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  1. Effective human-human and human-autonomy teamwork is critical but often challenging to perfect. The challenge is particularly relevant in time-critical domains, such as healthcare and disaster response, where the time pressures can make coordination increasingly difficult to achieve and the consequences of imperfect coordination can be severe. To improve teamwork in these and other domains, we present TIC: an automated intervention approach for improving coordination between team members. Using BTIL, a multi-agent imitation learning algorithm, our approach first learns a generative model of team behavior from past task execution data. Next, it utilizes the learned generative model and team's task objective (shared reward) to algorithmically generate execution-time interventions. We evaluate our approach in synthetic multi-agent teaming scenarios, where team members make decentralized decisions without full observability of the environment. The experiments demonstrate that the automated interventions can successfully improve team performance and shed light on the design of autonomous agents for improving teamwork. 
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  2. Inspired by the advantages of bi-atom catalysts and recent exciting progresses of nanozymes, by means of density functional theory (DFT) computations, we explored the potential of metal dimers embedded in phthalocyanine monolayers (M2-Pc), which mimics the binuclear centers of methane monooxygenase, as catalysts for methane conversion using H2O2 as an oxidant. In total, 26 transition metal (from group IB to VIIIB) and four main group metal (M = Al, Ga, Sn and Bi) dimers were considered, and two methane conversion routes, namely *O-assisted and *OH-assisted mechanisms were systematically studied. The results show that methane conversion proceeds via an *OH-assisted mechanism on the Ti2-Pc, Zr2-Pc and Ta2-Pc, a combination of *O- and *OH-assisted mechanism on the surface of Sc2-Pc, respectively. Our theoretical work may provide impetus to developing new catalysts for methane conversion and help stimulate further studies on metal dimer catalysts for other catalytic reactions. 
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  3. Abstract

    Prelithiation as a facile and effective method to compensate the lithium inventory loss in the initial cycle has progressed considerably both on anode and cathode sides. However, much less research has been devoted to the prelithiation effect on the interface stabilization for long‐term cycling of Si‐based anodes. An in‐depth quantitative analysis of the interface that forms during the prelithiation of SiOxis presented here and the results are compared with prelithiaton of Si anodes. Local structure probe combined with detailed electrochemical analysis reveals that a characteristic mosaic interface is formed on both prelithiated SiOxand Si anodes. This mosaic interface containing multiple lithium silicates phases, is fundamentally different from the solid electrolyte interface (SEI) formed without prelithiation. The ideal conductivity and mechanical properties of lithium silicates enable improved cycling stability of both prelithiated anodes. With a higher ratio of lithium silicates due to the oxygen participation, prelithiated SiO1.3anode improves the initial coulombic efficiency to 94% in full cell and delivers good cycling retention (77%) after 200 cycles. The insights provided in this work can be used to further optimize high Si loading (>70% by weight) based anodes in future high energy density batteries.

     
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  4. Steam reforming of methane (SRM) is one of the most important industrial processes, which produces 95% of hydrogen used in the USA. However, SRM is an endothermic reaction, which requires a high energy input and a high reaction temperature (>800 °C) for the current process. Furthermore, its products must be subjected to a water–gas shift (WGS) process. A photocatalytic process is expected to solve the energy issue and to eliminate the necessity of WGS for SRM. However, the hydrogen yield from the current photocatalytic steam reforming of methane (PSRM) is very low (μmol h −1 g −1 level), which is far below industrial interest. This work demonstrates that a Pt/blackTiO 2 catalyst dispersed on a light-diffuse-reflection-surface is excellent for efficient visible-light PSRM. Under visible light illumination on the catalyst by filtering UV light from AM 1.5G sunlight, CH 4 and H 2 O were directly converted into H 2 and CO 2 without WGS, leading to a high H 2 yield of 185 mmol h −1 g −1 with a quantum efficiency of 60% at 500 °C. The yield is 3 orders of magnitude larger than the reported values, which can be attributed to the synergistic effect between potential and kinetic energies. This opens up a new opportunity for hydrogen production from water and natural gas using solar energy. 
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  5. Abstract

    The 3D nanocomposite structure of plated lithium (LiMetal) and solid electrolyte interphases (SEI), including a polymer‐rich surficial passivation layer (SEI exoskeleton) and inorganic SEI “fossils” buried inside amorphous Li matrix, is resolved using cryogenic transmission electron microscopy. With ether‐based DOLDME‐LiTFSI electrolyte, LiF and Li2O nanocrystals are formed and embedded in a thin but tough amorphous polymer in the SEI exoskeleton. The fast Li‐stripping directions are along or , which produces eight exposed {111} planes at halfway charging. Full Li stripping produces completely sagging, empty SEI husks that can sustain large bending and buckling, with the smallest bending radius of curvature observed approaching tens of nanometers without apparent damage. In the 2nd round of Li plating, a thin LiBCCsheet first nucleates at the current collector, extends to the top end of the deflated SEI husk, and then expands its thickness. The apparent zero wetting angle between LiBCCand the SEI interior means that the heterogeneous nucleation energy barrier is zero. Due to its complete‐wetting property and chemo‐mechanical stability, the SEI largely prevents further reactions between the Li metal and the electrolyte, which explains the superior performance of Li‐metal batteries with ether‐based electrolytes. However, uneven refilling of the SEI husks results in dendrite protrusions and some new SEI formation during the 2nd plating. A strategy to form bigger SEI capsules during the initial cycle with higher energy density than the following cycles enables further enhanced Coulombic efficiency to above 99%.

     
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  6. Abstract

    The solid electrolyte interphase (SEI) dictates the cycling stability of lithium‐metal batteries. Here, direct atomic imaging of the SEI's phase components and their spatial arrangement is achieved, using ultralow‐dosage cryogenic transmission electron microscopy. The results show that, surprisingly, a lot of the deposited Li metal has amorphous atomic structure, likely due to carbon and oxygen impurities, and that crystalline lithium carbonate is not stable and readily decomposes when contacting the lithium metal. Lithium carbonate distributed in the outer SEI also continuously reacts with the electrolyte to produce gas, resulting in a dynamically evolving and porous SEI. Sulfur‐containing additives cause the SEI to preferentially generate Li2SO4and overlithiated lithium sulfate and lithium oxide, which encapsulate lithium carbonate in the middle, limiting SEI thickening and enhancing battery life by a factor of ten. The spatial mapping of the SEI gradient amorphous (polymeric → inorganic → metallic) and crystalline phase components provides guidance for designing electrolyte additives.

     
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