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Sökning: L773:2468 6069

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1.
  • Anikina, E. V., et al. (författare)
  • Influence of Kubas-type interaction of B-Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency
  • 2020
  • Ingår i: Materials Today Energy. - : Elsevier. - 2468-6069. ; 16
  • Tidskriftsartikel (refereegranskat)abstract
    • We have investigated functionalized 2D carbon allotrope, graphdiyne (GDY), as a promising hydrogen storage media. Density functional theory with a range of vdW corrections was employed to study Ni decoration of pristine and boron-doped GDY and the interaction of resulting structures with molecular hydrogen. We showed that boron-doped GDY is thermally stable at 300 K, though, its synthesis requires an endothermic reaction. Also, boron doping enhances Ni binding with the graphdiyne by increasing the charge transfer from Ni to GDY. Ni doping drastically influenced hydrogen adsorption energies: they rise from similar to 70 meV per H-2 molecule on pristine GDY to a maximum of 1.29 eV per H-2 becoming too high in value for room temperature reversible applications. Boron doping improves the situations: in this case, after Ni decoration desorption temperature estimation is similar to 300-500 K. Overall, each Ni adatom on B-doped GDY can bind only one H-2 molecule within the needed energy range, which gives low hydrogen uptake (similar to 1.2 wt%). However, doping with boron led to the decrease in the value of hydrogen adsorption energy and good desorption temperature estimations, therefore, codoping of metal atoms and boron could be an effective strategy for other transition metals.
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2.
  • Asfaw, Habtom Desta, Dr. 1986-, et al. (författare)
  • Facile synthesis of hard carbon microspheres from polyphenols for sodium-ion batteries : insight into local structure and interfacial kinetics
  • 2020
  • Ingår i: Materials Today Energy. - 2468-6069. ; 18
  • Tidskriftsartikel (refereegranskat)abstract
    • Hard carbons are the most promising negative active materials for sodium ion storage. In this work, a simple synthesis approach is proposed to produce hard carbon microspheres (CMSs) (with a mean diameter of ~1.3 μm) from resorcinol-formaldehyde precursors produced via acid-catalyzed polycondensation reaction. Samples prepared at 1200, 1400, and 1500 oC showed different electrochemical behavior in terms of reversible capacity, initial coulombic efficiency (iCE), and the mechanism of sodium ion storage. The specific capacity contributions from the flat voltage profile (<0.1 V) and the sloping voltage region (0.1–1 V) showed strong correlation to the local structure (and carbonization temperature) determined by the interlayer spacing (d002) and the Raman ID/IG ratio of the hard carbons (HCs) and the rate of cycling. Electrochemical tests indicated that the HC synthesized at 1500 oC performed best with an iCE of 85–89% and a reversible capacity of 300–340 mAh g−1 at 10 mA g−1, with the majority of charge stored below 0.1 V. The d002 and the ID/IG ratio for the sample were ~3.7 Å and ~1.27, respectively, parameters indicative of the ideal local structure in HCs required for optimum performance in sodium-ion cells. In addition, galvanostatic tests on three-electrode half-cells cells revealed that sodium metal plating occurred as cycling rates were increased beyond 80 mA g−1 leading to considerably high capacity and poor coulombic efficiency, a point that must be considered in full-cell batteries. Pairing the hard CMS electrodes with Prussian white positive electrode, a proof-of-concept cell could provide a specific capacity of almost 100 mAh g−1 maintained for more than 50 cycles with a nominal voltage of 3 V.
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3.
  • Calcagno, Giulio, 1990, et al. (författare)
  • Fast charging negative electrodes based on anatase titanium dioxide beads for highly stable Li-ion capacitors
  • 2020
  • Ingår i: Materials Today Energy. - 2468-6069. ; 16
  • Tidskriftsartikel (refereegranskat)abstract
    • Hybrid energy storage systems aim to achieve both high power and energy densities by combining supercapacitor-type and battery-type electrodes in tandem. The challenge is to find sustainable materials as fast charging negative electrodes, which are characterized by high capacity retention. In this study, mesoporous anatase beads are synthetized with tailored morphology to exploit fast surface redox reactions. The TiO2-based electrodes are properly paired with a commercial activated carbon cathode to form a Li-ion capacitor. The titania electrode exhibits high capacity and rate performance. The device shows extremely stable performance with an energy density of 27 mWh g-1 at a specific current of 2.5 A g−1 for 10,000 cycles. The remarkable stability is associated with a gradual shift of the potential during cycling as result of the formation of cubic LiTiO2 on the surface of the beads. This phenomenon renews the interest in using TiO2 as negative electrode for Li-ion capacitors.
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4.
  • Castin, N., et al. (författare)
  • The dominant mechanisms for the formation of solute-rich clusters in low-Cu steels under irradiation
  • 2020
  • Ingår i: Materials Today Energy. - : Elsevier BV. - 2468-6069. ; 17
  • Tidskriftsartikel (refereegranskat)abstract
    • The formation of nano-sized, coherent, solute-rich clusters (NSRC) is known to be an important factor causing the degradation of the macroscopic properties of steels under irradiation. The mechanisms driving their formation are still debated. This work focuses on low-Cu reactor pressure vessel (RPV) steels, where solute species are generally not expected to precipitate. We rationalize the processes that take place at the nanometer scale under irradiation, relying on the latest theoretical and experimental evidence on atomic-level diffusion and transport processes. These are compiled in a new model, based on the object kinetic Monte Carlo (OKMC) technique. We evaluate the relevance of the underlying physical assumptions by applying the model to a large variety of irradiation experiments. Our model predictions are compared with new experimental data obtained with atom probe tomography and small angle neutron scattering, complemented with information from the literature. The results of this study reveal that the role of immobilized self-interstitial atoms (SIA) loops dominates the nucleation process of NSRC.
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5.
  • Chen, C., et al. (författare)
  • Molecular engineering of ionic type perylenediimide dimer-based electron transport materials for efficient planar perovskite solar cells
  • 2018
  • Ingår i: Materials Today Energy. - : Elsevier Ltd. - 2468-6069. ; 9, s. 264-270
  • Tidskriftsartikel (refereegranskat)abstract
    • The main of this work is to overcome the drawbacks of the traditional fullerene derivatives used as electron transport materials (ETMs) for perovskite solar cells (PSCs). Herein, a new strategy to design non-fullerene ETMs is presented by molecular engineering to include charged moieties in the ETM. The designed ETM FA2+-PDI2 is intrinsically ionic and the incorporated counter ions in FA2+-PDI2 significantly increase the electron conductivity and improve the film formation properties. Through careful device optimization, PSCs based on the ionic ETM FA2+-PDI2 exhibit an impressive average power conversion efficiency (PCE) of 17.0%, which is comparable to the PSC based on PC61BM (17.5%). The superior photovoltaic performance can be attributed to efficient electron extraction and effective electron transfer in the PSCs. This work provides important insights regarding the future design of new and efficient non-fullerene ETMs for PSCs. 
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6.
  • Hernández, Guiomar, et al. (författare)
  • Polyimide-polyether bindersediminishing the carbon content in lithium-sulfur batteries
  • 2017
  • Ingår i: Materials Today Energy. - 2468-6069. ; 6, s. 264-270
  • Tidskriftsartikel (refereegranskat)abstract
    • Lithium-sulfur batteries are on the run to become the next generation energy storage technology. First of all due to its high theoretical energy density but also for its sustainability and low cost. However, there are still several challenges to take into account such as reducing the shuttle effect, decreasing the amount of conductive carbon to increase the energy density or enhancing the sulfur utilization. Herein, redox-active binders based on polyimide-polyether copolymers have been proposed as a solution to those drawbacks. These multiblock copolymers combine the ability of poly (ethylene oxide) to act as polysulfide trap and the properties of the imide groups to redox mediate the charge-discharge of sulfur. Thus, poly (ethylene oxide) block helps with the shuttle effect and mass transport in the electrode whereas the polyimide part enhances the charge transfer promoting the sulfur utilization. Sulfur cathodes containing pyromellitic, naphthalene or perylene polyimide-polyether binders featured improved cell performance in comparison with pure PEO binder. Among them, the electrode with naphthalene polyimide-PEO binder showed the best results with an initial capacity of 1300 mA h g(-1) at C/5, low polarization and 70% capacity retention after 30 cycles. Reducing the amount of carbon black in the cathode to 5 wt%, the cell with the redox-active binder was able to deliver 500 mA h g(-1) at C/5 with 78% capacity retention after 20 cycles. Our results demonstrate the possibility to reduce the amount of carbon by introducing polyimide-polyether copolymers as redox-active binders, increasing the sulfur utilization, redox kinetics and stability of the cell. (C) 2017 Elsevier Ltd. All rights reserved.
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7.
  • Huseynova, Gunel, et al. (författare)
  • Charge generation efficiency of electrically doped organic semiconductors
  • 2021
  • Ingår i: Materials Today Energy. - : Elsevier. - 2468-6069. ; 21
  • Tidskriftsartikel (refereegranskat)abstract
    • Organic semiconductors (OSCs) have been a significant focus of research for electronic devices over the years exclusively due to their superior mechanical and optical properties as opposed to conventional inorganic semiconductors (ISCs) such as silicon or germanium. These unique materials have smoothened the path for developing extremely light-weight and ultrathin electronic devices with built-in flexibility and transparency for a considerably low cost. However, the commercial application of these organic materials is limited by their inferior electrical conductivity and charge carrier mobility compared with inorganic counterparts. This review article presents an overview of the works published on how to control and adjust the electrical conductivity of OSCs, focusing on electrical doping. The main point of this review is related to the principles and fundamental mechanisms of charge generation efficiency (CGE) in OSCs, which are significantly different from those of ISCs. The reported CGE of OSCs, defined as the ratio of the generated charge carriers to the dopants, is found to be in the range of a few percent and is significantly small compared with the ISCs. The origin of this lies in the lower dissociation rate of the charge transfer complexes (CTCs) formed between the tightly bound ionized dopants and generated charges. The CTCs induce localized electron-hole pairs, and the dissociation of such CTCs into free charge carriers requires large activation energies to overcome the strong Coulombic forces exerted on the generated charges by the dopant ions. Therefore, high doping concentrations are required to generate a large number of free charge carriers in doped OSC films. In this review, the CGE of OSCs is discussed in detail from the point of view of CTC formation and charge separation efficiencies.
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8.
  • Liu, Jianhua, et al. (författare)
  • Metal nanowire networks : Recent advances and challenges for new generation photovoltaics
  • 2019
  • Ingår i: Materials Today Energy. - : ELSEVIER SCI LTD. - 2468-6069. ; 13, s. 152-185
  • Forskningsöversikt (refereegranskat)abstract
    • Transparent conducting electrodes which allow photons passing through and simultaneously transfers the charge carriers are critical for the construction of high-performance photovoltaic cells. Electrodes based on metal oxides, such as indium-doped tin oxide (ITO) or fluorine-doped tin oxide (FTO), may have limited application in new generation flexible solar cells, which employ solution-processed roll-to-roll or ink-printing techniques toward large-area-fabrication approach, due to their brittleness and poor mechanical properties. Metal nanowire network (MNWN) emerges as a highly potential alternative candidate instead of ITO or FTO due to the high transparency, low sheet resistance, low cost, solution processable and compatibility with a flexible substrate for high throughput production. This feature article systematically summarizes the recent advances of the MNWNs, including new concepts and emerging strategies for the synthesis of metal nanowires (MNWs), various approaches for the preparation of MNWNs and comprehensively discusses the novel MNWN electrodes prepared on different substrates. The state-of-the-art new generation solar cell devices, such as transparent, flexible and light-weight solar cells, with MNWN as a transparent conductive electrode are emphasized. Finally, the opportunities and challenges for the development of MNWN electrodes toward application in the new generations of photovoltaic devices are discussed.
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9.
  • Raza, Rizwan, 1980, et al. (författare)
  • Functional ceria-based nanocomposites for advanced low-temperature (300–600 °C) solid oxide fuel cell: A comprehensive review
  • 2020
  • Ingår i: Materials Today Energy. - : Elsevier. - 2468-6069. ; 15
  • Forskningsöversikt (refereegranskat)abstract
    • There is world tendency to develop SOFC to lower temperatures and two technical routes and approaches are going in parallel. One is to use thin film technology, focussing on reducing the electrolyte thickness on conventional electrolyte, e.g. YSZ (yttria-stabilized zirconia) and SDC (samaria-doped ceria) to reduce the cell resistance i.e. to lower the operational temperatures. Another technique is to develop new materials, e.g. functional nanocomposites. This paper presents a state-of-the-art of nanocomposite electrolytes-based advanced fuel cell technology, i.e. low-temperature (300–600 °C) ceria-based fuel cells, a new scenario for fuel cell R&D with an overview of important aspects and frontier subjects. A typical nanocomposite has a core–shell type structure in nano-scale, in which ceria forms a core and a salt, e.g. carbonate or another oxide develops a shell layer covering the core. The functionality of nanocomposites is determined by the interfaces between the constituent phases, which can lead to super or fast ions transport (H+ and O2−) at interfaces. Ionic conductivities >0.1 S cm−1 already at ~300 °C have been reported. Five major characteristics of nanocomposites have been identified as important to their properties and applications in fuel cells: i) advanced materials design based on non-structure or interfacial properties/mechanisms; ii) dual or hybrid H+ and O2− conduction; iii) interfacial super-ionic conduction; iv) transition from non-functional to functional materials; v) use of interfacial and surface redox agents and reactions. In the fuel cell context, it is refer to these functional nano-composites as NANOCOFC (Nanocomposites for Advanced Fuel Cells) to distinguish them from the traditional SOFCs and to be oriented to a new fuel cell R&D strategy.
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10.
  • Yang, Xianzhong, et al. (författare)
  • Plasmon-exciton coupling of monolayer MoS2-Ag nanoparticles hybrids for surface catalytic reaction
  • 2017
  • Ingår i: Materials Today Energy. - : Elsevier Ltd. - 2468-6069. ; 5, s. 72-78
  • Tidskriftsartikel (refereegranskat)abstract
    • The optical properties of monolayer molybdenum disulfide (MoS2)/Ag nanoparticle (NP) hybrids and their application to surface catalytic reactions were studied by transmission, photoluminescence (PL) and Raman spectroscopies. The local surface plasmon resonance (LSPR) of Ag nanoparticles was tuned to better match the exciton energy of monolayer MoS2. The PL of the hybrids was enhanced by more than 50 times when the local surface plasmon resonance (LSPR) peak was tuned systematically from 438 nm to 532 nm, indicating a stronger coupling and higher energy transfer rate between the plasmon of the Ag NPs and the excitons of the MoS2. Additionally, photocatalytic reactions of 4-nitrobenzenethiol (4NBT) were performed on the MoS2, the Ag nanoparticles, and the hybrid MoS2 with Ag nanoparticles. On the MoS2 substrate alone, there is no photocatalytic reaction. With a low laser intensity, the probability of a chemical reaction occurring for molecules directly adsorbed onto the Ag NPs is much lower than the probability of a reaction involving those molecules adsorbed onto the MoS2/Ag substrate. At a higher power, although the electric field was reduced by approximately 30% by the MoS2 layer, there is better efficiency for the plasmon-exciton co-driven surface catalytic reactions on the MoS2/Ag substrate compared to the Ag substrate alone. Our findings illustrate the potential to control hot carriers for better surface catalytic reactions by tuning the exciton-plasmon coupling between the 2D transition metal dichalcogenides (TMDCs) and Ag NPs.
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