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At least 973 records · Page 54

CIRCLES: Congestion Impacts Reduction via CAV-in-the-loop Lagrangian Energy Smoothing

The energy efficiency of today’s vehicular mobility relies on the un-integrated combination of i) control via static assets (traffic lights, metering, variable speed limits, etc.); and ii) onboard vehicle automation (adaptive cruise control (ACC), ecodriving, etc.). These two families of control were not co-designed and are not engineered to work in coordination. Recent studies have shown i) limitations of controls, and even ii) negative impacts of ACC. This project focused on the technology development, implementation and prototyping, and validation of Mobile Traffic Control (MTC). MTC can be viewed as an extension of classical traffic control (in which static infrastructure actuates traffic flow). In the MTC paradigm, automated vehicles actuate the entire flow via their behavior, offering enhanced possibilities to optimize the energy footprint of traffic, if designed correctly. We set out to demonstrate for the first time that considerably reduced fuel consumption of all vehicles in traffic can be achieved via distributed control of a small proportion of CAVs. Compared to baseline vehicular technologies, our work offers a significant design departure: control algorithms for the CAVs consider the impact one vehicle can have on overall traffic, improving resulting overall fuel consumption. We focus on using a few vehicles (as traffic controllers via CAV technology) to improve the energy efficiency of traffic flow to further optimize energy efficiency. A live-traffic demonstration in November 2022 featured the deployment of 100 specially-equipped CAVs, constituting an approximate local penetration rate upwards of 2%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Actinium–DOTA coordination in water from hybrid ML/MM: Structure, free energies, and water-exchange pathways

Quantitative simulation of trivalent ƒ-block chelates in water remains challenging because bonded and non-bonded force-field models make different approximations for coordination structure, exchange dynamics, and ion–ligand interactions in highly charged systems. Here, we develop a hybrid machine-learning/molecular-mechanics (ML/MM) framework for Ac 3+ –DOTA in explicit solvent by training an E(3)-equivariant neural network potential (MACELES) on mechanically embedded QM/MM data for Ac aquo and Ac–DOTA species and coupling it to NAMD 2.14 with particle-mesh Ewald electrostatics. Nanosecond ML/MM trajectories remain numerically stable and preserve chelate integrity, yielding a compact DOTA inner shell with an inner-sphere water coordination number of CN Ac,O w ≈ 1.7 arising from a dynamic equilibrium between one- and two-water states (37.5% and 59.9% of frames; three waters 2.5%). A 5 ns potential of mean force shows two low-lying basins at CN Ac,O w ≈ 1 and CN Ac,O w ≈ 2. DFT end-state free energies are consistent with the ML/MM profile, and DFT minimum-energy paths provide a qualitative electronic-structure reference for the observed basin connectivity. State-resolved kinetics reveal picosecond water-exchange pathways that couple hydration changes to transient DOTA arm fluctuations, and training-set comparisons show that temperature-matched Ac–DOTA data optimize energy/force accuracy while more diverse solvated data improve charge prediction. Overall, the present hybrid ML/MM model provides a practical description of Ac 3+ –DOTA hydration thermodynamics and short-time exchange behavior in explicit water at MD-like cost.

Actinium↗

Real-time Optimal Dispatch of Behind-the-Meter DERs for Secondary Frequency Regulation

Active distribution networks (ADNs) can provide grid services such as peak load shaving, loss reduction, VoltNar control, congestion management, and frequency regulation. The fast response of inverter-based distributed energy resources (DERs) and battery storage systems enables them to provide ramping support and frequency control. This paper proposes a real-time optimization approach for behind-the-meter DERs to participate in the secondary frequency regulation. The proposed approach determines optimal set-points of output power of DERs to respond to requests from system operators (SOs) in realtime to maintain the frequency of the system at the nominal value. To satisfy the real-time requirement for the secondary frequency control, the nonlinear AC power flow model is linearized considering power losses in the system to achieve both high computational speed and acceptable accuracy. The optimization problem is rerun in a closed loop manner until the mismatch between the requested power by the system operators and actual delivered power at the substation reaches an acceptable tolerance. Furthermore, the proposed approach is validated using modified versions of the IEEE 33-bus and IEEE 69-bus distribution systems. Although the contribution of a single distribution system in the frequency regulation may not be significant, stacked and coordinated contributions from several distribution systems can provide frequency regulation and other grid services at scale.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High- and Mid-Fidelity Modeling Comparison for a Floating Marine Turbine System: Preprint

There is a lack of suitable numerical tools, particularly open-source tools, that can be used for designing and optimizing marine turbine systems. The National Renewable Energy Laboratory (NREL) has added features to their widely used mid-fidelity wind turbine modeling code, OpenFAST, to enable modeling of axial flow marine turbines. This necessitated the addition of several physical effects relevant to marine turbines that can be neglected for wind turbines. These include buoyant loads, added mass and inertia loads, wave-current superposition, and changes to the coordinate systems. This updated version of OpenFAST allows for the modeling of both fixed and floating marine turbine systems at a speed comparable to real time. While efficient for long simulations, large sets of load cases, and design studies, mid-fidelity codes cannot capture all of the potentially important physical phenomenon impacting marine turbine systems. High-fidelity computational fluid dynamics (CFD) simulations can capture more flow effects with fewer assumptions and provide detailed body pressure mapping and flow-field information. It is important to compare predictions between mid-fidelity and high-fidelity codes, both to verify the models and to understand the limitations. A floating marine turbine system designed by NREL was modeled both with OpenFAST and with the commercial CFD code, STARCCM+. The CFD model used a 3-D unsteady Reynolds-averaged Navier-Stokes solver for a volume-of-fluid numerical wave and current tank. The blade-resolved simulations used the sliding-interface technique for the spinning rotor and an overset grid to accommodate the rigid-body motion of the floating system. The mooring system was modelled with a custom coupling of the CFD solver with the open-source code, MoorDyn. This improves upon the existing quasi-static catenary solver in STARCCM+, which lacks seabed contact or line-to-line connections. Spatial and temporal convergence studies were conducted. The simulation results for a combined current and wave condition are compared between OpenFAST and CFD, highlighting the capabilities of the mid-fidelity code and identifying the areas where a high-fidelity approach is needed.

CFD↗

SU-G-JeP1-10: Feasibility of CyberKnife Tracking Using the Previously-Implanted Permanent Brachytherapy Seed Cloud

Purpose: Robotic radiosurgery is a salvage treatment option for patients with recurrent prostate cancer. We explored the feasibility of tracking the bolus of permanent prostate implants (PPI) using image recognition software optimized to track spinal anatomy. Methods: Forty-five inert iodine seeds were implanted into a gelatin-based prostate phantom. Four superficial gold seeds were inserted to provide ground-truth alignment. A CT scan of the phantom (120 kVp, 1 mm slice thickness) was acquired and a single-energy iterative metal artifact reduction (MAR) algorithm was used to enhance the quality of the DRR used for tracking. CyberKnife treatment plans were generated from the MAR CT and regular CT (no-MAR) using spine tracking. The spine-tracking grid was centered on the bolus of seeds and resized to encompass the full seed cloud. A third plan was created from the regular CT scan, using fiducial tracking based on the 4 superficial gold seeds with identical align-center coordinates. The phantom was initially aligned using the fiducial-tracking plan. Then the MAR and no-MAR spine-tracking plans were loaded without moving the phantom. Differences in couch correction parameters were recorded in the case of perfect alignment and after the application of known rotations and translations (roll/pitch of 2 degrees; translations XYZ of 2 cm). Results: The spine tracking software was able to lock on to the bolus of seeds and provide couch corrections both in the MAR and no-MAR plans. In all cases, differences in the couch correction parameters from fiducial alignment were <0.5 mm in translations and <1 degree in rotations. Conclusion: We were able to successfully track the bolus of seeds with the spine-tracking grid in phantom experiments. For clinical applications, further investigation and developments to adapt the spine-tracking algorithm to optimize for PPI seed cloud tracking is needed to provide reliable tracking in patients. One of the authors (MD) has received research support and speaker honoraria from Accuray.

60 APPLIED LIFE SCIENCES↗

Effect of the Precursor Chemistry on the Crystallization of Triple Cation Mixed Halide Perovskites

Triple cation, mixed halide perovskite compositions have been reported to be more thermally stable, exhibit fewer phase impurities, and show higher power conversion efficiency and better reproducibility than single cation perovskites. In this work, we explain the formation of Cs0.05FA0.81MA0.14Pb(I0.85Br0.15)3 via a multimodal in situ study combining structural information from synchrotron grazing-incidence wide-angle X-ray scattering (GIWAXS) and optical properties from photoluminescence (PL) spectroscopy with density functional theory calculations (DFT). The focus here is on the effects of the solvent and antisolvent during crystallization. The predominantly used solvents N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), and the antisolvent chlorobenzene (CB) as well as the solvent-antisolvent-precursor interactions are investigated. Given the high elemental complexity and mutual interdependencies between solvent, antisolvent, and perovskite precursors, we found significant differences in the crystallization pathways. DMF-pure precursors show the formation of the DMF-containing intermediate phase and the nucleation of compositionally distinct perovskite phases, while when DMSO is added, only crystalline α- and δ-phases were found. In addition, the presence of DMSO helps the formation of α-perovskite. Coordination energy and bond order (BO) calculations support our experimental findings. Dripping of CB induces nucleation at room temperature, slows the α-phase formation rate, and appears to reduce the nucleation radius. These findings provide novel insights into solvent, antisolvent, and perovskite precursor interactions and their formation pathways. The complexity of interactions between solvents and reagents highlights the importance of understanding these effects to further improve the reproducibility and optimize processing conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Monitoring the Stability of Porous Coordination Cages during the Photoreduction of Porous Salt Thin Films

This study investigates the photochemical properties and stability of zirconium-based porous salts composed of coordination cages and redox-active polyoxometalates (POMs). While bulk porous salts demonstrated photoreduction confined to surface regions due to lim-ited light penetration and scattering effects, thin films of cage-POM assemblies were fabricated to address these challenges. These optically transparent films allowed access to the catalyst core, enabling enhanced photochemical characterization. Comparative studies revealed that the thin films exhibited superior photochemical activity and maintained porosity under optimized conditions, whereas bulk powders suffered from surface-limited photoreduction and cage decomposition. Furthermore, this work highlights the utility of thin films as a platform for studying and advancing the photochemical applications of porous salts.

Hoq, Jahidul [Indiana University, Bloomington, IN ↗

Pt-Ligand single-atom catalysts: tuning activity by oxide support defect density

The support–metal interaction is an important element of heterogeneous catalyst design and is particularly critical for the rapidly growing field of single-atom catalysts (SACs). In this work, we investigate the impact of varying the defect density of the titania support on metal–organic Pt SACs for hydrosilylation reactions. Pt SACs are decorated on the powder titania support, employing a metal–ligand interaction with a dipyridyl-tetrazine ligand (DPTZ). The single-atom nature of Pt is verified by X-ray absorption spectroscopy (XAS) on both pristine and defective titania surfaces. These Pt species have a +2 oxidation state and are stabilized by bonding with DPTZ, surface oxygen, and residual chloride from the metal precursor. The catalytic activity is evaluated for the alkene hydrosilylation reaction and it is discovered that the activity of Pt-ligand is positively correlated with the defect density of the titania support. The turn-over number (TON) is calculated to be 12 530 for Pt SACs on a defective surface, which is significantly higher than Pt SACs on a pristine titania surface (830) for the same reaction period (10 min) under the same conditions (70 °C). We ascribe the high activity of Pt SACs on defective titania surfaces to two aspects: the coordination of Pt with more chloride than on pristine titania surfaces, which shortens the induction period of the reaction, and the preferential dispersion of Pt–DPTZ units on defective regions of titania surfaces, allowing facile contact between Pt sites and reactants. The supported Pt–DPTZ SACs show high stability through multiple cycles of batch reactions. This work demonstrates an efficient approach to improve the activity and stability of SACs by optimizing the metal–support interaction, which can also be applied to other oxide surfaces to further develop next-generation heterogeneous single-atom catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Re-appraisal and extension of the Gratton-Vargas two-dimensional analytical snowplow model of plasma focus evolution in the context of contemporary research

Recent resurgence of interest in applications of dense plasma focus and doubts about the conventional view of dense plasma focus as a purely irrotational compressive flow have re-opened questions concerning device optimization. In this context, this paper re-appraises and extends the analytical snowplow model of plasma focus sheath evolution developed by F. Gratton and J. M. Vargas [Energy Storage, Compression and Switching, edited by V. Nardi, H. Sahlin, and W. H. Bostick (Plenum, New York, 1983), Vol. 2, p. 353)] and shows its relevance to contemporary research. The Gratton-Vargas (GV) model enables construction of a special orthogonal coordinate system in which the plasma flow problem can be simplified and a model of sheath structure can be formulated. The Lawrenceville Plasma Physics (LPP) plasma focus facility, which reports neutron yield better than global scaling law, is shown to be operating closer to an optimum operating point of the GV model as compared with PF-1000.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SNIa detection in the SNLS photometric analysis using Morphological Component Analysis

Detection of supernovae (SNe) and, more generally, of transient events in large surveys can provide numerous false detections. In the case of a deferred processing of survey images, this implies reconstructing complete light curves for all detections, requiring sizable processing time and resources. Optimizing the detection of transient events is thus an important issue for both present and future surveys. We present here the optimization done in the SuperNova Legacy Survey (SNLS) for the 5-year data deferred photometric analysis. In this analysis, detections are derived from stacks of subtracted images with one stack per lunation. The 3-year analysis provided 300,000 detections dominated by signals of bright objects that were not perfectly subtracted. Allowing these artifacts to be detected leads not only to a waste of resources but also to possible signal coordinate contamination. We developed a subtracted image stack treatment to reduce the number of non SN-like events using morphological component analysis. This technique exploits the morphological diversity of objects to be detected to extract the signal of interest. At the level of our subtraction stacks, SN-like events are rather circular objects while most spurious detections exhibit different shapes. A two-step procedure was necessary to have a proper evaluation of the noise in the subtracted image stacks and thus a reliable signal extraction. We also set up a new detection strategy to obtain coordinates with good resolution for the extracted signal. SNIa Monte-Carlo (MC) generated images were used to study detection efficiency and coordinate resolution. When tested on SNLS 3-year data this procedure decreases the number of detections by a factor of two, while losing only 10% of SN-like events, almost all faint ones. MC results show that SNIa detection efficiency is equivalent to that of the original method for bright events, while the coordinate resolution is improved.

79 ASTRONOMY AND ASTROPHYSICS↗

Coordinated Control Strategy of a Battery Energy Storage System to Support a Wind Power Plant Providing Multi-Timescale Frequency Ancillary Services

With increasing penetrations of wind generation on electric grids, wind power plants (WPPs) are encouraged to provide frequency ancillary services (FAS); however, it is a challenge to ensure that variable wind generation can reliably provide these ancillary services. This paper proposes using a battery energy storage system (BESS) to ensure the WPPs' commitment to FAS. This method also focuses on reducing the BESS's size and extending its lifetime. In this paper, a state-machine-based coordinated control strategy is developed to utilize a BESS to support the obliged FAS of a WPP (including both primary and secondary frequency control). This method takes into account the operational constraints of the WPP (e.g., real-time reserve) and the BESS (e.g., state of charge [SOC], charge and discharge rate) to provide reliable FAS. Meanwhile, an adaptive SOC-feedback control is designed to maintain SOC at the optimal value as much as possible and thus reduce the size and extend the lifetime of the BESS. In conclusion, the effectiveness of the control strategy is validated with an innovative, multi-area, interconnected power system simulation platform that can mimic realistic power systems operation and control by simulating real-time economic dispatch, regulating reserve scheduling, multi-area automatic generation control, and generators' dynamic response.

25 ENERGY STORAGE↗

Agent-Based Coordination Scheme for PV Integration (ABC4PV)

Renewables and especially photovoltaics (PV) have benefitted significantly from a host of incentives and policies targeted toward enhanced integration and adoption of specific energy technologies. However, with the push to move forward into a subsidy-free market framework, behind-the-meter residential PV applications have generally struggled to retain their value (unlike utility scale and commercial projects) [1]. This project focused on developing control-theoretic solutions aimed at improving the integration and interaction of behind-the-meter residential PV with other distribution system assets (controllable and non-controllable) to enhance the integrated value of residential PV. To this end, a suite of decentralized control methodologies have been developed to enable effective coordination and control of behind-the-meter residential load customers’ PV, battery storage systems (BSS), controllable loads and other similar assets within a distribution feeder. This interaction aims at procuring energy savings and, thus, energy bill savings. The main source of savings is drawn from reducing the effect of demand charge pricing and is realized at the feeder level, assuming community level interaction and management among the aforementioned assets. Optimal control of the assets is implemented with a distributed optimization methodology, leveraging consensus-based algorithms. The results gathered from the optimal control simulations demonstrates that the savings can be duly achieved and the algorithm decision times (to dynamically control asset set points, for example) are fast. As for the overall efficiency of PV+BSS systems, to procure energy savings from curtailment of the demand charge pricing effects, the optimal control is set up so as to minimize the variance of the load for all customers, throughout a feeder and throughout time in a rolling horizon scheduling with model predictive control. The control takes into account inter-temporal electrochemical storage (battery) degradation costs: specifically, we have developed a long-term lifetime model for the BSS that weighs in the effect of the degradation factor in the dispatch formulations, thus, a considerable operating cost that affects energy decision making. The levelized cost of energy (LCOE – redefined for the purpose of quantifying asset integration effectiveness through the customers’ energy cost) is shown to be below the threshold set for the combined PV+BSS topology of $ 0.14/kWh for multiple cases of PV penetration all the way up to 50%, provided that a policy of shared ownership of and savings is in place. Further, the LCOE calculated for the case before the deployment PV+BSS systems is also achievable, i.e. the deployment of PV+BSS, if planned and scheduled optimally. will have no effect on customers’ energy costs. From the control methodology viewpoint, the developed consensus-based algorithms are shown to converge for a wide range of problem cases (spanning normal operating scenarios and contingencies), guaranteeing dispatch solutions under forecasting errors, communication break-downs and cyber-security attacks. The proposed control solutions are scalable and real-time implementable, with dispatch computations and device set-point updates converging in less than 2s in most practical instances of the above events.

14 SOLAR ENERGY↗

Hierarchical Distributed Voltage Regulation in Networked Autonomous Grids

We propose a novel algorithm to solve optimal power flow (OPF) that aims at dispatching controllable distributed energy resources (DERs) for voltage regulation at minimum cost. The proposed algorithm features unprecedented scalability to large distribution networks by utilizing an information structure based on networked autonomous grids (AGs). Specifically, each AG is a subtree of a large distribution network that has a tree topology. The topology and line parameters of each AG are known only to a regional coordinator (RC) that is responsible for communicating with and dispatching the DERs within this AG. The reduced network, where each AG is treated as a node, is managed by a central coordinator (CC), which knows the topology and line parameters of the reduced network only and communicates with all the RCs. We jointly explore this information structure and the structure of the linearized distribution power flow (LinDistFlow) model to derive a hierarchical, distributed implementation of the primal-dual gradient algorithm that solves the OPF. The proposed implementation significantly reduces the computation burden compared to the centrally coordinated implementation of the primal-dual algorithm. Numerical results on a 4,521-node test feeder show that the proposed hierarchical distributed algorithm can achieve an improvement of more than tenfold in the speed of convergence compared to the centrally coordinated primal-dual algorithm.

Zhou, Xinyang↗

Hierarchical Distributed Voltage Regulation in Networked Autonomous Grids: Preprint

We propose a novel algorithm to solve optimal power flow (OPF) that aims at dispatching controllable distributed energy resources (DERs) for voltage regulation at minimum cost. The proposed algorithm features unprecedented scalability to large distribution networks by utilizing an information structure based on networked autonomous grids (AGs). Specifically, each AG is a subtree of a large distribution network that has a tree topology. The topology and line parameters of each AG are known only to a regional coordinator (RC) that is responsible for communicating with and dispatching the DERs within this AG. The reduced network, where each AG is treated as a node, is managed by a central coordinator (CC), which knows the topology and line parameters of the reduced network only and communicates with all the RCs. We jointly explore this information structure and the structure of the linearized distribution power flow (LinDistFlow) model to derive a hierarchical, distributed implementation of the primal-dual gradient algorithm that solves OPF. The proposed implementation significantly reduces the computation burden compared to the centrally coordinated implementation of the primal-dual algorithm. Numerical results on a 4,521-node test feeder show that the proposed hierarchical distributed algorithm can achieve more than 10-fold improvement in the speed of convergence compared to the centrally coordinated primal-dual algorithm.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Hierarchical Distributed Voltage Regulation in Networked Autonomous Grids

We propose a novel algorithm to solve optimal power flow (OPF) that aims at dispatching controllable distributed energy resources (DERs) for voltage regulation at minimum cost. The proposed algorithm features unprecedented scalability to large distribution networks by utilizing an information structure based on networked autonomous grids (AGs). Specifically, each AG is a subtree of a large distribution network that has a tree topology. The topology and line parameters of each AG are known only to a regional coordinator (RC) that is responsible for communicating with and dispatching the DERs within this AG. The reduced network, where each AG is treated as a node, is managed by a central coordinator (CC), which knows the topology and line parameters of the reduced network only and communicates with all the RCs. We jointly explore this information structure and the structure of the linearized distribution power flow (LinDistFlow) model to derive a hierarchical, distributed implementation of the primal-dual gradient algorithm that solves the OPF. The proposed implementation significantly reduces the computation burden compared to the centrally coordinated implementation of the primal-dual algorithm. Numerical results on a 4,521-node test feeder show that the proposed hierarchical distributed algorithm can achieve an improvement of more than tenfold in the speed of convergence compared to the centrally coordinated primal-dual algorithm.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Machine Learning Models for Binary Molecular Classification using VUV Absorption Spectra

Machine learning methods were combined with differential absorption spectroscopy measurements in the vacuum-ultraviolet region (5.167 – 9.920 eV) in order to develop predictive capabilities for inferring molecular structure from the spectra. Several types of species were analyzed and, for modeling purposes, were defined using a single classification: (1) alkane, (2) conjugation with oxygen (e.g. diacetyl, ethyl vinyl ether), (3) non-conjugated alkene (e.g. 1-butene, 1,4-cyclohexadiene), (4) oxygen-containing (e.g. 1-butanol, tetrahydrofuran), or (5) cyclic (e.g. cyclopentane, cyclohexanone). The latter molecular classification excluded cyclic ethers. Several modeling methods were employed in the analysis of 102 absorption spectra, 24 of which were measured for the first time. The primary objective was to identify suitable methods that enable accurate predictions of molecular structure classifications with minimized statistical uncertainties. Rather than identifying a single, unifying method to reliably predict molecular structure contributions to VUV absorption spectra, coordination is required among a particular method, the type of molecular structure detail (e.g. conjugation), and absorption region of interest. The latter is accomplished using a binning approach, wherein absorption regions of ~0.5 eV were utilized rather than the entire ~4.8 eV range. Photon energy binning enabled analysis of region-specific predictions of accuracy, precision, and recall. The outcome from the binning approach is that, rather than utilizing the entire spectrum, optimal determination of molecular structure using machine learning methods depends on the absorption region. Furthermore, the present work provides separate machine learning models for each molecular classification, which enables the identification of multi-functional species relevant to atmospheric chemistry and combustion chemistry, where isomer-resolved speciation is critical to understanding complex reaction networks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transition-metal single atoms in nitrogen-doped graphenes as efficient active centers for water splitting: a theoretical study

Highly active single-atom catalysts (SACs) have recently been intensively studied for their potential in the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). Due to the existence of many such SAC systems, a general understanding of the trend and designing principle is necessary to discover an optimal SAC system. In this work, by using density functional theory (DFT), we investigated a series of late single transition metals (TM = Fe, Co, Ni, Cu, and Pd) anchored on various N doped graphenes (xN–TM, x = 1–4) as electrocatalysts for both the HER and OER. Solvent effects were taken into account using an implicit continuum model. Our results reveal that the catalytic activity of SACs is determined by the local coordination number of N and TM in the catalysts. Among the considered catalysts, a low-coordinated Co site, i.e. a triple-coordinated Co, exhibits a high catalytic activity toward the HER with a calculated hydrogen adsorption free energy of –0.01 eV, whereas a high-coordinated Co center, i.e. a quadruple-coordinated Co is a promising candidate for the OER with a low computed overpotential of –0.39 V, which are comparable to those of noble metal catalysts, indicating superior HER and OER performance of N–Co co-doped graphenes. The results shed light on the potential applications of TM and N co-doped graphenes as efficient single-atom bifunctional catalysts for water splitting, thereby functioning as promising candidates for hydrogen/oxygen production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Equitable Transactive Market Design to Coordinate Networked Microgrids with Mixed Ownership

This paper presents an inter-microgrid peer-topeer (P2P) transactive market mechanism to support the coordination of multiple microgrids in a mixed-ownership environment, while enabling prosumers to actively participate in the market to get their own benefits. An equitable P2P transactive energy market is designed, in which the energy burden to customers within microgrids is fairly distributed by leveraging a peer-to-peer communication network among MG owners and the distribution system operator (DSO). To reach the market settlement, a consensus-based distributed optimization algorithm is introduced to enable each MG owner and the DSO to distributedly determine the cleared price which is compensated by a household-income-based discount factor to encourage the energy-burden equity among customers in networked microgrids service territory. Numerical results on the modified 123 node test feeder including 6 microgrids are used to demonstrate the operation of the introduced equitable transactive energy market.

Vu, Thanh Long↗