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At least 793 records · Page 44

Warming of alpine tundra enhances belowground production and shifts community towards resource acquisition traits

Abstract Climate warming is expected to stimulate plant growth in high‐elevation and high‐latitude ecosystems, significantly increasing aboveground net primary production (ANPP). However, the effects of simultaneous changes in temperature, snowmelt timing, and summer water availability on total net primary production (NPP)—and elucidation of both above‐ and belowground responses—remain an important area in need of further study. In particular, measures of belowground net primary productivity (BNPP) are required to understand whether ANPP changes reflect changes in allocation or are indicative of a whole plant NPP response. Further, plant functional traits provide a key way to scale from the individual plant to the community level and provide insight into drivers of NPP responses to environmental change. We used infrared heaters to warm an alpine plant community at Niwot Ridge, Colorado, and applied supplemental water to compensate for soil water loss induced by warming. We measured ANPP, BNPP, and leaf and root functional traits across treatments after 5 yr of continuous warming. Community‐level ANPP and total NPP (ANPP + BNPP) did not respond to heating or watering, but BNPP increased in response to heating. Heating decreased community‐level leaf dry matter content and increased total root length, indicating a shift in strategy from resource conservation to acquisition in response to warming. Water use efficiency (WUE) decreased with heating, suggesting alleviation of moisture constraints that may have enabled the plant community to increase productivity. Heating may have decreased WUE by melting snow earlier and creating more days early in the growing season with adequate soil moisture, but stimulated dry mass investment in roots as soils dried down later in the growing season. Overall, this study highlights how ANPP and BNPP responses to climate change can diverge, and encourages a closer examination of belowground processes, especially in alpine systems, where the majority of NPP occurs belowground.

54 ENVIRONMENTAL SCIENCES↗

Effective direct steam regeneration of bis-iminoguanidine solid sorbent used for carbon dioxide capture

A cost-effective, energy-efficient sorbent regeneration process for phase-changing guanidines used for CO 2 capture was developed based on direct-steam stripping. This approach enhances the regeneration rate, simplifies the overall CO 2 capture process, and reduces the energy cost compared to conventional conductive thermal regeneration. A direct-steam sorbent regeneration reactor was developed, demonstrating that aqueous bis(iminoguanidines) (BIG) sorbents, e.g., methylglyoxal-bis(iminoguanidine) (MGBIG) and glyoxal-bis(iminoguanidine) (GBIG), could be efficiently regenerated with up to ~ 99 % CO 2 recovery through direct-steam stripping. Using low-temperature steam at 100 °C, a 4.5 times faster regeneration rate for GBIG carbonate sorbent (e.g., 30 min for 10 g) was demonstrated compared to conductive-heating (e.g., 135 min for 10 g) at 130 °C. Additionally, fully regenerated MGBIG converts into an aqueous MGBIG solution when the steam condenses onto the sorbent surface. Condensed steam with the guanidine can be easily recycled as an aqueous solution into the gas–liquid contactor to achieve a continuous-flow CO 2 -capture process. Molecular dynamics simulation was employed to provide a better understanding of the process. Higher heat transfer rates from steam to guanidine carbonate, compared to air heating, were attributed to the vibration resonance of water molecules within MGBIG with that of vapor molecules and the effective transfer of kinetic energy from vapor to solid. Technoeconomic analysis demonstrated that direct-steam stripping significantly decreases the CO 2 capture cost by 50 % compared to traditional conductive heating methods. Further, enhanced mass transfer facilitated by low-temperature steam and subsequent condensation effectively heats up the H 2 O-containing BIG-carbonate crystals, facilitating the desorption of CO 2 from the solid crystals, thereby leading to fast, effective, and energy-efficient sorbent regeneration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pushing Lithium–Sulfur Batteries towards Practical Working Conditions through a Cathode–Electrolyte Synergy

The commercialization of lithium-sulfur (Li-S) batteries is still hindered by the unsatisfactory cell performance under practical working conditions, which is mainly caused by the sluggish cathode redox kinetics, severe polysulfide shuttling, and poor Li striping/platting reversibility. We reported an effective strategy by combining Se-doped S hosted in an ordered macroporous framework with highly fluorinated ether (HFE)-based electrolyte to simultaneously address the aforementioned issues in both cathode and anode. A reversible and stable high areal capacity of > 5.4 mAh cm -2 with high coulombic efficiency > 99.2% can be achieved under high areal Se/S loading (5.8 mg cm -2 ), while the underlying mechanism was further revealed through synchrotron X-ray probes and Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS). The practical application potential was further evaluated at low (0 °C) and high (55 °C) temperatures under high areal Se/S loading (> 5.0 mg cm -2 ) and thin Li metal (40 µm).

25 ENERGY STORAGE↗

Excellent antioxidizing, thermally insulating and flame resistance silica‐polybenzoxazine aerogels for aircraft ablative materials

Abstract High‐performance thermal protective composites with lightweight, micro‐ ablation and high‐efficient thermal insulation are urgently required for thermal protection systems in advanced hypersonic speed vehicles. However, the practical applications of thermal protective composites have long been hampered by the main issues such as low mass residual rate and poor long‐term antioxidation of the matrix in high‐temperature aerobic environments. Here, we report a novel silica‐polybenz oxazine (SiO 2 ‐PBO) aerogels with interpenetrated networks, possessing the ability to antioxidation, thermal insulation, and flame‐retardant properties. The resulting SiO 2 ‐PBO aerogels exhibit low density (0.25 g/cm 3 ), low thermal conductivity (0.035 W/(m·K)), and superior peak heat release rate value (15.3 W/g). Moreover, the mass residual rate is up to 70.46 wt% in the N 2 atmosphere and remains 57.83 wt% despite existing in the air atmosphere and experiencing the highest temperature of 800°C. Briefly, SiO 2 ‐PBO aerogels as‐prepared could be a potential matrix for a new gene ration of high‐performance thermal protective composites in the future.

Xiao, Yunyun↗

Enzymatic depolymerization of polyester: Foaming as a pretreatment to increase specific surface area

Abstract Poly(ethylene terephthalate) (PET) is widely used for its high strength‐to‐weight ratio, gas barrier properties, and chemical resistance. The growing PET use highlights the demand for a better recycling system. Enzymatic recycling, alongside mechanical and chemical methods, is eco‐friendly and yields properties similar to virgin PET. Substrate properties ( T g , crystallinity, and specific surface area [SSA]) and enzyme stability significantly impact conversion efficiency. Higher SSA and lower crystallinity tend to yield improved depolymerization when employing leaf compost‐cutinase (LCC‐ICCG) enzymes. This study explored melt extrusion and foaming as pretreatment techniques to modify PET structural properties, using a low‐cost chemical foaming agent (CFA). The monomer conversion rate and efficiency during depolymerization were measured and related to the processing, extrudate micro‐ and meso‐structure, and polyester type. Pretreated PET substrates showed reduced T g , crystallinity, density, and enhanced SSA, resulting in a 90% mass loss for foamed RPET and VPET substrates within 2 days. In contrast, PET with ~30% of cyclohexanedimethanol comonomer exhibited a nearly 50% lower depolymerization rate, with zero BHET production. It indicates that the combination of low crystallinity, low T g , and high SSA leads to improved monomer conversion. These findings emphasize the significance of amorphization and foaming in enhancing PET enzymatic depolymerization.

42 ENGINEERING↗

A Computational Information Criterion for Particle-Tracking with Sparse or Noisy Data

Traditional probabilistic methods for the simulation of advection-diffusion equations (ADEs) often overlook the entropic contribution of the discretization, e.g., the number of particles, within associated numerical methods. Many times, the gain in accuracy of a highly discretized numerical model is outweighed by its associated computational costs or the noise within the data. Herein, we address the question of how many particles are needed in a simulation to best approximate and estimate parameters in one-dimensional advective-diffusive transport. To do so, we use the well-known Akaike Information Criterion (AIC) and a recently-developed correction called the Computational Information Criterion (COMIC) to guide the model selection process. Random-walk and mass-transfer particle tracking methods are employed to solve the model equations at various levels of discretization. Numerical results demonstrate that the COMIC provides an optimal number of particles that can describe a more efficient model in terms of parameter estimation and model prediction compared to the model selected by the AIC even when the data is sparse or noisy, the sampling volume is not uniform throughout the physical domain, or the error distribution of the data is non-IID Gaussian.

97 MATHEMATICS AND COMPUTING↗

Machine learning surrogate of physics-based building-stock simulator for end-use load forecasting

Building energy models are used to simulate heat and mass transfer and estimate end-use load in buildings. With the proliferation of solar photovoltaics on residential and commercial buildings, increasingly, buildings are expected to provide grid services, for which accurate and computationally efficient building energy simulations and end-use load prediction are imperative. Existing building energy simulation tools, however, have significant computational overhead that make them less practical in real-time deployment for optimization, design, uncertainty quantification and control in building energy management systems. Here this article presents a data-driven machine learning model based on light gradient boosting method (LightGBM) as a surrogate for a physics-based simulator for residential buildings to predict end-use load. The machine learning based surrogate model accounts for time-series related variables, seasonality and trend component of end-use load, and history of end-use load. The accuracy of the surrogate model is assessed on the prediction of the load profiles of 100 different houses in Cook County, Illinois, USA. The LightGBM surrogate model is shown to reduce the root-mean-squared error by 53% relative to a reference decision tree (DT) based model reported previously in the literature. Moreover, the model predicts the load spikes and high-ramp rate events throughout the year which are often the Achilles heel of other models in the literature. The machine learning based surrogate model is demonstrated to be computationally efficient, with a ten-fold reduction in the computational time compared to a physics-based building energy simulation, and suitable for uncertainty analysis and real-time control of building characteristics in response to uncertainty.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Quasi-Two-Dimensional Earth-Abundant Bimetallic Electrocatalysts for Oxygen Evolution Reactions

The extremely large surface area offered by quasi-two-dimensional (2D) nanostructures is a great advantage for catalytic applications. While bimetallic materials have been discovered as a group of promising catalysts for electrochemical water splitting, a facile and reliable synthesis approach toward 2D morphology to fully release its electrochemical catalytic potential is still lacking. In this work, bimetallic Co–Mo–O ultrathin nanosheets were synthesized by ionic layer epitaxy with controlled composition ratio. The Co–Mo–O nanosheets exhibited a quadrangle shape with a uniform thickness of ~2.5 nm. This 2D morphology largely enriched the surface catalytic active site ratio. Particularly, nanosheets with 2:1 Co-to-Mo ratio showed a substantially enhanced OER catalytic activity with a 3 orders of magnitude higher mass activity compared to benchmark IrO 2 and RuO 2 in an alkaline environment. Furthermore, this study introduces a promising possibility for creating high-performance electrocatalysts from 2D bimetallic materials with a high efficiency for material utilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhanced Electrocatalytic Hydrogen Evolution Activity in Single-Atom Pt-Decorated VS 2 Nanosheets

Enhancing catalytic activity by decorating noble metals in catalysts provides an opportunity for promoting the electrocatalytic hydrogen evolution reaction (HER) application. However, there are few systematic studies on regulating the structures of noble metals in catalytic materials and investigating their influence on HER. Herein, Pt catalysts with different structures including single atoms (SAs), clusters, and nanoparticles well-controllably anchored on VS 2 nanosheets through a cost-effective optothermal method are reported, and their HER performance is studied. The most efficient Pt-decorated VS 2 catalyst (with both Pt SAs and clusters) delivers an overpotential of 77 mV at 10 mA cm –2 , close to that of Pt/C (48 mV). However, the optimal mass activity of Pt (normalizing to Pt content) is obtained from only SA Pt-decorated VS 2 (i.e., 22.88 A mg Pt –1 at 200 mV) and is 12 times greater than that of the Pt/C (1.87 A mg Pt –1 ), attributed to the greatly enhanced Pt utilization. Additionally, the theoretical simulations reveal that Pt SA decoration makes the adsorption free energy of H* closer to the thermoneutral value and improves the charge-transfer kinetics, significantly enhancing HER activity. Furthermore, this work offers a pathway to prepare the desired catalyst based on synergy of Pt structures and VS 2 and reveals the intrinsic mechanism for enhancing catalytic activity, which is important for HER applications.

36 MATERIALS SCIENCE↗

Modeling Time to Failure in Potential-Induced Degradation of Silicon Solar Modules based on Quantitative Sodium Kinetics

We present a physics-based simulation environment for the prediction of potential-induced-degradation (PID) failure time in silicon solar modules. Our model is based on experimental sodium migration kinetics obtained from our recently developed trap-corrected bias-stress-temperature method and from secondary ion mass spectrometry measurements. Furthermore, we model sodium migration to stacking faults and subsequent formation of conductive pathways through the p-n junction, which causes a decrease of the shunt resistance and loss of efficiency.

42 ENGINEERING↗

Spectral Equivalence of Low-Order Discretizations for High-Order H(curl) and H(div) Spaces

In this paper, we present spectral equivalence results for high-order tensor product edge- and face-based finite elements for the H(curl) and H(div) function spaces. Specifically, we show for certain choices of shape functions that the mass and stiffness matrices of the high-order elements are spectrally equivalent to those for an assembly of low-order elements on the associated Gauss--Lobatto--Legendre mesh. Based on this equivalence, efficient preconditioners can be designed with favorable computational complexity. Numerical results are presented which confirm the theory and demonstrate the benefits of the equivalence results for overlapping Schwarz preconditioners.

97 MATHEMATICS AND COMPUTING↗

Luminosity determination using Z boson production at the CMS experiment

The measurement of Z boson production is presented as a method to determine the integrated luminosity of CMS data sets. The analysis uses proton–proton collision data, recorded by the CMS experiment at the CERN LHC in 2017 at a center-of-mass energy of 13 TeV. Events with Z bosons decaying into a pair of muons are selected. The total number of Z bosons produced in a fiducial volume is determined, together with the identification efficiencies and correlations from the same data set, in small intervals of 20 pb –1 of integrated luminosity, thus facilitating the efficiency and rate measurement as a function of time and instantaneous luminosity. Using the ratio of the efficiency-corrected numbers of Z bosons, the precisely measured integrated luminosity of one data set is used to determine the luminosity of another. For the first time, a full quantitative uncertainty analysis of the use of Z bosons for the integrated luminosity measurement is performed. The uncertainty in the extrapolation between two data sets, recorded in 2017 at low and high instantaneous luminosity, is less than 0.5%. We show that the Z boson rate measurement constitutes a precise method, complementary to traditional methods, with the potential to improve the measurement of the integrated luminosity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effectiveness of Advanced Three Fluid Heat and Mass Exchanger

Advanced internally-cooled membraned-based heat and mass exchangers (HMX), which accounts for three separate fluid streams, are capable of utilizing the sensible and latent heat removed from spacecooling to heat water. The technology provides a unique approach of enhancing the efficiency and cost effectiveness of future HVAC equipment. This paper aims to numerically identify and understand the impact of geometric size, operation conditions, and membrane properties on the overall effectiveness of three-fluid HMXs. The simulations are based on an ORNL in-house open-source HMX model which is capable of simulating such three-fluid HMX components for various flow patterns. The results are expected to enable detailed configuration evaluation and provide in-depth understanding of optimal three-fluid HMX performance at cost effectiveness.

Gao, Zhiming↗

Carbonate Management to Enable Energy- and Carbon-Efficient CO 2 Electrolysis (Final Technical Report)

The rapid growth and plummeting cost of solar energy have spurred growing interest in using CO 2 electrolysis to produce chemicals and fuels as an alternative to conventional petrochemical processes. High-temperature (>800 °C) solid oxide electrolyzers that convert CO 2 into CO and O 2 have recently become commercially available. Low-temperature electrolysis cells offer the prospect of more convenient and flexible operation, which is critical for utilizing intermittent solar energy, and provide access to more valuable C 2+ products such as ethylene, ethanol, and propanol. Over the past 10 years, research in this area has yielded substantial progress in both fundamental understanding of the requisite electrocatalytic reactions and design of prototype devices. Leveraging insights from fuel cells and membrane water electrolyzers, researchers have developed electrolysis cells with gas diffusion electrodes (GDE) that have demonstrated high CO 2 electrolysis current densities (>100 mA cm –2 ) as well as promising selectivity and stability. Despite these advances, the energy efficiency (electrical energy-to-product) and carbon efficiency (CO 2 -to-product) of low-temperature CO 2 electrolysis remain far too low for large-scale deployment. A preponderance of evidence indicates that the principal source of efficiency losses is the rapid and thermodynamically favorable reaction of CO 2 with hydroxide (OH – ) to form carbonate (CO 3 2– ). Carbonate formation imposes steady-state electrolysis conditions that result in large voltage and CO 2 losses for all known (photo)electrochemical CO 2 cells. While much current research remains focused on CO 2 reduction catalyst design, this largely overlooked CO 3 2– problem presents a fundamental scientific barrier to creating a viable electrochemical option for converting solar energy into chemicals and fuels. The project pursues an integrated, multi-PI research effort that establishes a fundamental science of CO 3 2– management. PI Kanan and Co-PI Mani’s contribution to the project is to evaluate strategies to mitigate the CO 3 2– problem by changing the properties of the electrolyte and the environment in which CO 2 reduction catalysis takes place. Experimental studies showed that electrolytes composed of a high concentration of both CO 3 2– and HCO 3 – , which serve as moderately alkaline buffers, improved the cell voltage by compared to all-HCO 3 – electrolytes, but these buffered systems still show substantial CO 2 uptake that reduces pH over time. Computational studies developed a homogenized model of a CO 2 reduction catalyst layer that permits a low-cost exploration of the high-dimensional parameter space associated with catalyst layers on gas diffusion electrodes. The model was validated by accurately reproducing experimental data for the related but simpler reaction of CO reduction and then used to probe the effects of catalyst layer architecture on CO 2 reduction. Minimizing the size of catalyst and hydrophobic domains in the catalyst layer is predicted to mitigate CO 3 2– formation and thereby enable prolonged operation at elevated pH. In support of the CO 2 electrolysis studies, a new method for rapidly prototyping electrochemical cells was developed and validated. The method uses a combination of 3D printing and electroless plating to generate conductive cell components for evaluating new cell designs. The carbonate problem encompasses mass transport processes and acid-base reactions that are relevant to many other electrochemical systems. Investigation of strategies to address the carbonate problem led to an additional line of inquiry into the physicochemical phenomena that determine the efficiency of electrochemical acid-base production, which has numerous applications in the broader field of carbon management. New strategies for using the supporting electrolyte to inhibit H + /OH – recombination in electrochemical acid-base production were evaluated, leading to the development of a novel acid-base producing system that eliminates the need for ion exchange membranes and exhibits promising efficiency and current densities for scalable applications.

25 ENERGY STORAGE↗

Efficient Computation of Doppler-Broadened Elastic Scattering Kernel Moments Using Ladder-Operator Formulation

Anefficient routine for computing Legendre moments of the Doppler-broadened elastic scattering kernel, including resonance scattering effects, has been implemented in the ISOXML module of Griffin. Isotropic scattering in the center-of-mass system and the ideal gas model for target motion are assumed. A ladder-operator formulation is introduced to compute all Legendre moments from order 0 to N simultaneously, enabling near-linear scaling of computational cost with respect to the maximum Legendre order. A physics-based strategy for constructing outgoing energy grids has also been developed, in which a tailored base grid is combined with adaptive refinement to maintain accuracy while limiting the number of outgoing energy points. For energies between resonances, a constant cross-section model is employed to further reduce computational cost. In addition, a quantitative criterion is derived to determine isotope-wise cut-off incident energies based on a prescribed up-scattering probability coverage. For 238U, up to incident energies of approximately 75, 230, and 661 eV at 294, 900, and 2500 K (corresponding to a 2% up-scattering probability threshold), computation of P0 kernels requires 1–8 s and computation of P0–P5 kernels requires 0.4–4 min using a single thread, while maintaining 1–3% relative error in up-scattering probability. These results demonstrate that the proposed formulation enables accurate and computationally practical Doppler-broadened kernel generation for online multigroup cross-section production in Griffin.

Doppler-broadening↗

Identification and characterization of deep nitrogen acceptors in β-Ga 2 O 3 using defect spectroscopies

The ability to achieve highly resistive beta-phase gallium oxide (β-Ga 2 O 3 ) layers and substrates is critical for β-Ga 2 O 3 high voltage and RF devices. To date, the most common approach involves doping with iron (Fe), which generates a moderately deep acceptor-like defect state located at E C -0.8 eV in the β-Ga 2 O 3 bandgap. Recently, there has been growing interest in alternative acceptors, such as magnesium (Mg) and nitrogen (N), due to their predicted deeper energy levels, which could avoid inadvertent charge modulation during device operation. In this work, a systematic study that makes direct correlations between the introduction of N using ion implantation and the observation of a newly observed deep level at E C -2.9 eV detected by deep-level optical spectroscopy (DLOS) is presented. The concentration of this state displayed a monotonic dependence with N concentration over a range of implant conditions, as confirmed by secondary ion mass spectrometry (SIMS). With a near 1:1 match in absolute N and E C -2.9 eV trap concentrations from SIMS and DLOS, respectively, which also matched the measured removal of free electrons from capacitance-voltage studies, this indicates that N contributes a very efficiently incorporated compensating defect. Density functional theory calculations confirm the assignment of this state to be an N (0/-1) acceptor with a configuration of N occupying the oxygen site III [N O(III) ]. The near ideal efficiency for this state to compensate free electrons and its location toward the midgap region of the β-Ga 2 O 3 bandgap demonstrates the potential of N doping as a promising approach for producing semi-insulating β-Ga 2 O 3 .

36 MATERIALS SCIENCE↗

J-PLUS: Uncovering a large population of extreme [OIII] emitters in the local Universe

Over the past decades, several studies have discovered a population of galaxies that undergo very strong star formation events. They are called extreme emission line galaxies (EELGs). We exploit the capabilities of the Javalambre Photometric Local Universe Survey (J-PLUS), a wide-field multifilter survey, with which 2000 square degrees of the northern sky are already observed. We use it to identify EELGs at low redshift by their [OIII]5007 emission line. We intend to provide a more complete, deep, and less biased sample of local EELGs. We selected objects with an excess of flux in the J-PLUS medium-band J0515 filter, which covers the [OIII] line at z < 0.06. We removed contaminants (stars and higher-redshift systems) using J-PLUS and WISE infrared photometry, with SDSS spectra as a benchmark. We performed spectral energy distribution fitting to estimate the physical properties of the galaxies: line fluxes, equivalent widths (EWs), masses, stellar population ages, and so on. We identify 466 EELGs at z < 0.06 with [OIII] EW over 300 Å and an r-band magnitude below 20, of which 411 were previously unknown. Most show compact morphologies, low stellar masses (log(M • /M ⊙ ) ~ 8.13 –0.58 +0.61 ), low dust extinction (E( B–V ) ~ 0.1 –0.1 +0.2 ), and very young bursts of star formation (3.0 –2.0 +2.7 Myr). Our method is up to ~20 times more efficient in detecting EELGs per Mpc 3 than broadband surveys, and it is as complete as magnitude-limited spectroscopic surveys (but reaches fainter objects). The sample is not directly biased against strong Hα emitters, in contrast with works using broadband surveys. We demonstrate that J-PLUS can identify a large sample of previously unknown EELGs showing unique properties following a clear selection process. A fraction of the EELGs are probably similar to the first galaxies in the Universe, but they are at a much lower redshift, which makes them ideal targets for follow-up studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Micropatterning of alumina tubular membranes via laser carving for enhanced direct air capture

An approach for preparing and applying micropatterned alumina tubular membranes was developed for improved gas-liquid contact at low air pressure drop in direct air capture application. The paper demonstrated that the laser carving of micropatterns on the outer surface of the alumina tubular membranes could greatly increase their outer surface area and enhance gas-liquid turbulence for a reduced diffusion mass transfer resistance. Six kinds of micropattern configurations were fabricated and studied, including random and regular micropatterns. By introducing a 500-μm solid grid micropattern, the outer surface area doubles and enhances carbon dioxide capture efficiency from 61% to 97% after the membrane was hydrophobically modified with fluoroalkylsilane. Here, the air pressure drop through the tube lumen remained low even when the packing density increased from 382 to 906 m 2 /m 3 . The liquid entry pressure of this micropatterned membrane was the same after testing for 220 h running with the help of periodic drying.

20 FOSSIL-FUELED POWER PLANTS↗