing high-capacity and cyclability Li-rich cathode materials for lithium-ion batteries. Oxygen release can occur at the cathode surface leading to the formation of spinel or rock salt structures. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in lithium-rich layered oxides (LLO) due to the high affinity between Zr and O. LLO-Zr exhibit higher cycling stability, with 88% capacity retention after 300 cycles at 1 C. image | ||||
Address | |||||
Corporate Author | Thesis ![]() |
||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001159843800001 | Publication Date | 2024-02-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-301x | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 19 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 19; 2024 IF: 12.124 | |||
Call Number | UA @ admin @ c:irua:203812 | Serial | 9161 | ||
Permanent link to this record |