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The search for high-temperature superconductivity among pressure-stabilized hydrides has received great interest since theory-directed clathrate hydrides, such as CaH6, YH6, YH9, and LaH10, were synthesized and shown to exhibit a superconducting critical temperature (Tc) above 200 K. However, further tuning the superconductivity and stability of these prominent hydrides to enhance their applicability remains a significant challenge. Here, we take the sodalite-like clathrate prototype MH6 (M = Ca, Y, etc.) as an example to investigate the stability and superconductivity of multicomponent metal hydrides containing four different metal atoms for each structure. High-throughput simulations of 1820 ABCDH24 quinary hydrides with initial symmetry of F4" 3m, where A, B, C, and D represent different metal atoms were performed. The calculations reveal 119 structures that are dynamically stable at 300 GPa and 67 structures exhibit superconductivity exceeding 200 K, and 20 are found to have Tcs above 260 K. Notable among these quinary alloy hydrides, (Na,Zr,Mg,Hf)H6 is predicted to have a Tc approaching room temperature at 250 GPa. Both configurational and vibrational entropy play important roles in stabilizing these alloy structures. (Na,Y,Zr,Hf)H6, (Mg,Zr,Sc,Y)H6, and (Mg,Hf,Ca,Zr)H6 were computed to be thermodynamically stable, making them promising candidates for experimental synthesis. These quinary superconducting hydrides may facilitate realization of very high-temperature superconductors that are stable over a broader range of conditions than those found for binary or ternary systems. 

Abstract. Methane (CH4) flux estimates from high-latitude North American wetlands remain highly uncertain in magnitude, seasonality, and spatial distribution. In this study, we evaluate a decade (2007–2017) of CH4 flux estimates by comparing 16 process-based models with atmospheric CH4 observations collected from in situ towers. We compare the Global Carbon Project (GCP) process-based models with a model inter-comparison from a decade earlier called The Wetland and Wetland CH4 Intercomparison of Models Project (WETCHIMP). Our analysis reveals that the GCP models have a much smaller inter-model uncertainty and have an average magnitude that is a factor of 1.5 smaller across Canada and Alaska. However, current GCP models likely overestimate wetland fluxes by a factor of two or more across Canada and Alaska based on tower-based atmospheric CH4 observations. The differences in flux magnitudes among GCP models are more likely driven by uncertainties in the amount of soil carbon or spatial extent of inundation than in temperature relationships, such as Q10 factors. The GCP models do not agree on the timing and amplitude of the seasonal cycle, and we find that models with a seasonal peak in July and August show the best agreement with atmospheric observations. Models that exhibit the best fit to atmospheric observation also have a similar spatial distribution; these models concentrate fluxes near Canada's Hudson Bay Lowlands. Current, state-of-the-art process-based models are much more consistent with atmospheric observations than models from a decade ago, but our analysis shows that there are still numerous opportunities for improvement. 

The recent theory-driven discovery of a class of clathrate hydrides (e.g., CaH₆, YH₆, YH₉, and LaH₁₀) with superconducting critical temperatures (T_c) well above 200 K has opened the prospects for “hot” superconductivity above room temperature under pressure. Recent efforts focus on the search for superconductors among ternary hydrides that accommodate more diverse material types and configurations compared to binary hydrides. Through extensive computational searches, we report the prediction of a unique class of thermodynamically stable clathrate hydrides structures consisting of two previously unreported H₂₄and H₃₀hydrogen clathrate cages at megabar pressures. Among these phases, LaSc₂H₂₄shows potential hot superconductivity at the thermodynamically stable pressure range of 167 to 300 GPa, with calculatedT_cs up to 331 K at 250 GPa and 316 K at 167 GPa when the important effects of anharmonicity are included. The very high critical temperatures are attributed to an unusually large hydrogen-derived density of states at the Fermi level arising from the newly reported peculiar H₃₀as well as H₂₄cages in the structure. Our predicted introduction of Sc in the La–H system is expected to facilitate future design and realization of hot superconductors in ternary clathrate superhydrides. 

ABSTRACT Using first-principles calculations and crystal structure search methods, we found that many covalently bonded molecules such as H2, N2, CO2, NH3, H2O and CH4 may react with NaCl, a prototype ionic solid, and form stable compounds under pressure while retaining their molecular structure. These molecules, despite whether they are homonuclear or heteronuclear, polar or non-polar, small or large, do not show strong chemical interactions with surrounding Na and Cl ions. In contrast, the most stable molecule among all examples, N2, is found to transform into cyclo-N5− anions while reacting with NaCl under high pressures. It provides a new route to synthesize pentazolates, which are promising green energy materials with high energy density. Our work demonstrates a unique and universal hybridization propensity of covalently bonded molecules and solid compounds under pressure. This surprising miscibility suggests possible mixing regions between the molecular and rock layers in the interiors of large planets. 

Abstract Wetlands are the largest natural source of methane, yet bottom‐up models and top‐down models do not agree on global wetland methane emissions. In this study, we use TROPOMI methane data and inverse modeling to estimate the spatial and temporal distribution of global wetland methane emissions during the years 2019–2020 and compare inverse modeling results with an ensemble of 16 bottom‐up wetland models from the Global Carbon Project (GCP). We find that our inverse model increases wetland methane emissions near the equator (0–15) by 7% and decreases emissions in mid‐ and high‐latitude regions (31–90) by 26% compared to the mean of the GCP models. We also find that our inverse modeling estimate exhibits little seasonality in wetland methane emissions across most tropical wetland regions, even when emissions estimates within the prior include seasonality. This result is consistent with some bottom‐up models but not others. For mid‐ and high‐latitude wetland regions (e.g., the West Siberian lowland and Hudson Bay Great Lakes region), the seasonality of our inverse emissions estimate is consistent with most GCP models and suggests wetland methane emissions peak in July. Furthermore, we argue that an inundation map with accurate seasonality is a prerequisite for obtaining a bottom‐up methane emission estimate with appropriate seasonality. Overall, many of the bottom‐up models examined in this study agree with the magnitude and seasonality of the inverse model in major wetland regions, but there are nonetheless many opportunities to improve convergence between the bottom‐up and top‐down estimates.