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  1. Integration of Fullerenes as Electron Acceptors in 3D Graphene Networks: Enhanced Charge Transfer and Stability through Molecular Design

    Here, we report a concept that allows the integration of the characteristic properties of [60]fullerene in 3D graphene networks. In these systems, graphene provides high electrical conductivity and surface area while fullerenes add high electron affinity. We use molecular design to optimize the interaction between 3D graphene networks and fullerenes, specifically in the context of stability and charge transfer in an electrochemical environment. We demonstrated that the capacity of the 3D graphene network is critcally improved upon the addition of C60 and C60 monoadducts by providing additional acceptor states in the form of low-lying lowest unoccupied molecular orbitals of C60more » and its derivative. Guided by experimental results and first-principles calculations, we synthesized and tested a C60 monoadduct with increased stability by strengthening the 3D graphene–C60 van-der-Waals interactions. The synthesis approach and stabilization strategy presented here is expected to benefit the integration of graphene–C60 hybrid materials in solar cell and charge storage applications.« less
  2. Terawatt-scale photovoltaics: Transform global energy

    Solar energy has the potential to play a central role in the future global energy system because of the scale of the solar resource, its predictability, and its ubiquitous nature. Global installed solar photovoltaic (PV) capacity exceeded 500 GW at the end of 2018, and an estimated additional 500 GW of PV capacity is projected to be installed by 2022-2023, bringing us into the era of TW-scale PV. Given the speed of change in the PV industry, both in terms of continued dramatic cost decreases and manufacturing-scale increases, the growth toward TW-scale PV has caught many observers, including many ofmore » us (1), by surprise. Two years ago, we focused on the challenges of achieving 3 to 10 TW of PV by 2030. Here, we envision a future with ~10 TW of PV by 2030 and 30 to 70 TW by 2050, providing a majority of global energy. PV would be not just a key contributor to electricity generation but also a central contributor to all segments of the global energy system. We discuss ramifications and challenges for complementary technologies (e.g., energy storage, power to gas/liquid fuels/chemicals, grid integration, and multiple sector electrification) and summarize what is needed in research in PV performance, reliability, manufacturing, and recycling.« less
  3. From Battery Cell to Electrodes: Real-time Estimation of Charge and Health of Individual Battery Electrodes

    Correct information of battery internal variables is crucial for health-conscious and optimal battery management. Because of lack of measurements, advanced Battery Management Systems (BMS) rely heavily on estimation algorithms that provide such internal information. Although algorithms for cell-level charge and health estimation have been widely explored in literature, algorithms for electrode-level quantities are almost non-existent. The main obstacle in electrode-level estimation is the observability problem where the individual electrode states are not observable from terminal voltage output. However, if available, real-time feedback of electrode-level charge and health can be highly beneficial in maximizing energy utilization and battery life. Motivated bymore » this scenario, we propose a real-time algorithm that estimates the available charge and health of individual electrodes. We halt the aforementioned observability problem by proposing an uncertain model-based cascaded estimation framework. The design and analysis of the proposed scheme are aided by a combination of Lyapunov's stability theory, adaptive observer theory, and interconnected systems theory. Finally, we illustrate the effectiveness of the estimation scheme by performing extensive simulation and experimental studies.« less
  4. Analysis of operating reserve demand curves in power system operations in the presence of variable generation

    The electric power industry landscape is continually evolving. As emerging technologies such as wind and solar generating systems become more cost effective, traditional power system operating strategies will need to be re-evaluated. The presence of wind and solar generation (commonly referred to as variable generation or VG) can increase variability and uncertainty in the net-load profile. One mechanism to mitigate this issue is to schedule and dispatch additional operating reserves. These operating reserves aim to ensure that there is enough capacity online in the system to account for the increased variability and uncertainty occurring at finer temporal resolutions. A newmore » operating reserve strategy, referred to as flexibility reserve, has been introduced in some regions. A similar implementation is explored in this study, and its implications on power system operations are analyzed. Results show that flexibility reserve products can improve economic metrics, particularly in significantly reducing the number of scarcity pricing events, with minimal impacts on reliability metrics and production costs. Furthermore, the production costs increased due to increased VG curtailment - i.e. including the flexible ramping product in the commitment of excess thermal capacity that needed to remain online at the expense of VG output.« less
  5. Modelling the sulfate capacity of simulated radioactive waste borosilicate glasses

    In this paper, the capacity of simulated high-level radioactive waste borosilicate glasses to incorporate sulfate has been studied as a function of glass composition. Combined Raman, 57Fe Mössbauer and literature evidence supports the attribution of coordination numbers and oxidation states of constituent cations for the purposes of modelling, and results confirm the validity of correlating sulfate incorporation in multicomponent borosilicate radioactive waste glasses with different models. A strong compositional dependency is observed and this can be described by an inverse linear relationship between incorporated sulfate (mol% SO42-) and total cation field strength index of the glass, Σ(z/a2), with a highmore » goodness-of-fit (R2 ≈ 0.950). Similar relationships are also obtained if theoretical optical basicity, Λth (R2 ≈ 0.930) or non-bridging oxygen per tetrahedron ratio, NBO/T (R2 ≈ 0.919), are used. Finally, results support the application of these models, and in particular Σ(z/a2), as predictive tools to aid the development of new glass compositions with enhanced sulfate capacities.« less
  6. Mechanically and Chemically Robust Sandwich-Structured C@Si@C Nanotube Array Li-Ion Battery Anodes

    Stability and high energy densities are essential qualities for emerging battery electrodes. Because of its high specific capacity, silicon has been considered a promising anode candidate. However, the several-fold volume changes during lithiation and delithiation leads to fractures and continuous formation of an unstable solid-electrolyte interphase (SEI) layer, resulting in rapid capacity decay. Here, we present a carbon–silicon–carbon (C@Si@C) nanotube sandwich structure that addresses the mechanical and chemical stability issues commonly associated with Si anodes. The C@Si@C nanotube array exhibits a capacity of ~2200 mAh g–1 (~750 mAh cm–3), which significantly exceeds that of a commercial graphite anode, and amore » nearly constant Coulombic efficiency of ~98% over 60 cycles. In addition, the C@Si@C nanotube array gives much better capacity and structure stability compared to the Si nanotubes without carbon coatings, the ZnO@C@Si@C nanorods, a Si thin film on Ni foam, and C@Si and Si@C nanotubes. In situ SEM during cycling shows that the tubes expand both inward and outward upon lithiation, as well as elongate, and then revert back to their initial size and shape after delithiation, suggesting stability during volume changes. The mechanical modeling indicates the overall plastic strain in a nanotube is much less than in a nanorod, which may significantly reduce low-cycle fatigue. Furthermore, the sandwich-structured nanotube design is quite general, and may serve as a guide for many emerging anode and cathode systems.« less
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