“Stabilizing perovskite Pb(Mg0.33Nb0.67)O3-PbTiO3 thin films by fast deposition and tensile mismatched growth template”. Ni S, Houwman E, Gauquelin N, Chezganov D, Van Aert S, Verbeeck J, Rijnders G, Koster G, ACS applied materials and interfaces 16, 12744 (2024). http://doi.org/10.1021/ACSAMI.3C16241
Abstract: Because of its low hysteresis, high dielectric constant, and strong piezoelectric response, Pb(Mg1/3Nb2/3)O-3-PbTiO3 (PMN-PT) thin films have attracted considerable attention for the application in PiezoMEMS, field-effect transistors, and energy harvesting and storage devices. However, it remains a great challenge to fabricate phase-pure, pyrochlore-free PMN-PT thin films. In this study, we demonstrate that a high deposition rate, combined with a tensile mismatched template layer can stabilize the perovskite phase of PMN-PT films and prevent the nucleation of passive pyrochlore phases. We observed that an accelerated deposition rate promoted mixing of the B-site cation and facilitated relaxation of the compressively strained PMN-PT on the SrTiO3 (STO) substrate in the initial growth layer, which apparently suppressed the initial formation of pyrochlore phases. By employing La-doped-BaSnO3 (LBSO) as the tensile mismatched buffer layer, 750 nm thick phase-pure perovskite PMN-PT films were synthesized. The resulting PMN-PT films exhibited excellent crystalline quality close to that of the STO substrate.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
DOI: 10.1021/ACSAMI.3C16241
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“Tailoring weak and metallic phases in a strong topological insulator by strain and disorder : conductance fluctuations signatures”. Shafiei M, Fazileh F, Peeters FM, Milošević, MV, Physical review B 109, 045129 (2024). http://doi.org/10.1103/PHYSREVB.109.045129
Abstract: Transport measurements are readily used to probe different phases in disordered topological insulators (TIs), where determining topological invariants explicitly is challenging. On that note, universal conductance fluctuations (UCF) theory asserts the conductance G for an ensemble has a Gaussian distribution, and that standard deviation 8G depends solely on the symmetries and dimensions of the system. Using a real-space tight -binding Hamiltonian on a system with Anderson disorder, we explore conductance fluctuations in a thin Bi2Se3 film and demonstrate the agreement of their behavior with UCF hypotheses. We further show that magnetic field applied out-of-plane breaks the time -reversal symmetry and transforms the system's Wigner-Dyson class from root symplectic to unitary, increasing 8G by 2. Finally, we reveal that while Bi2Se3 is a strong TI, weak TI and metallic phases can be stabilized in presence of strain and disorder, and detected by monitoring the conductance fluctuations.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1103/PHYSREVB.109.045129
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“Electrical stability and performance of a nitrogen-oxygen atmospheric pressure gliding arc plasma”. Manaigo F, Bahnamiri OS, Chatterjee A, Panepinto A, Krumpmann A, Michiels M, Bogaerts A, Snyders R, ACS Sustainable Chemistry and Engineering 12, 5211 (2024). http://doi.org/10.1021/ACSSUSCHEMENG.3C08257
Abstract: Nonthermal plasmas are currently being studied as a green alternative to the Haber-Bosch process, which is, today, the dominant industrial process allowing for the fixation of nitrogen and, as such, a fundamental component for the production of nitrogen-based industrial fertilizers. In this context, the gliding arc plasma (GAP) is considered a promising choice among nonthermal plasma options. However, its stability is still a key parameter to ensure industrial transfer of the technology. Nowadays, the conventional approach to stabilize this plasma process is to use external resistors. Although this indeed allows for an enhancement of the plasma stability, very little is reported about how it impacts the process efficiency, both in terms of NOx yield and energy cost. In this work, this question is specifically addressed by studying a DC-powered GAP utilized for nitrogen fixation into NOx at atmospheric pressure stabilized by variable external resistors. Both the performance and the stability of the plasma are reported as a function of the utilization of the resistors. The results confirm that while the use of a resistor indeed allows for a strong stabilization of the plasma without impacting the NOx yield, especially at high plasma current, it dramatically impacts the energy cost of the process, which increases from 2.82 to 7.9 MJ/mol. As an alternative approach, we demonstrate that the replacement of the resistor by an inductor is promising since it allows for decent stabilization of the plasma, while it does not affect either the energy cost of the process or the NOx yield.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1021/ACSSUSCHEMENG.3C08257
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“Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H3O+ and OH- ions”. Gogoi A, Neyts EC, Peeters FM, Physical chemistry, chemical physics 26, 10265 (2024). http://doi.org/10.1039/D3CP04097F
Abstract: Graphene oxide (GO) is one of the most promising candidates for next generation of atomically thin membranes. Nevertheless, one of the major issues for real world application of GO membranes is their undesirable swelling in an aqueous environment. Recently, we demonstrated that generation of H3O+ and OH- ions (e.g., with an external electric field) in the interlayer gallery could impart aqueous stability to the layered GO membranes (A. Gogoi, ACS Appl. Mater. Interfaces, 2022, 14, 34946). This, however, compromises the water flux through the membrane. In this study, we report on reducing the GO nanosheets as a solution to this issue. With the reduction of the GO nanosheets, the water flux through the layered GO membrane initially increases and then decreases again beyond a certain degree of reduction. Here, two key factors are at play. Firstly, the instability of the H-bond network between water molecules and the GO nanosheets, which increases the water flux. Secondly, the pore size reduction in the interlayer gallery of the membranes, which decreases the water flux. We also observe a significant improvement in the salt rejection of the membranes, due to the dissociation of water molecules in the interlayer gallery. In particular, for the case of 10% water dissociation, the water flux through the membranes can be enhanced without altering its selectivity. This is an encouraging observation as it breaks the traditional tradeoff between water flux and salt rejection of a membrane.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Modelling and Simulation in Chemistry (MOSAIC)
DOI: 10.1039/D3CP04097F
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“Designer phospholipid capping ligands for soft metal halide nanocrystals”. Morad V, Stelmakh A, Svyrydenko M, Feld LG, Boehme SC, Aebli M, Affolter J, Kaul CJ, Schrenker NJ, Bals S, Sahin Y, Dirin DN, Cherniukh I, Raino G, Baumketner A, Kovalenko MV, Nature 626, 542 (2024). http://doi.org/10.1038/S41586-023-06932-6
Abstract: The success of colloidal semiconductor nanocrystals (NCs) in science and optoelectronics is inextricable from their surfaces. The functionalization of lead halide perovskite NCs1-5 poses a formidable challenge because of their structural lability, unlike the well-established covalent ligand capping of conventional semiconductor NCs6,7. We posited that the vast and facile molecular engineering of phospholipids as zwitterionic surfactants can deliver highly customized surface chemistries for metal halide NCs. Molecular dynamics simulations implied that ligand-NC surface affinity is primarily governed by the structure of the zwitterionic head group, particularly by the geometric fitness of the anionic and cationic moieties into the surface lattice sites, as corroborated by the nuclear magnetic resonance and Fourier-transform infrared spectroscopy data. Lattice-matched primary-ammonium phospholipids enhance the structural and colloidal integrity of hybrid organic-inorganic lead halide perovskites (FAPbBr3 and MAPbBr3 (FA, formamidinium; MA, methylammonium)) and lead-free metal halide NCs. The molecular structure of the organic ligand tail governs the long-term colloidal stability and compatibility with solvents of diverse polarity, from hydrocarbons to acetone and alcohols. These NCs exhibit photoluminescence quantum yield of more than 96% in solution and solids and minimal photoluminescence intermittency at the single particle level with an average ON fraction as high as 94%, as well as bright and high-purity (about 95%) single-photon emission. Phospholipids enhance the structural and colloidal integrity of hybrid organic-inorganic lead halide perovskites and lead-free metal halide nanocrystals, which then exhibit enhanced robustness and optical properties.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
DOI: 10.1038/S41586-023-06932-6
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“Photoluminescence of germanium-vacancy centers in nanocrystalline diamond films : implications for quantum sensing applications”. Joy RM, Pobedinskas P, Bourgeois E, Chakraborty T, Goerlitz J, Herrmann D, Noel C, Heupel J, Jannis D, Gauquelin N, D'Haen J, Verbeeck J, Popov C, Houssiau L, Becher C, Nesladek M, Haenen K, ACS applied nano materials 7, 3873 (2024). http://doi.org/10.1021/ACSANM.3C05491
Abstract: Point defects in diamond, promising candidates for nanoscale pressure- and temperature-sensing applications, are potentially scalable in polycrystalline diamond fabricated using the microwave plasma-enhanced chemical vapor deposition (MW PE CVD) technique. However, this approach introduces residual stress in the diamond films, leading to variations in the characteristic zero phonon line (ZPL) of the point defect in diamond. Here, we report the effect of residual stress on germanium-vacancy (GeV) centers in MW PE CVD nanocrystalline diamond (NCD) films fabricated using single crystal Ge as the substrate and solid dopant source. GeV ensemble formation indicated by the zero phonon line (ZPL) at similar to 602 nm is confirmed by room temperature (RT) photoluminescence (PL) measurements. PL mapping results show spatial nonuniformity in GeV formation along with other defects, including silicon-vacancy centers in the diamond films. The residual stress in NCD results in shifts in the PL peak positions. By estimating a stress shift coefficient of (2.9 +/- 0.9) nm/GPa, the GeV PL peak position in the NCD film is determined to be between 598.7 and 603.2 nm. A larger ground state splitting due to the strain on a GeV-incorporated NCD pillar at a low temperature (10 K) is also reported. We also report the observation of intense ZPLs at RT that in some cases could be related to low Ge concentration and the surrounding crystalline environment. In addition, we also observe thicker microcrystalline diamond (MCD) films delaminate from the Ge substrate due to film residual stress and graphitic phase at the diamond/Ge substrate interface (confirmed by electron energy loss spectroscopy). Using this approach, a free-standing color center incorporated MCD film with dimensions up to 1 x 1 cm(2) is fabricated. Qualitative analysis using time-of-flight secondary ion mass spectroscopy reveals the presence of impurities, including Ge and silicon, in the MCD film. Our experimental results will provide insights into the scalability of GeV fabrication using the MW PE CVD technique and effectively implement NCD-based nanoscale-sensing applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
DOI: 10.1021/ACSANM.3C05491
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“Observation of temperature induced phase transitions in TiO superconducting thin film via infrared measurement”. Zhou S, Zhang C, Xu W, Zhang J, Xiao Y, Ding L, Wen H, Cheng X, Hu C, Li H, Li X, Peeters FM, Infrared physics and technology 137, 105160 (2024). http://doi.org/10.1016/J.INFRARED.2024.105160
Abstract: In contrast to conventional polycrystalline titanium oxide (TiO), it was found recently that the superconducting transition temperature Tc can be significantly enhanced from about 2 K to 7.4 K in cubic TiO thin films grown epitaxially on alpha-Al2O3 substrates. This kind of TiO film is also expected to have distinctive optoelectronic properties, which are still not very clear up to now. Herein, by using infrared (IR) reflection measurement we investigate the temperature-dependent optoelectronic response of a cubic TiO thin film, in which temperature induced phase transitions are observed. The semiconductor-, metallic- and semiconductor-like electronic phases of this superconducting film are found in the temperature regimes from 10 to 110 K, 110 to 220 K and above 220 K, respectively. The results obtained optically are consistent with those measured by transport experiment. Furthermore, based on an improved reflection model developed here, we extract the complex optical conductivity of the cubic TiO thin film. We are able to approximately determine the characteristic parameters (e.g., effective electron mass, carrier density, scattering time, etc.) for different electronic phases by fitting the optical conductivity with the modified Lorentz formula. These results not only deepen our understanding of the fundamental physics for cubic TiO thin films but also may find applications in optoelectronic devices based on superconductors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1016/J.INFRARED.2024.105160
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“Single-layered imine-linked porphyrin-based two-dimensional covalent organic frameworks targeting CO₂, reduction”. Arisnabarreta N, Hao Y, Jin E, Salame A, Muellen K, Robert M, Lazzaroni R, Van Aert S, Mali KS, De Feyter S, Advanced energy materials (2024). http://doi.org/10.1002/AENM.202304371
Abstract: The reduction of carbon dioxide (CO2) using porphyrin-containing 2D covalent organic frameworks (2D-COFs) catalysts is widely explored nowadays. While these framework materials are normally fabricated as powders followed by their uncontrolled surface heterogenization or directly grown as thin films (thickness >200 nm), very little is known about the performance of substrate-supported single-layered (approximate to 0.5 nm thickness) 2D-COFs films (s2D-COFs) due to its highly challenging synthesis and characterization protocols. In this work, a fast and straightforward fabrication method of porphyrin-containing s2D-COFs is demonstrated, which allows their extensive high-resolution visualization via scanning tunneling microscopy (STM) in liquid conditions with the support of STM simulations. The as-prepared single-layered film is then employed as a cathode for the electrochemical reduction of CO2. Fe porphyrin-containing s2D-COF@graphite used as a single-layered heterogeneous catalyst provided moderate-to-high carbon monoxide selectivity (82%) and partial CO current density (5.1 mA cm(-2)). This work establishes the value of using single-layered films as heterogene ous catalysts and demonstrates the possibility of achieving high performance in CO2 reduction even with extremely low catalyst loadings.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
DOI: 10.1002/AENM.202304371
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“On-chip very low strain rate rheology of amorphous olivine films”. Coulombier M, Baral P, Orekhov A, Dohmen R, Raskin JP, Pardoen T, Cordier P, Idrissi H, Acta materialia 266, 119693 (2024). http://doi.org/10.1016/J.ACTAMAT.2024.119693
Abstract: Recent observations made by the authors revealed the activation of stress induced amorphization and sliding at grain boundary in olivine [1], a mechanism which is expected to play a pivotal role in the viscosity drop at the lithosphere-asthenosphere boundary and the brittle -ductile transition in the lithospheric mantle. However, there is a lack of information in the literature regarding the intrinsic mechanical properties and the elementary deformation mechanisms of this material, especially at time scales relevant for geodynamics. In the present work, amorphous olivine films were obtained by pulsed laser deposition (PLD). The mechanical response including the rate dependent behavior are investigated using a tension -on -chip (TOC) method developed at UCLouvain allowing to perform creep/relaxation tests on thin films at extremely low strain rates. In the present work, strain rate down to 10-12 s- 1 was reached which is unique. High strain rate sensitivity of 0.054 is observed together with the activation of relaxation at the very early stage of deformation. Furthermore, digital image correlation (DIC), used for the first time on films deformed by TOC, reveals local strain heterogeneities. The relationship between such heterogeneities, the high strain rate sensitivity and the effect of the electron beam in the scanning electron microscope is discussed and compared to the literature.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
DOI: 10.1016/J.ACTAMAT.2024.119693
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“Unraveling microbial processes involved in carbon and nitrogen cycling and greenhouse gas emissions in rewetted peatlands by molecular biology”. Gios E, Verbruggen E, Audet J, Burns R, Butterbach-Bahl K, Espenberg M, Fritz C, Glatzel S, Jurasinski G, Larmola T, Mander U, Nielsen C, Rodriguez AF, Scheer C, Zak D, Silvennoinen HM, Biogeochemistry (2024). http://doi.org/10.1007/S10533-024-01122-6
Abstract: Restoration of drained peatlands through rewetting has recently emerged as a prevailing strategy to mitigate excessive greenhouse gas emissions and re-establish the vital carbon sequestration capacity of peatlands. Rewetting can help to restore vegetation communities and biodiversity, while still allowing for extensive agricultural management such as paludiculture. Belowground processes governing carbon fluxes and greenhouse gas dynamics are mediated by a complex network of microbial communities and processes. Our understanding of this complexity and its multi-factorial controls in rewetted peatlands is limited. Here, we summarize the research regarding the role of soil microbial communities and functions in driving carbon and nutrient cycling in rewetted peatlands including the use of molecular biology techniques in understanding biogeochemical processes linked to greenhouse gas fluxes. We emphasize that rapidly advancing molecular biology approaches, such as high-throughput sequencing, are powerful tools helping to elucidate the dynamics of key biogeochemical processes when combined with isotope tracing and greenhouse gas measuring techniques. Insights gained from the gathered studies can help inform efficient monitoring practices for rewetted peatlands and the development of climate-smart restoration and management strategies.
Keywords: A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change
DOI: 10.1007/S10533-024-01122-6
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Vlasov E (2024) Exploiting secondary electrons in transmission electron microscopy for 3D characterization of nanoparticle morphologies. x, 118 p
Abstract: Electron tomography (ET) is an indispensable tool for determining the three-dimensional (3D) structure of nanomaterials in (scanning) transmission electron microscopy ((S)TEM). ET enables 3D characterization of a variety of nanomaterials across different fields, including life sciences, chemistry, solid-state physics, and materials science down to atomic resolution. However, the acquisition of a conventional tilt series for ET is a time-consuming process and thus cannot capture fast transformations of materials in realistic conditions. Moreover, only a limited number of nanoparticles (NPs) can be investigated, hampering a general understanding of the average properties of the material. Therefore, alternative characterization techniques that allow for high-resolution characterization of the surface structure without the need to acquire a full tilt series in ET are required which would enable a more time-efficient investigation with better statistical value. In the first part of this work, an alternative technique for the characterization of the morphology of NPs to improve the throughput and temporal resolution of ET is presented. The proposed technique exploits surface-sensitive secondary electron (SE) imaging in STEM employed using a modification of electron beam-induced current (EBIC) setup. The time- and dose efficiency of SEEBIC are tested in comparison with ET and superior spatial resolution is shown compared to conventional scanning electron microscopy. Finally, contrast artefacts arising in SEEBIC images are described, and their origin is discussed. The second part of my thesis focuses on real applications of the proposed technique and introduces a high-throughput methodology that combines images acquired by SEEBIC with quantitative image analysis to retrieve information about the helicity of gold nanorods. It shows that SEEBIC imaging overcomes the limitation of ET providing a general understanding of the connection between structure and chiroptical properties.
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
DOI: 10.63028/10067/2049050151162165141
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Ramirez-Rojas I (2024) Underground connections : the interplay between tropical rainforest trees and soil microbial communities. 205 p
Abstract: Tropical rainforests host an exceptional biodiversity and play a fundamental role in the regulation of global climatic cycles. Soil fungi and bacteria are key players in the transformation and processing of nutrients in terrestrial ecosystems while having an essential role as tree mutualists or antagonists. Still, there are gaps in our understanding of the main variables driving soil microbes on these forests and it is unclear how future climate change scenarios may impact soil microbes and further affect the ecosystem. In this thesis, we first explored the drivers of the microbial community composition in two pristine forests in French Guiana by using amplicon DNA sequencing. The neighboring tree species were found to be a crucial factor influencing the fungal and bacterial community composition at our sites regardless of the season. Additionally, within the environmental factors explored, soil moisture, phosphorus (P) and nitrogen (N) availability were consistently the main soil properties controlling the composition of soil microbial communities. Secondly, as increased nutrient deposition due to anthropogenic activities are expected to affect tropical forests ecosystems N and P availability, a factorial N and P nutrient addition experiment in the same sites was used to assess the effects of changes in the soil nutrient stoichiometry on the soil microbial communities. These results showed that after 3 years of nutrient additions, the bacterial and fungal community composition was affected by both the N and P additions. Besides, the fungal community composition had a stronger response to the nutrient addition, especially when P was added. Moreover, when the nutrient addition effect was assessed in bacteria and fungi with different life strategies, we found different nutrient optima between them. Furthermore, to study the effect of the connection to an existing mycorrhizal mycelium on tree seedlings, I established a mycelium exclusion experiment. Interestingly, we could not detect an effect of the mycorrhizal mycelium exclusion on the seedling N uptake, performance, or fungal community composition in roots after one year. All together this work provides a deeper understanding of the factors influencing the soil microbial communities on these lowland tropical forests, demonstrating that the tree community composition exerts a higher influence on the soil microbial community composition than previously expected. Moreover, our results show that the fungal and bacterial community composition and its relationship with trees in the vicinity is highly dependent on the ecosystem nutrient availability.
Keywords: Doctoral thesis; Plant and Ecosystems (PLECO) – Ecology in a time of change
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“Auranofin repurposing for lung and pancreatic cancer : low CA12 expression as a marker of sensitivity in patient-derived organoids, with potentiated efficacy by AKT inhibition”. Deben C, Freire Boullosa L, Rodrigues Fortes F, Cardenas De La Hoz E, Le Compte M, Seghers S, Peeters M, Vanlanduit S, Lin A, Dijkstra KK, Van Schil P, Hendriks JMH, Prenen H, Roeyen G, Lardon F, Smits E, Journal of Experimental and Clinical Cancer Research 43, 88 (2024). http://doi.org/10.1186/S13046-024-03012-Z
Abstract: Background This study explores the repurposing of Auranofin (AF), an anti-rheumatic drug, for treating non-small cell lung cancer (NSCLC) adenocarcinoma and pancreatic ductal adenocarcinoma (PDAC). Drug repurposing in oncology offers a cost-effective and time-efficient approach to developing new cancer therapies. Our research focuses on evaluating AF's selective cytotoxicity against cancer cells, identifying RNAseq-based biomarkers to predict AF response, and finding the most effective co-therapeutic agents for combination with AF. Methods Our investigation employed a comprehensive drug screening of AF in combination with eleven anticancer agents in cancerous PDAC and NSCLC patient-derived organoids (n = 7), and non-cancerous pulmonary organoids (n = 2). Additionally, we conducted RNA sequencing to identify potential biomarkers for AF sensitivity and experimented with various drug combinations to optimize AF's therapeutic efficacy. Results The results revealed that AF demonstrates a preferential cytotoxic effect on NSCLC and PDAC cancer cells at clinically relevant concentrations below 1 µM, sparing normal epithelial cells. We identified Carbonic Anhydrase 12 (CA12) as a significant RNAseq-based biomarker, closely associated with the NF-κB survival signaling pathway, which is crucial in cancer cell response to oxidative stress. Our findings suggest that cancer cells with low CA12 expression are more susceptible to AF treatment. Furthermore, the combination of AF with the AKT inhibitor MK2206 was found to be particularly effective, exhibiting potent and selective cytotoxic synergy, especially in tumor organoid models classified as intermediate responders to AF, without adverse effects on healthy organoids. Conclusion Our research offers valuable insights into the use of AF for treating NSCLC and PDAC. It highlights AF's cancer cell selectivity, establishes CA12 as a predictive biomarker for AF sensitivity, and underscores the enhanced efficacy of AF when combined with MK2206 and other therapeutics. These findings pave the way for further exploration of AF in cancer treatment, particularly in identifying patient populations most likely to benefit from its use and in optimizing combination therapies for improved patient outcomes.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE)
DOI: 10.1186/S13046-024-03012-Z
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Finizola e Silva M, Cools J, Cools J, Van Passel S (2024) A systematic review identifying the drivers and barriers to the adoption of climate-smart agriculture by smallholder farmers in Africa. 1356335–14
Abstract: Climate change impact, food security concerns, and greenhouse gas emissions are pressuring agricultural production systems in developing countries. There is a need for a shift toward sustainable food systems. One of the concepts introduced to drive this shift is climate-smart agriculture (CSA), endorsed by international organizations to address multifaceted challenges. Despite widespread attention and support, the adoption of CSA among African farmers remains low. This systematic literature review aims to shed light on the factors influencing CSA adoption amongst African farmers. Within the articles identified as relevant, over 50 CSA practices and more than 40 factors influencing CSA adoption were distinguished. These influencing factors can be categorized as personal, farm- related, financial, environmental, and informational. The focus of this review is to identify and explain the overall impact (positive, negative, or mixed) of these factors on CSA adoption. Overall, many factors result in mixed effects, only some factors have an unambiguous positive or negative effect on CSA adoption. For instance, educational level emerges as a key personal factor, positively impacting CSA adoption, along with positive influences from farmers’ experience and farm size among farm-related factors. Financial factors reveal distinct patterns, with income from farming and access to credit positively influencing adoption, while off-farm income exhibits a negative effect. Environmental factors, though less researched, indicate positive impacts related to changes in rainfall patterns, temperature, and droughts. Lastly, informational factors consistently exhibit a positive effect on CSA adoption, with training, access to extension, group memberships, climate information, and CSA awareness playing crucial roles. These findings provide valuable insights for policymakers seeking to enhance CSA adoption in Africa, offering a nuanced understanding of the multifaceted dynamics at play.
Keywords: Administrative Services; A3 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
DOI: 10.3389/FREVC.2024.1356335
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“Multi-wavelength Raman microscopy of nickel-based electron transport in cable bacteria”. Smets B, Boschker HTS, Wetherington MT, Lelong G, Hidalgo-Martinez S, Polerecky L, Nuyts G, De Wael K, Meysman FJR, Frontiers in microbiology 15, 1208033 (2024). http://doi.org/10.3389/FMICB.2024.1208033
Abstract: Cable bacteria embed a network of conductive protein fibers in their cell envelope that efficiently guides electron transport over distances spanning up to several centimeters. This form of long-distance electron transport is unique in biology and is mediated by a metalloprotein with a sulfur-coordinated nickel (Ni) cofactor. However, the molecular structure of this cofactor remains presently unknown. Here, we applied multi-wavelength Raman microscopy to identify cell compounds linked to the unique cable bacterium physiology, combined with stable isotope labeling, and orientation-dependent and ultralow-frequency Raman microscopy to gain insight into the structure and organization of this novel Ni-cofactor. Raman spectra of native cable bacterium filaments reveal vibrational modes originating from cytochromes, polyphosphate granules, proteins, as well as the Ni-cofactor. After selective extraction of the conductive fiber network from the cell envelope, the Raman spectrum becomes simpler, and primarily retains vibrational modes associated with the Ni-cofactor. These Ni-cofactor modes exhibit intense Raman scattering as well as a strong orientation-dependent response. The signal intensity is particularly elevated when the polarization of incident laser light is parallel to the direction of the conductive fibers. This orientation dependence allows to selectively identify the modes that are associated with the Ni-cofactor. We identified 13 such modes, some of which display strong Raman signals across the entire range of applied wavelengths (405–1,064 nm). Assignment of vibrational modes, supported by stable isotope labeling, suggest that the structure of the Ni-cofactor shares a resemblance with that of nickel bis(1,2-dithiolene) complexes. Overall, our results indicate that cable bacteria have evolved a unique cofactor structure that does not resemble any of the known Ni-cofactors in biology.
Keywords: A1 Journal article
DOI: 10.3389/FMICB.2024.1208033
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“The organo-metal-like nature of long-range conduction in cable bacteria”. Pankratov D, Hidalgo Martinez S, Karman C, Gerzhik A, Gomila G, Trashin S, Boschker HTS, Geelhoed JS, Mayer D, De Wael K, Meysman FJR, Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry 157, 108675 (2024). http://doi.org/10.1016/J.BIOELECHEM.2024.108675
Abstract: Cable bacteria are filamentous, multicellular microorganisms that display an exceptional form of biological electron transport across centimeter-scale distances. Currents are guided through a network of nickel-containing protein fibers within the cell envelope. Still, the mechanism of long-range conduction remains unresolved. Here, we characterize the conductance of the fiber network under dry and wet, physiologically relevant, conditions. Our data reveal that the fiber conductivity is high (median value: 27 S cm−1; range: 2 to 564 S cm−1), does not show any redox signature, has a low thermal activation energy (Ea = 69 ± 23 meV), and is not affected by humidity or the presence of ions. These features set the nickel-based conduction mechanism in cable bacteria apart from other known forms of biological electron transport. As such, conduction resembles that of an organic semi-metal with a high charge carrier density. Our observation that biochemistry can synthesize an organo-metal-like structure opens the way for novel bio-based electronic technologies.
Keywords: A1 Journal article
DOI: 10.1016/J.BIOELECHEM.2024.108675
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De Keyzer M, Soens T, Verbruggen C (2024) Mens en natuur : een geschiedenis. 313 p
Abstract: Onze relatie met de natuur om ons heen is, op zijn zachtst gezegd, ingewikkeld. Mensen gingen niet plots een bedreiging vormen voor het leven op aarde nadat ze er eeuwenlang mee in harmonie hadden geleefd. Verschillende ideeën over de omgang met de natuurlijke omgeving – sommige duurzaam, andere ronduit desastreus – hebben altijd naast elkaar bestaan. We waren er ons al verrassend vroeg van bewust dat ons handelen een nefaste impact kon hebben op de natuur. Maar die bezwaren werden geregeld aan de kant geschoven. Deze inleiding tot de milieugeschiedenis helpt de lezer te begrijpen hoe onze hedendaagse problematische omgang met de natuur en ons milieu tot stand is gekomen. Het is een introductie tot het recente onderzoek naar de relatie tussen mens en natuur doorheen de eeuwen, in de Lage Landen en ver daarbuiten.
Keywords: MA2 Book as author; History; Centre for Urban History
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Ahmadi Eshtehardi H (2024) Combined computational-experimental study on plasma and plasma catalysis for N2 fixation. 160 p
Abstract: Humanity feels the urge of shifting to a sustainable society more than at any other time in its history. Electrification of chemical industry plays a key role in this transition. The possibility of producing fertilizers from air using renewable electricity, and simultaneously, no greenhouse gas emission, resulted in an increasing interest toward plasma technology as a solution for electrification of a part of the chemical industry in the past few years. Additionally, the activation of nitrogen molecules by vibrational and electronic excitation reactions in plasma can lead to an energy-efficient process. Last but not least, the modularity (fast on/off characteristic) of plasma technology makes it capable of using intermittent renewable electricity on site for the production of fertilizers using air. All these advantages offered by plasma technology make it a potential solution for the on-site production of fertilizers in small and decentralized plants using air and renewable electricity, which leads to a considerable reduction in fertilizer production and transportation costs. However, industrialization of plasma-based NF suffers from several challenges, including challenges of plasma catalysis for the selective production of desired species, the high energy cost of plasma-based NF compared to current industrial processes, and the design and development of scaled up and energy-efficient plasma reactors for industrial purposes. In the framework of this thesis we have tried to add to the state-of-the-art (SOTA) in plasma-based NOx production and deal with its limitations using a combination of experimental and modelling work.
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.63028/10067/2052460151162165141
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Manaigo F (2024) Study of a gliding arc discharge for sustainable nitrogen fixation into NOx. xxiv, 114 p
Abstract: With the growth of the world population, the agricultural sector is required to meet an increasing demand for nutrients and currently relies on industrially produced fertilizers. Among them, nitrogen-based fertilizers are the most common choice and require N2 to be converted into more reactive molecules in a process called “nitrogen fixation”. This is mainly performed through the Haber-Bosch process, which, is not ideal since it requires large-scale facilities to be economical and is associated with a high energy cost and high CO2 emissions, resulting in an environmental impact that is pushing for the study of greener alternatives. Among these, plasma-based nitrogen fixation into NOx is promising, and gliding arc plasma, specifically, proved to be suitable for nitrogen fixation. This thesis aims to study plasma-based nitrogen fixation focusing on an atmospheric pressure gliding arc plasma on three different levels. On a fundamental level, an approach dealing with laser-based excitation of separate rotational lines was successfully developed. This method can be implemented on atmospheric discharges that produce rather high NOx densities and, thus, can impose essential restrictions for the use of “classical” laser-induced fluorescence methods. The approach is then implemented, providing a discussion on the two-dimensional distributions of both the gas temperature and the NO ground state density. A clear correlation between these quantities is found and the effects of both the gas temperature and the plasma power on NO and NO2 concentrations are discussed, revealing how the NO oxidation is already significant in the plasma afterglow region and how the gas flow rate is a crucial parameter affecting the temperature gradients. >From a technological level, the conventional approach of introducing external resistors to stabilize the arc is challenged by studying both its performance and its stability replacing the external resistor with an inductor. We conclude that similar stabilization results can be obtained while significantly lowering the overall energy cost, which decreased from up to a maximum of 7.9 MJ/mol N to 3 MJ/mol N. Finally, we study whether a small-scale fertilizer production facility based on a gliding arc plasma can be a local competitive alternative. This is done by proposing a comparative model to understand how capital, operative expenditures and transport costs affect the production costs. The model highlights how, with the current best available technology, plasma-based nitrogen fixation, while being an interesting alternative for NOx synthesis, still requires a more efficient use of H2 for direct NH3 production.
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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De Luca F, Abate S, Bogaerts A, Centi G (2024) Electrified CO2 conversion : integrating experimental, computational, and process simulation methods for sustainable chemical synthesis. xv, 152 p
Abstract: Nowadays, the burning of fossil fuels, particularly petroleum, natural gas, and coal, meets the rising need for power and fuels for automobiles and industries. This has given rise to ecological and climate challenges. This thesis explores these issues from three distinct perspectives: (i) experimental, (ii) computational, and (iii) process simulation, with a focus on studying CO2 as an alternative and economically viable raw material. Firstly, the experimental study is focused on the synthesis, characterization, and testing of novel catalysts for electroreduction of CO2 and oxalic acid, an intermediate product of CO2. Electrocatalysts based on Cu supported by citrus (orange and lemon) peel biomass are prepared. These catalysts exhibit activity in the electrochemical reduction of CO2, emphasizing the effectiveness of biomasses, particularly orange peels, as environmentally friendly precursors for sustainable and efficient electrocatalysts. In addition, graphitic carbon nitrides/TiO2 nanotubes (g-C3N4/TiNT) composites are prepared for the electrocatalytic reduction of oxalic acid to glycolic acid, revealing superior electrocatalytic properties compared to pristine TiNT. Characterization by X-ray diffraction, X-ray photoelectron spectroscopy, and scanning electronic microscopy were performed for all the prepared electrocatalysts. Delving into the reduction of CO2 on Cu catalysts, a computational study about the synthesis of methanol on Cu(111) surface is performed by using the Vienna Ab initio Simulation Package. A systematic study is carried out to define the activation energies of the elementary reactions by using mGGA DF. Consequently, it is shown that the rate-controlling step is CH3O* hydrogenation and the formate pathway on Cu(111) proceeds through the HCOOH* intermediate. Finally, the process simulation, performed by using the software Aspen Plus 11 from AspenTech Inc., is based on the comparison of a catalytic (oxidation of ethylene glycol) and an electrocatalytic process (CO2 electroreduction chain) to synthesize glycolic acid. An economic analysis of the operational and investment costs reveals that the catalytic process is more cost-effective due to the current instability of electrocatalysts and proton exchange membranes, resulting in increased maintenance costs and, consequently, higher prices for the product.
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Singlet oxygen-based photoelectrochemical detection of miRNAs in prostate cancer patients&rsquo, plasma : a novel diagnostic tool for liquid biopsy”. Thiruvottriyur Shanmugam S, Campos R, Trashin S, Daems E, Carneiro D, Fraga A, Ribeiro R, De Wael K, Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry 158, 108698 (2024). http://doi.org/10.1016/J.BIOELECHEM.2024.108698
Abstract: Dysregulation of miRNA expression occurs in many cancers, making miRNAs useful in cancer diagnosis and therapeutic guidance. In a clinical context using methods such as polymerase chain reaction (PCR), the limited amount of miRNAs in circulation often limits their quantification. Here, we present a PCR-free and sensitive singlet oxygen (1O2)-based strategy for the detection and quantification of miRNAs in untreated human plasma from patients diagnosed with prostate cancer. A target miRNA is specifically captured by functionalised magnetic beads and a detection oligonucleotide probe in a sandwich-like format. The formed complex is concentrated at the sensor surface via magnetic beads, providing an interface for the photoinduced redox signal amplification. The detection oligonucleotide probe bears a molecular photosensitiser, which produces 1O2 upon illumination, oxidising a redox reporter and creating a redox cycling loop, allowing quantification of pM level miRNA in diluted human plasma within minutes after hybridisation and without target amplification.
Keywords: A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
DOI: 10.1016/J.BIOELECHEM.2024.108698
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“AuNP/MIL-88B-NH₂, nanocomposite for the valorization of nitroarene by green catalytic hydrogenation”. Lelouche SNK, Lemir I, Biglione C, Craig T, Bals S, Horcajada P, Chemistry: a European journal , 1 (2024). http://doi.org/10.1002/CHEM.202400442
Abstract: The efficiency of a catalytic process is assessed based on conversion, yield, and time effectiveness. However, these parameters are insufficient for evaluating environmentally sustainable research. As the world is urged to shift towards green catalysis, additional factors such as reaction media, raw material availability, sustainability, waste minimization and catalyst biosafety, need to be considered to accurately determine the efficacy and sustainability of the process. By combining the high porosity and versatility of metal organic frameworks (MOFs) and the activity of gold nanoparticles (AuNPs), efficient, cyclable and biosafe composite catalysts can be achieved. Thus, a composite based on AuNPs and the nanometric flexible porous iron(III) aminoterephthalate MIL-88B-NH2 was successfully synthesized and fully characterized. This nanocomposite was tested as catalyst in the reduction of nitroarenes, which were identified as anthropogenic water pollutants, reaching cyclable high conversion rates at short times for different nitroarenes. Both synthesis and catalytic reactions were performed using green conditions, and even further tested in a time-optimizing one-pot synthesis and catalysis experiment. The sustainability and environmental impact of the catalytic conditions were assessed by green metrics. Thus, this study provides an easily implementable synthesis, and efficient catalysis, while minimizing the environmental and health impact of the process.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.1002/CHEM.202400442
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“Importance of geometric effects in scaling up energy-efficient plasma-based nitrogen fixation”. Tsonev I, Ahmadi Eshtehardi H, Delplancke M-P, Bogaerts A, Sustainable energy &, fuels , 1 (2024). http://doi.org/10.1039/D3SE01615C
Abstract: Despite the recent promising potential of plasma-based nitrogen fixation, the technology faces significant challenges in efficient upscaling. To tackle this challenge, we investigate two reactors, i.e., a small one, operating in a flow rate range of 5-20 ln min-1 and current range of 200-500 mA, and a larger one, operating at higher flow rate (100-300 ln min-1) and current (400-1000 mA). Both reactors operate in a pin-to-pin configuration and are powered by direct current (DC) from the same power supply unit, to allow easy comparison and evaluate the effect of upscaling. In the small reactor, we achieve the lowest energy cost (EC) of 2.8 MJ mol-1, for a NOx concentration of 1.72%, at a flow rate of 20 ln min-1, yielding a production rate (PR) of 33 g h-1. These values are obtained in air; in oxygen-enriched air, the results are typically better, at the cost of producing oxygen-enriched air. In the large reactor, the higher flow rates reduce the NOx concentration due to lower SEI, while maintaining a similar EC. This stresses the important effect of the geometrical configuration of the arc, which is typically concentrated in the center of the reactor, resulting in limited coverage of the reacting gas flow, and this is identified as the limiting factor for upscaling. However, our experiments reveal that by changing the reactor configuration, and thus the plasma geometry and power deposition mechanisms, the amount of gas treated by the plasma can be enhanced, leading to successful upscaling. To obtain more insights in our experiments, we performed thermodynamic equilibrium calculations. First of all, they show that our measured lowest EC closely aligns with the calculated minimum thermodynamic equilibrium at atmospheric pressure. In addition, they reveal that the limited NOx production in the large reactor results from the contracted nature of the plasma. To solve this limitation, we let the large reactor operate in so-called torch configuration. Indeed, the latter enhances the NOx concentrations compared to the pin-to-pin configuration, yielding a PR of 80 g h-1 at an EC of 2.9 MJ mol-1 and NOx concentration of 0.31%. This illustrates the importance of reactor design in upscaling. With the focus on feasibility evaluation of scaling-up plasma-based nitrogen fixation by combined experiments and thermodynamic modelling, we aim to tackle the challenge of design and development of an energy-efficient and scaled-up plasma reactor.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1039/D3SE01615C
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“Enhanced electrical properties of Bi2-xSbxTe3 nanoflake thin films through interface engineering”. Wu X, Ding J, Cui W, Lin W, Xue Z, Yang Z, Liu J, Nie X, Zhu W, Van Tendeloo G, Sang X, Energy &, environment materials , e12755 (2024). http://doi.org/10.1002/EEM2.12755
Abstract: The structure-property relationship at interfaces is difficult to probe for thermoelectric materials with a complex interfacial microstructure. Designing thermoelectric materials with a simple, structurally-uniform interface provides a facile way to understand how these interfaces influence the transport properties. Here, we synthesized Bi2-xSbxTe3 (x = 0, 0.1, 0.2, 0.4) nanoflakes using a hydrothermal method, and prepared Bi2-xSbxTe3 thin films with predominantly (0001) interfaces by stacking the nanoflakes through spin coating. The influence of the annealing temperature and Sb content on the (0001) interface structure was systematically investigated at atomic scale using aberration-corrected scanning transmission electron microscopy. Annealing and Sb doping facilitate atom diffusion and migration between adjacent nanoflakes along the (0001) interface. As such it enhances interfacial connectivity and improves the electrical transport properties. Interfac reactions create new interfaces that increase the scattering and the Seebeck coefficient. Due to the simultaneous optimization of electrical conductivity and Seebeck coefficient, the maximum power factor of the Bi1.8Sb0.2Te3 nanoflake films reaches 1.72 mW m(-1) K-2, which is 43% higher than that of a pure Bi2Te3 thin film.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.1002/EEM2.12755
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“Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning”. Cioni M, Delle Piane M, Polino D, Rapetti D, Crippa M, Arslan Irmak E, Van Aert S, Bals S, Pavan GM, Advanced Science , 1 (2024). http://doi.org/10.1002/ADVS.202307261
Abstract: Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
DOI: 10.1002/ADVS.202307261
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“Darkening of lead white in old master drawings and historic prints : a multi-analytical investigation”. Pastorelli G, Miranda ASO, Avranovich Clerici E, d'Imporzano P, Hansen BV, Janssens K, Davies GR, Borring N, Microchemical journal 199, 109912 (2024). http://doi.org/10.1016/J.MICROC.2024.109912
Abstract: Old master drawings and historic prints often feature white highlights, which are typically painted using lead white, one of the most widely used historical white pigments. However, it has been observed that many of these highlights discolour over time, becoming dark brown or black due to unclear degradation processes. This phenomenon not only misrepresents the original artefacts, threatening their suitability for public display, but also diminishes their longevity. To ensure their preservation, it is essential to determine why some lead white highlights in these museum objects retain their light tones while others are prone to darkening. The objective of this study was to identify the relationships between the composition, provenance, and production methods of lead white pigments, and their role in the discolouration observed on drawings, lithographs and early photographs. Selected samples and artefacts were examined using a range of analytical techniques, namely X-ray fluorescence spectroscopy (XRF), X-ray powder diffraction (XRPD), and lead isotope analysis. While XRF analyses confirmed the presence of lead as the primary element in the majority of the highlights, XRPD measurements identified a variety of lead compounds such as the carbonates cerussite and hydrocerussite alongside galena-a black crystalline sulfide-and lead sulfates. Additionally, isotope analyses classified the lead raw materials into five main groups. Through these measurements, the examined lead white pigments were categorised based on their compositional properties in relation to the raw materials used, as well as their geographical and temporal origin. A significant finding is that lead white pigments from different production periods, spanning from older to more modern, may be characterised by varying proneness to discolouration irrespective of their provenance.
Keywords: A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS)
DOI: 10.1016/J.MICROC.2024.109912
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“Goodenough-Kanamori-Anderson high-temperature ferromagnetism in tetragonal transition-metal xenes”. Yorulmaz U, Šabani D, Sevik C, Milošević, MV, 2D materials 11, 035013 (2024). http://doi.org/10.1088/2053-1583/AD3E08
Abstract: Seminal Goodenough-Kanamori-Anderson (GKA) rules provide an inceptive understanding of the superexchange interaction of two magnetic metal ions bridged with an anion, and suggest fostered ferromagnetic interaction for orthogonal bridging bonds. However, there are no examples of two-dimensional (2D) materials with structure that optimizes the GKA arguments towards enhanced ferromagnetism and its critical temperature. Here we reveal that an ideally planar GKA ferromagnetism is indeed stable in selected tetragonal transition-metal xenes (tTMXs), with Curie temperature above 300 K found in CrC and MnC. We provide the general orbitally-resolved analysis of magnetic interactions that supports the claims and sheds light at the mechanisms dominating the magnetic exchange process in these structures. Furthermore, we propose the set of three GKA-like rules that will guarantee room temperature ferromagetnism. With recent advent of epitaxially-grown tetragonal 2D materials, our findings earmark tTMXs for facilitated spintronic and magnonic applications, or as a desirable magnetic constituent of functional 2D heterostructures.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1088/2053-1583/AD3E08
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“Effects of intralayer correlations on electron-hole double-layer superfluidity”. Pascucci F, Conti S, Perali A, Tempère J, Neilson D, Physical review B 109, 094512 (2024). http://doi.org/10.1103/PHYSREVB.109.094512
Abstract: We investigate the intralayer correlations acting within the layers in a superfluid system of electron -hole spatially separated layers. In this system, superfluidity is predicted to be almost exclusively confined to the Bose-Einstein condensate (BEC) and crossover regimes where the electron -hole pairs are well localized. In this case, Hartree-Fock is an excellent approximation for the intralayer correlations. We find in the BEC regime that the effect of the intralayer correlations on superfluid properties is negligible but in the BCS-BEC crossover regime the superfluid gap is significantly weakened by the intralayer correlations. This is caused by the intralayer correlations boosting the number of low -energy particle -hole excitations that drive the screening. We further find that the intralayer correlations suppress the predicted phenomenon in which the average pair size passes through a minimum as the crossover regime is traversed.
Keywords: A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
DOI: 10.1103/PHYSREVB.109.094512
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“McMillan-Ginzburg-Landau theory of singularities and discommensurations in charge density wave states of transition metal dichalcogenides”. Moura VN, Chaves A, Peeters FM, Milošević, MV, Physical review B 109, 094507 (2024). http://doi.org/10.1103/PHYSREVB.109.094507
Abstract: The McMillan-Ginzburg-Landau (MGL) model for charge density waves (CDW) is employed in a systematic phenomenological study of the different phases that have been probed in recent experiments involving transition metal dichalcogenides. We implemented an efficient imaginary time evolution method to solve the MGL equations, which enabled us to investigate the role of different coupling parameters on the CDW patterns and to perform calculations with different energy functionals that lead to several experimentally observed singularities in the CDW phase profiles. In particular, by choosing the appropriate energy functionals, we were able to obtain phases that go beyond the well-known periodic phase slips (discommensurations), exhibiting also topological defects (i.e., vortex-antivortex pairs), domain walls where the CDW order parameter is suppressed, and even CDW with broken rotational symmetry. Finally, we briefly discuss the effect of these different CDW phases on the profile and critical temperature of the competing superconducting state.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1103/PHYSREVB.109.094507
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“The environmental impacts of the lignin-first biorefineries : a consequential life cycle assessment approach”. Tschulkow M, Pizzol M, Compernolle T, Van den Bosch S, Sels B, Van Passel S, Resources, conservation and recycling 204, 107466 (2024). http://doi.org/10.1016/J.RESCONREC.2024.107466
Abstract: The emerging reductive catalytic fractionation biorefinery which is currently under development aims to convert woody biomass efficiently into high-value products. Despite its potential, the environmental consequences of its implementation are not well known. Therefore, a forward-looking consequential life cycle assessment examines greenhouse gas emissions associated with its products (pulp, phenolic monomers, and oligomers) compared to alternative market options. Findings indicate that current greenhouse gas emissions exceed those of the existing alternatives, with by-products and the gaseous waste stream as major contributors. Process adaption to (i) produce higher-valued products (bleached pulps, phenols, and propylene) and (ii) incinerate gaseous waste stream for energy are proposed, potentially reducing emissions by up to 50 %, outperforming alternative options. Compared to land-based transportation, waterways can increase feedstock availability by up to 1000 km without an increase in emissions. In conclusion, the consequential approach provides valuable insights for enhancing and optimizing the environmental performance of the process.
Keywords: A1 Journal article; Engineering Management (ENM)
DOI: 10.1016/J.RESCONREC.2024.107466
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