Heat capacity, which directly relates to free energy changes and thermal transport, is fundamental to modern engineering design. Even though current computational technology provides a detailed picture of atomic vibrations, the Debye and Dulong-Petit models are still widely utilized despite being prone to lower accuracy. Modern considerations of vibrational states, anharmonicity, electronic carriers, and phase transformations could improve estimates. Herein, the physics-based vibrational + dilation + electronic (VDE) model incorporates a user-provided phonon density of states, a phonon pressure-based dilation term, and an electronic component. Phonon density of states from analytical, machine-learned, and first-principles methods are compared, thus highlighting the advantages of machine-learned technology. Heat capacity estimates for 38 diverse materials are often within 5% of experimental values between 200 and 600 K. Detailed temperature-dependent investigations are carried out for several materials, including , ZIF-8, , polyvinyl chloride (PVC), and amorphous silicon. Se is modeled through its phase transition, which further demonstrates the model's capabilities to enable engineering design and sophisticated analysis.

The low density of deep trapping defects in metal halide perovskites (MHPs) is essential for high-performance optoelectronic devices. Shallow traps in MHPs are speculated to enhance charges recombination lifetime. However, it is unknown about the shallow trap chemical nature and distribution, and impact on solar cell operation. Herein, we report that shallow traps are much richer in MHPs than traditional semiconductors. Their density can be enhanced by >100 times through local surface strain, indicating shallow traps mainly located at the surface. The surface strain is introduced by anchoring two-amine-terminated molecules onto formamidinium cations, and the shallow traps are formed by the band edge downshifting toward defect levels. The high-density shallow traps temporarily hold one type of charges and increased concentration of the other type of free carrier in working solar cells by keeping photogenerated charges from bimolecular recombination, resulting in reduced open circuit voltage loss to 317 mV.

Heat pumps are an energy-efficient and increasingly cost-effective solution for reducing greenhouse gas emissions in the building sector. However, other clean energy technologies, such as rooftop solar, are less likely to be adopted in underserved communities, and thus policies incentivizing their adoption may funnel support to well-resourced communities. Unlike previously studied technologies, the effects of heat pumps on household energy bills may be positive or negative depending on local climate, energy costs, building features, and other factors. Here, we propose a framework for assessing heat pump inequities across the US. We find that households in communities of color and with higher percentages of renters are less likely to use heat pumps across the board. Moreover, communities of color are least likely to use heat pumps in regions where they are most likely to reduce energy bills. Public policies must address these inequities to advance beneficial electrification and energy justice.

The challenge in optimizing biohybrid photoelectrodes lies in identifying kinetic bottleneck and energy loss of photoinduced electron transfer. In this issue of , Friebe's group describes a method for synchronized spectroscopic and electrochemical measurements of biophotoelectrode , which indicates the electron transfer bottleneck steps and the energy loss processes.

High capacity polymer dielectrics that operate with high efficiencies under harsh electrification conditions are essential components for advanced electronics and power systems. It is, however, fundamentally challenging to design polymer dielectrics that can reliably withstand demanding temperatures and electric fields, which necessitate the balance of key electronic, electrical and thermal parameters. Herein, we demonstrate that polysulfates, synthesized by sulfur(VI) fluoride exchange (SuFEx) catalysis, another near-perfect click chemistry reaction, serve as high-performing dielectric polymers that overcome such bottlenecks. Free-standing polysulfate thin films from convenient solution processes exhibit superior insulating properties and dielectric stability at elevated temperatures, which are further enhanced when ultrathin (~5 nm) oxide coatings are deposited by atomic layer deposition. The corresponding electrostatic film capacitors display high breakdown strength (>700 MV m) and discharged energy density of 8.64 J cm at 150 °C, outperforming state-of-the-art free-standing capacitor films based on commercial and synthetic dielectric polymers and nanocomposites.

In recent years, elastocaloric cooling has shown great potential as an alternative to vapor-compression refrigeration. However, there is still no existing elastocaloric device that offers fatigue-resistant operation and yet high cooling/heat-pumping performance. Here, we introduce a new design of an elastocaloric regenerator based on compression-loaded Ni-Ti tubes, referred to as a shell-and-tube-like elastocaloric regenerator. Our regenerator design, which can operate in both cooling and heat-pumping modes, enables durable operation and record performance with a maximum temperature span of 31.3 K in heat-pumping mode or maximum heating/cooling powers of more than 60 W, equivalent to 4,400 W/kg of the elastocaloric material (at temperature span of 10 K). In terms of both maximum performance metrics, these results surpass all previously developed caloric (magnetocaloric, electrocaloric, and elastocaloric) devices and demonstrate the enormous potential of compression-loaded elastocaloric regenerators to be used in elastocaloric devices for a wide range of cooling and heat-pumping applications.

Ammonia is a large-scale commodity essential to fertilizer production, but the Haber-Bosch process leads to massive emissions of carbon dioxide. Electrochemical ammonia synthesis is an attractive alternative pathway, but the process is still limited by low ammonia production rate and faradaic efficiency. Herein, guided by our theoretical model, we present a highly efficient lithium-mediated process enabled by using different lithium salts, leading to the formation of a uniform solid-electrolyte interphase (SEI) layer on a porous copper electrode. The uniform lithium-fluoride-enriched SEI layer provides an ammonia production rate of 2.5 ± 0.1 μmol s cm at a current density of -1 A cm with 71% ± 3% faradaic efficiency under 20 bar nitrogen. Experimental X-ray analysis reveals that the lithium tetrafluoroborate electrolyte induces the formation of a compact and uniform SEI layer, which facilitates homogeneous lithium plating, suppresses the undesired hydrogen evolution as well as electrolyte decomposition, and enhances the nitrogen reduction.

Developing solar technologies for producing carbon-neutral aviation fuels has become a global energy challenge, but their readiness level has largely been limited to laboratory-scale studies. Here, we report on the experimental demonstration of a fully integrated thermochemical production chain from HO and CO to kerosene using concentrated solar energy in a solar tower configuration. The co-splitting of HO and CO was performed via a ceria-based thermochemical redox cycle to produce a tailored mixture of H and CO (syngas) with full selectivity, which was further processed to kerosene. The 50-kW solar reactor consisted of a cavity-receiver containing a reticulated porous structure directly exposed to a mean solar flux concentration of 2,500 suns. A solar-to-syngas energy conversion efficiency of 4.1% was achieved without applying heat recovery. This solar tower fuel plant was operated with a setup relevant to industrial implementation, setting a technological milestone toward the production of sustainable aviation fuels.

The authors designed and executed the integrated assessment modeling for the United States Long-Term Strategy. They bring diverse expertise to the modeling and analysis of United States decarbonization. Russell Horowitz, Matthew Binsted, and Haewon McJeon are scientists at the Joint Global Change Research Institute, a partnership between Pacific Northwest National Laboratory and the University of Maryland. Allen Fawcett, James McFarland, and Morgan Browning are economists at the Environmental Protection Agency's Climate Economics Branch. Claire Henly is White House Fellow at the Office of the U.S. Special Presidential Envoy for Climate. Nathan Hultman is the Director of the Center for Global Sustainability at the University of Maryland.

Disagreements persist on how to design a self-sufficient, carbon-neutral European energy system. To explore the diversity of design options, we develop a high-resolution model of the entire European energy system and produce 441 technically feasible system designs that are within 10% of the optimal economic cost. We show that a wide range of systems based on renewable energy are feasible, with no need to import energy from outside Europe. Model solutions reveal considerable flexibility in the choice and geographical distribution of new infrastructure across the continent. Balanced renewable energy supply can be achieved either with or without mechanisms such as biofuel use, curtailment, and expansion of the electricity network. Trade-offs emerge once specific preferences are imposed. Low biofuel use, for example, requires heat electrification and controlled vehicle charging. This exploration of the impact of preferences on system design options is vital to inform urgent, politically difficult decisions for eliminating fossil fuel imports and achieving European carbon neutrality.

Despite the promising properties of tin-based halide perovskites, one clear limitation is the fast Sn oxidation. Consequently, the preparation of long-lasting devices remains challenging. Here, we report a chemical engineering approach, based on adding Dipropylammonium iodide (DipI) together with a well-known reducing agent, sodium borohydride (NaBH), aimed at preventing the premature degradation of Sn-HPs. This strategy allows for obtaining efficiencies (PCE) above 10% with enhanced stability. The initial PCE remained unchanged upon 5 h in air (60% RH) at maximum-power-point (MPP). Remarkably, 96% of the initial PCE was kept after 1,300 h at MPP in N. To the best of our knowledge, these are the highest reported values for Sn-based solar cells. Our findings demonstrate a beneficial synergistic effect when additives are incorporated, highlight the important role of iodide in the performance upon light soaking, and, ultimately, unveil the relevance of controlling the halide chemistry for future improvement of Sn-based perovskite devices.

Thermoelectric modules are a promising approach to energy harvesting and efficient cooling. In addition to the longitudinal Seebeck effect, transverse devices utilizing the anomalous Nernst effect (ANE) have recently attracted interest. For high conversion efficiency, it is required that the material have a large ANE thermoelectric power and low electrical resistance, which lead to the conductivity of the ANE. ANE is usually explained in terms of intrinsic contributions from Berry curvature. Our observations suggest that extrinsic contributions also matter. Studying single-crystal manganese-bismuth (MnBi), we find a high ANE thermopower (∼10 μV/K) under 0.6 T at 80 K, and a transverse thermoelectric conductivity of over 40 A/Km. With insight from theoretical calculations, we attribute this large ANE predominantly to a new advective magnon contribution arising from magnon-electron spin-angular momentum transfer. We propose that introducing a large spin-orbit coupling into ferromagnetic materials may enhance the ANE through the extrinsic contribution of magnons.

A potential response to the COVID-19 pandemic in sub-Saharan Africa (SSA) with long-term benefits is to provide electricity for medical equipment in rural health centers and communities. This study identifies a large gap in the electrification of healthcare facilities in SSA, and it shows that decentralized photovoltaic systems can offer a clean, reliable, quick, and cost-effective solution. The cost of providing renewable electricity to each health facility by a stand-alone PV system is analyzed for a given location (incorporating operational costs). The upfront investment cost for providing electricity with PV to >50,000 facilities (mostly primary health posts) currently without electricity is estimated at EUR 484 million. Analysis of the accessibility and population distribution shows that 281 million people could reduce their travel time to healthcare facilities (by an average of 50 min) if all facilities were electrified.

John Deutch is an emeritus Institute Professor at the Massachusetts Institute of Technology where he has been a member of the faculty since 1970. He has served as Chairman of the Department of Chemistry, Dean of Science, and Provost. In the Carter Administration, he served as Director of Energy Research (1977-1979), Acting Assistant Secretary for Energy Technology (1979), and Undersecretary (1979-1980) in the U.S. Department of Energy. He has been a member of the President's Nuclear Safety Oversight Committee (1980- 1981), the White House Science Council (1985-1989), the President's Committee of Advisors on Science and Technology (1997-2001), and the Secretary of the Energy Advisory Board (2008-2016). John Deutch has published widely on technical and policy aspects of energy and the environment and has been a member of the board of directors or of the technical advisory committees of several energy companies.

The novel coronavirus disease (COVID-19) has rapidly spread around the globe in 2020, with the US becoming the epicenter of COVID-19 cases since late March. As the US begins to gradually resume economic activity, it is imperative for policymakers and power system operators to take a scientific approach to understanding and predicting the impact on the electricity sector. Here, we release a first-of-its-kind cross-domain open-access data hub, integrating data from across all existing US wholesale electricity markets with COVID-19 case, weather, mobile device location, and satellite imaging data. Leveraging cross-domain insights from public health and mobility data, we rigorously uncover a significant reduction in electricity consumption that is strongly correlated with the number of COVID-19 cases, degree of social distancing, and level of commercial activity.

Sevcan Erşan is a postdoctoral researcher at UCLA. Previously, she conducted postdoctoral research at the University of Hohenheim in Germany. She received her PhD in biotechnology from Yeditepe University, Turkey, and her bachelor's and master's degrees in food engineering from Istanbul Technical University, Turkey. She is experienced in waste utilization, bioprocessing technologies, and biological activities associated with phytochemicals. Her current research focuses on natural product chemistry and sustainable biotechnology. Junyoung Park is an assistant professor of Chemical and Biomolecular Engineering and co-director of the Metabolomics Center at UCLA. His research group focuses on systems-level analysis of metabolic networks to elucidate regulatory mechanisms and engineer metabolism. He aims to apply this knowledge to solving energy and environmental problems and curing human diseases such as cancer and diabetes. Before moving to Los Angeles, he conducted postdoctoral research at MIT. He received his bachelor's degrees in mathematics and bioengineering from UC San Diego and a master's and PhD in chemical engineering from Princeton University.

Ulrich Gallersdörfer is a research associate in the Department of Informatics at the Technical University of Munich. His research focuses on identity management in blockchains. His interest extends to further aspects of the technology, ranging from environmental implications to data analytics applications. Lena Klaaßen is a graduate student at TUM School of Management at the Technical University of Munich. She is specialized in energy markets and accounting. Her research focuses on carbon accounting in the corporate and cryptocurrency space. She has previously analyzed blockchain-related firms for a venture capital fund. Christian Stoll conducts research at the Center for Energy and Environmental Policy Research at the Massachusetts Institute of Technology and at the Center for Energy Markets of the Technical University of Munich. His research focuses on the implications of climate change from an economic point of view.

Alex Gilbert is a Project Manager at the Nuclear Innovation Alliance, where he oversees technical and regulatory work on commercializing advanced reactors. He is also a non-resident Fellow at the Payne Institute, where he conducts research on energy markets, climate policy, and outer space resources governance, and Adjunct Faculty at Johns Hopkins University. Alex has a Master of Energy Regulation and Law and Certificate in Climate Law from Vermont Law School and a BA in Environmental Studies and International Relations from Lake Forest College. Dr. Morgan Bazilian is the Director of the Payne Institute and a Professor of public policy at the Colorado School of Mines. Previously, he was lead energy specialist at the World Bank. He has over two decades of experience in the energy sector and is regarded as a leading expert in international affairs, policy, and investment. He is a Member of the Council on Foreign Relations. Dr. Bazilian has testified before the U.S. Senate and the Irish Oireachtas on issues of energy security.

The European potential for renewable electricity is sufficient to enable fully renewable supply on different scales, from self-sufficient, subnational regions to an interconnected continent. We not only show that a continental-scale system is the cheapest, but also that systems on the national scale and below are possible at cost penalties of 20% or less. Transmission is key to low cost, but it is not necessary to vastly expand the transmission system. When electricity is transmitted only to balance fluctuations, the transmission grid size is comparable to today's, albeit with expanded cross-border capacities. The largest differences across scales concern land use and thus social acceptance: in the continental system, generation capacity is concentrated on the European periphery, where the best resources are. Regional systems, in contrast, have more dispersed generation. The key trade-off is therefore not between geographic scale and cost, but between scale and the spatial distribution of required generation and transmission infrastructure.

Restrictions enacted to reduce the spreading of COVID-19 have resulted in notably clearer skies around the world. In this study, we confirm that reduced levels of air pollution correlate with unusually high levels of clear-sky insolation in Delhi, India. Restrictions here were announced on March 19, with the nation going into lockdown on March 24. Comparing insolation data before and after these dates with insolation from previous years (2017 to 2019), we observe an 8.3% ± 1.7% higher irradiance than usual in late March and a 5.9% ± 1.6% higher one in April, while we find no significant differences in values from previous years in February or early March. Using results from a previous study, we calculated the expected increase in insolation based on measured PM2.5 concentration levels. Measurements and calculations agree within confidence intervals, suggesting that reduced pollution levels are a major cause for the observed increase in insolation.

Metalloenzymes called nitrogenases (Nases) harness the reactivity of transition metals to reduce N to NH. Specifically, Nases feature a multimetallic active site, called a cofactor, which binds and reduces N. The seven Fe centers and one additional metal center (Mo, V, or Fe) that make up the cofactor are all potential substrate binding sites. Unraveling the mechanism by which the cofactor binds N and reduces N to NH represents a multifaceted challenge because cofactor activation is required for N binding and functionalization to NH. Despite decades of fascinating contributions, the nature of N binding to the active site and the structure of the activated cofactor remain unknown. Herein, we discuss the challenges associated with N reduction and how transition metal complexes facilitate N functionalization by coordinating N. We also review the activation and/or reaction mechanisms reported for small molecule catalysts and the Haber-Bosch catalyst and discuss their potential relevance to biological N fixation. Finally, we survey what is known about the mechanism of Nase and highlight recent X-ray crystallographic studies supporting Fe-S bond cleavage at the active site to generate reactive Fe centers as a potential, underexplored route for cofactor activation. We propose that structural rearrangements, beyond electron and proton transfers, are key in generating the catalytically active state(s) of the cofactor. Understanding the mechanism of activation will be key to understanding N binding and reduction.