arXiv subjects

Clara Sousa-Silva

Publications and source records attributed to Clara Sousa-Silva.

At least 19 recordsLinked to original sources

arXiv2026

Wavelength Requirements for Life Detection via Reflected Light Spectroscopy of Rocky Exoplanets

Searching for signs of life is a primary goal of the Habitable Worlds Observatory (HWO). However, merely detecting oxygen, methane, or other widely discussed biosignatures is insufficient evidence for a biosphere. In parallel with biosignature detection, exoplanet life detection additionally requires characterization of the broader physicochemical context to evaluate planetary habitability and the plausibility that life could produce a particular biosignature in a given environment. Life detection further requires that we can confidently rule out photochemical or geological phenomena that can mimic life. Evaluating false-positive scenarios may require different observatory specifications than biosignature detection surveys. Here, we explore the coronagraph requirements for assessing habitability and for excluding known false-positive (and false-negative) scenarios for oxygen and methane. We find that broad wavelength coverage ranging from the near ultraviolet (0.26 $μ$m) and extending into the near infrared (1.7 $μ$m) is necessary to contextualize these potential biosignatures with HWO. The short-wavelength cutoff is driven by the need to identify Proterozoic-like biospheres via O$_3$, whereas the long-wavelength cutoff is driven by the need to contextualize O$_2$ and CH$_4$ biosignatures via constraints on carbon-bearing atmospheric species. The ability to obtain spectra with signal-to-noise ratios of 20-40 across this 0.26-1.7 $μ$m range (R=7 UV, R=140 VIS, and R=70 NIR) is also required. While not every Earth-analog biosignature and false positive can be unambiguously identified with these capabilities-and the plausibility and contextual clues of many biosignature false positives remain an area of active research-our minimal spectral recommendations would enable a broad search for Earth-like life assuming such observations are achievable for a meaningful number of HWO targets.

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arXiv2026

Assessing the Impact of Varying HSO Cross Sections on Photochemical Models: Implications for the Spectral Characterization of Terrestrial Exoplanets

Characterization of exoplanet atmospheres requires a close interplay between observations, modelling and experimental data. The accuracy of input data used in atmospheric models is essential, as it impacts our interpretation of planetary spectra with retrieval codes. Molecular absorption cross sections in the Ultraviolet-Visible range are fundamental input parameters, determining chemical kinetics, particularly on temperate terrestrial planets. However, several atmospheric species remain poorly, or even entirely uncharacterised. This is the case for HSO, a radical with unconstrained photolysis cross sections, often approximated by hydroperoxyl (HO2). Sulphur chemistry can strongly influence the composition of rocky exoplanets, particularly in anoxic environments where volcanic SO2 -- the main source of HSO -- is more efficiently photolysed, and sulphur aerosols like S8 can form. HSO photolysis contributes to the formation of such sulphur chains, which have been proposed as indirect signatures of volcanic outgassing. Assessing the sensitivity of photochemical models to different UV-Visible cross-section prescriptions for HSO is therefore important for guiding its prioritization among poorly characterised atmospheric species. Here, we derive an updated HSO cross-section prescription from simulated HSO2 data, providing a more reliable representation of HSO photolysis than HO2. We compare results from these new cross sections to the default prescription for temperate terrestrial planets with Archean-like atmospheres. We find that our updated HSO cross-section prescription enhances aerosol scattering and absorption signatures in transmission, emission and reflection spectra for planets orbiting G- and K-type stars.

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arXiv2026

Habitable Worlds Observatory (HWO): Living Worlds Community Working Group: The Search for Life on Potentially Habitable Exoplanets

The discovery of a biosphere on another planet would transform how we view ourselves, and our planet Earth, in relation to the rest of the cosmos. We now know Earth is one planet among eight circling our sun; our sun is part of a swirling galaxy of over one hundred billion other suns; and our galaxy is one of untold billions in the universe. While we do not yet know how many, if any, other biospheres exist on the countless worlds orbiting countless other suns, we stand at the precipice of a new era of discovery, enabled by powerful new facilities able to peer across the light years into the atmospheres of planets similar to our own. This article is an adaptation of a science case document (SCDD) developed for the NASA Astrophysics Flagship mission the Habitable Worlds Observatory (HWO) Science, Technology, and Architecture Review Team (START) Living Worlds Community Working Group.

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arXiv2026

NASA Decadal Astrobiology Research and Exploration Strategy (NASA-DARES 2025) White Paper -- Habitable Worlds Observatory Living Worlds Science Cases: Research Gaps and Needs

Executive Summary: The Habitable Worlds Observatory (HWO) is the first astrophysics flagship mission with a key cross-divisional astrobiology science goal of searching for signs of life on rocky planets beyond our solar system. The Living Worlds Working Group under the Science, Technology, and Architecture Review Team (START) was charged with investigating how HWO could characterize potentially habitable exoplanets orbiting stars in the solar neighborhood, search for signs of life, and interpret potential biosignatures within a false positive and false negative framework. In particular, we focused on (1) identifying biosignatures that have spectral features in the UV-Vis-NIR wavelength range and defining their measurement requirements, (2) determining additional information needed from the planet and planet system to interpret biosignatures and assess the likelihood of false positives, and (3) assembling current knowledge of likely HWO target stars and identify which properties of host stars and systems are most critical to know in advance of HWO. The Living Worlds atmospheric biosignatures science case is considered one of the key drivers in the design of the observatory. An additional 10 astrobiology science cases were developed that collectively revealed key research gaps and needs required to fully explore the observatory parameter space and perform science return analyses. Investment in these research gaps will require coordination across the Science Mission Directorate and fall under the purview of the new Division-spanning astrobiology strategy.

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arXiv2025

The Detection-vs-Retrieval Challenge: Titan as an Exoplanet

Cassini's observations of Titan's atmosphere are exemplary benchmarks for exoplanet atmospheric studies owing to (1) their precision and (2) our independent knowledge of Titan. Leveraging these observations, we perform retrievals (i.e., analyses) of Titan's transmission spectrum to investigate the strengths/limitations of exoplanet atmospheric retrievals with a particular focus on the underlying assumptions regarding the molecular species included in the retrieval. We find that multiple hydrocarbons can be ``retrieved'' depending on the selection made ahead of a retrieval. More importantly, we find that the estimates of other parameters such as the abundance of key absorbers like methane can be biased by $\sim$0.5 dex (by a factor of $\sim$3) due to such choices. This shows that beyond the possible misidentification of a molecular feature (e.g., current debate surrounding dimethyl sulfide, DMS, in K2-18 b), the implicit molecular detections made pre-retrieval to avoid retrieving for hundreds of molecules at a time can bias a large range of parameters. We thus recommend sensitivity analysis to assess the dependencies of atmospheric inferences on such selections in tandem with complementary information (e.g., chemistry models) to support any pre-retrieval selection. Finally, we introduce an independent path to constrain the dominant atmospheric constituent, even when lacking observable absorption feature (e.g., H$_2$ and N$_2$) through the scale height.

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arXiv2025

Data availability and requirements relevant for the Ariel space mission and other exoplanet atmosphere applications

The goal of this white paper is to provide a snapshot of the data availability and data needs primarily for the Ariel space mission, but also for related atmospheric studies of exoplanets and brown dwarfs. It covers the following data-related topics: molecular and atomic line lists, line profiles, computed cross-sections and opacities, collision-induced absorption and other continuum data, optical properties of aerosols and surfaces, atmospheric chemistry, UV photodissociation and photoabsorption cross-sections, and standards in the description and format of such data. These data aspects are discussed by addressing the following questions for each topic, based on the experience of the "data-provider" and "data-user" communities: (1) what are the types and sources of currently available data, (2) what work is currently in progress, and (3) what are the current and anticipated data needs. We present a GitHub platform for Ariel-related data, with the goal to provide a go-to place for both data-users and data-providers, for the users to make requests for their data needs and for the data-providers to link to their available data. Our aim throughout the paper is to provide practical information on existing sources of data whether in databases, theoretical, or literature sources.

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arXiv2025

Observation of undepleted phosphine in the atmosphere of a low-temperature brown dwarf

The atmospheres of low-temperature brown dwarfs and gas giant planets are expected to contain the phosphine molecule, PH$_3$ However, previous observations have shown much lower abundances of this molecule than predicted by atmospheric chemistry models. We report JWST spectroscopic observations of phosphine in the atmosphere of the brown dwarf Wolf 1130C. Multiple absorption lines due to phosphine are detected around 4.3 $μ$m, from which we calculate a phosphine abundance of 0.100$\pm$0.009 parts per million. This abundance is consistent with disequilibrium atmospheric chemistry models that reproduce the phosphine abundances in Jupiter and Saturn, and is much higher than abundances previously reported for other brown dwarfs or exoplanets.

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arXiv2025

The Discovery of 25 um Interstellar Methanol

We present the first astrophysical detection of methanol (CH3OH) in the torsional band near 25 um. Using high resolution mid-infrared (MIR) spectroscopy, we identified over seventy gas-phase CH3OH absorption lines between 20 and 28 um towards the massive protostar NGC 7538 IRS 1 with SOFIA/EXES. We derive a temperature of 180 K and a total column density of 2 x 10^17 cm-2, comparable to sub-mm measurements. Complementary analysis of acetylene (C2H2) absorption lines is also included. Both CH3OH and C2H2 reveal an unresolved second velocity component. These MIR absorption lines likely probe the molecular material in two edge-on disks, supporting the scenario that NGC 7538 IRS 1 consists of multiple protostars. We provide an updated line list for the torsional band of CH3OH, which was generated from lab work and model calculations. This discovery and the updated line list will enable the search for CH3OH in JWST/MIRI spectra.

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arXiv2025

The Impact of Extended CO$_2$ Cross Sections on Temperate Anoxic Planet Atmospheres

Our interpretation of terrestrial exoplanet atmospheric spectra will always be limited by the accuracy of the data we use as input in our forward and retrieval models. Ultraviolet molecular absorption cross sections are one category of these essential model inputs; however, they are often poorly characterized at the longest wavelengths relevant to photo-dissociation. Photolysis reactions dominate the chemical kinetics of temperate terrestrial planet atmospheres. One molecule of particular importance is CO$_2$, which is likely present in all terrestrial planet atmospheres. The photolysis of CO$_2$ can introduce CO and O, as well as shield tropospheric water vapor from undergoing photolysis. This is important because H$_2$O photolysis produces OH, which serves as a major reactive sink to many atmospheric trace gases. Here, we construct CO$_2$ cross-section prescriptions at 195K and 300K extrapolated beyond 200 nm from measured cross sections. We compare results from the implementation of these new cross sections to the most commonly used CO$_2$ prescriptions for temperate, terrestrial planets with Archean-like atmospheres. We generally find that the observational consequences of CO$_2$ dissociation beyond 200 nm is minimal so long as our least conservative (highest opacity) prescription can be ruled out. Moreover, implementing our recommended extended CO$_2$ cross sections does not substantially alter previous results showing the consequential photochemical impact of extended H$_2$O cross sections.

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arXiv2024

The Impact of Extended H$_{2}$O Cross-Sections on Temperate Anoxic Planet Atmospheres: Implications for Spectral Characterization of Habitable Worlds

JWST has created a new era of terrestrial exoplanet atmospheric characterization, and with it the possibility to detect potential biosignature gases like CH$_{4}$. Our interpretation of exoplanet atmospheric spectra, and the veracity of these interpretations, will be limited by our understanding of atmospheric processes and the accuracy of input modeling data. Molecular cross-sections are essential inputs to these models. The photochemistry of temperate planets depends on photolysis reactions whose rates are governed by the dissociation cross-sections of key molecules. H$_{2}$O is one such molecule; the photolysis of H$_{2}$O produces OH, a highly reactive and efficient sink for atmospheric trace gases. We investigate the photochemical effects of improved H$_{2}$O cross-sections on anoxic terrestrial planets as a function of host star spectral type (FGKM) and CH$_{4}$ surface flux. Our results show that updated H$_{2}$O cross-sections, extended to wavelengths $>$200 nm, substantially impact the predicted abundances of trace gases destroyed by OH. The differences for anoxic terrestrial planets orbiting Sun-like host stars are greatest, showing changes of up to three orders of magnitude in surface CO levels, and over an order of magnitude in surface CH$_{4}$ levels. These differences lead to observable changes in simulated planetary spectra, especially important in the context of future direct-imaging missions. In contrast, the atmospheres of planets orbiting M-dwarf stars are substantially less affected. Our results demonstrate a pressing need for refined dissociation cross-section data for H$_{2}$O, where uncertainties remain, and other key molecules, especially at mid-UV wavelengths $>$200 nm.

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arXiv2023

Origin and extent of the opacity challenge for atmospheric retrievals of WASP-39 b

As the James Webb Space Telescope (JWST) came online last summer, we entered a new era of astronomy. This new era is supported by data products of unprecedented information content that require novel reduction and analysis techniques. Recently, Niraula et al. 2022 (N22) highlighted the need for upgraded opacity models to prevent facing a model-driven accuracy wall when interpreting exoplanet transmission spectra. Here, we follow the same approach as N22 to explore the sensitivity of inferences on the atmospheric properties of WASP-39 b to the opacity models used. We find that the retrieval of the main atmospheric properties from this first JWST exoplanet spectrum is mostly unaffected by the current state of the community's opacity models. Abundances of strong opacity sources like water and carbon dioxide are reliably constrained within $\sim$0.30 dex, beyond the 0.50 dex accuracy wall reported in N22. Assuming the completeness and accuracy of line lists, N22's accuracy wall is primarily driven by model uncertainties on broadening coefficients and far-wing behaviors, which we find to have marginal consequences for interpreting the transmission spectra of large, hot, high-metallicity atmospheres such as WASP-39 b, in opposition to emission spectra and climate modeling which depend on deeper parts of a planetary atmosphere. The origin of the opacity challenge in the retrieval of metal-rich hot Jupiters via transmission spectroscopy will thus mostly stem from the incompleteness and inaccuracy of line lists.

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arXiv2023

Recovering Phosphine in Venus' Atmosphere from SOFIA Observations

Searches for phosphine in Venus' atmosphere have sparked a debate. Cordiner et al. 2022 analyse spectra from the Stratospheric Observatory For Infrared Astronomy (SOFIA) and infer <0.8 ppb of PH3. We noticed that some spectral artefacts arose from non-essential calibration-load signals. By-passing these signals allows simpler post-processing and a 5.7σ candidate detection, suggesting approx. 3 ppb of PH3 above the clouds. Compiling six phosphine results hints at an inverted abundance trend: decreasing above the clouds but rising again in the mesosphere from some unexplained source. However, no such extra source is needed if phosphine is undergoing destruction by sunlight (photolysis), to a similar degree as on Earth. Low phosphine values/limits are found where the viewed part of the super-rotating Venusian atmosphere had passed through sunlight, while high values are from views moving into sunlight. We suggest Venusian phosphine is indeed present, and so merits further work on models of its origins.

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arXiv2022

The Impending Opacity Challenge in Exoplanet Atmospheric Characterization

With a new generation of observatories coming online this decade, the process of characterizing exoplanet atmospheres will need to be reinvented. Currently mostly on the instrumental side, characterization bottlenecks will soon stand by the models used to translate spectra into atmospheric properties. Limitations stemming from our stellar and atmospheric models have already been highlighted. Here, we show that the current limitations of the opacity models used to decode exoplanet spectra propagate into an accuracy wall at ~0.5-1.0 dex (i.e., 3 to 10x) on the atmospheric properties, which is an order of magnitude above the precision targeted by JWST Cycle 1 programs and needed for, e.g., meaningful C/O-ratio constraints and biosignatures identification. We perform a sensitivity analysis using nine different opacity models and find that most of the retrievals produce harmonious fits owing to compensations in the form of >5$σ$ biases on the derived atmospheric parameters translating in the aforementioned accuracy wall. We suggest a two-tier approach to alleviate this problem involving a new retrieval procedure and guided improvements in opacity data, their standardization and optimal dissemination.

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arXiv2021

Venusian phosphine: a 'Wow!' signal in chemistry?

The potential detection of ppb levels phosphine (PH3) in the clouds of Venus through millimeter-wavelength astronomical observations is extremely surprising as PH3 is an unexpected component of an oxidized environment of Venus. A thorough analysis of potential sources suggests that no known process in the consensus model of Venus' atmosphere or geology could produce PH3 at anywhere near the observed abundance. Therefore, if the presence of PH3 in Venus' atmosphere is confirmed, it is highly likely to be the result of a process not previously considered plausible for Venusian conditions. The source of atmospheric PH3 could be unknown geo- or photochemistry, which would imply that the consensus on Venus' chemistry is significantly incomplete. An even more extreme possibility is that strictly aerial microbial biosphere produces PH3. This paper summarizes the Venusian PH3 discovery and the scientific debate that arose since the original candidate detection one year ago.

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arXiv2021

Phosphine on Venus Cannot be Explained by Conventional Processes

The recent candidate detection of ~1 ppb of phosphine in the middle atmosphere of Venus is so unexpected that it requires an exhaustive search for explanations of its origin. Phosphorus-containing species have not been modelled for Venus' atmosphere before and our work represents the first attempt to model phosphorus species in the Venusian atmosphere. We thoroughly explore the potential pathways of formation of phosphine in a Venusian environment, including in the planet's atmosphere, cloud and haze layers, surface, and subsurface. We investigate gas reactions, geochemical reactions, photochemistry, and other non-equilibrium processes. None of these potential phosphine production pathways are sufficient to explain the presence of ppb phosphine levels on Venus. If PH3's presence in Venus' atmosphere is confirmed, it therefore is highly likely to be the result of a process not previously considered plausible for Venusian conditions. The process could be unknown geochemistry, photochemistry, or even aerial microbial life, given that on Earth phosphine is exclusively associated with anthropogenic and biological sources. The detection of phosphine adds to the complexity of chemical processes in the Venusian environment and motivates in situ follow up sampling missions to Venus. Our analysis provides a template for investigation of phosphine as a biosignature on other worlds.

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arXiv2021

Computational Infrared Spectroscopy of 958 Phosphorus-bearing Molecules

Phosphine is now well established as a biosignature, which has risen to prominence with its recent tentative detection on Venus. To follow up this discovery and related future exoplanet biosignature detections, it is important to spectroscopically detect the presence of phosphorus-bearing atmospheric molecules that could be involved in the chemical networks producing, destroying or reacting with phosphine. We start by enumerating phosphorus-bearing molecules (P-molecules) that could potentially be detected spectroscopically in planetary atmospheres and collecting all available spectral data. Gaseous P-molecules are rare, with speciation information scarce. Very few molecules have high accuracy spectral data from experiment or theory; instead, the best available data is from the RASCALL approach and obtained using functional group theory. Here, we present a high-throughput approach utilising established computational quantum chemistry methods (CQC) to produce a database of approximate infrared spectra for 958 P-molecules. These data are of interest for astronomy and astrochemistry (importantly identifying potential ambiguities in molecular assignments), improving RASCALL's underlying data, big data spectral analysis and future machine learning applications. However, this data will probably not be sufficiently accurate for secure experimental detections of specific molecules within complex gaseous mixtures in laboratory or astronomy settings.

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arXiv2021

Assessment of Isoprene as a Possible Biosignature Gas in Exoplanets with Anoxic Atmospheres

Research for possible biosignature gases on habitable exoplanet atmosphere is accelerating. We add isoprene, C5H8, to the roster of biosignature gases. We found that formation of isoprene geochemical formation is highly thermodynamically disfavored and has no known abiotic false positives. The isoprene production rate on Earth rivals that of methane (~ 500 Tg yr-1). On Earth, isoprene is rapidly destroyed by oxygen-containing radicals, but its production is ubiquitous to a diverse array of evolutionarily distant organisms, from bacteria to plants and animals-few, if any at all, volatile secondary metabolite has a larger evolutionary reach. While non-photochemical sinks of isoprene may exist, the destruction of isoprene in an anoxic atmosphere is mainly driven by photochemistry. Motivated by the concept that isoprene might accumulate in anoxic environments, we model the photochemistry and spectroscopic detection of isoprene in habitable temperature, rocky exoplanet anoxic atmospheres with a variety of atmosphere compositions under different host star UV fluxes. Limited by an assumed 10 ppm instrument noise floor, habitable atmosphere characterization using JWST is only achievable with transit signal similar or larger than that for a super-Earth sized exoplanet transiting an M dwarf star with an H2-dominated atmosphere. Unfortunately, isoprene cannot accumulate to detectable abundance without entering a run-away phase, which occurs at a very high production rate, ~ 100 times Earth's production rate. In this run-away scenario isoprene will accumulate to > 100 ppm and its spectral features are detectable with ~ 20 JWST transits. One caveat is that some spectral features are hard to be distinguished from that of methane. Despite these challenges, isoprene is worth adding to the menu of potential biosignature gases.

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arXiv2021

The TESS Objects of Interest Catalog from the TESS Prime Mission

We present 2,241 exoplanet candidates identified with data from the Transiting Exoplanet Survey Satellite (TESS) during its two-year prime mission. We list these candidates in the TESS Objects of Interest (TOI) Catalog, which includes both new planet candidates found by TESS and previously-known planets recovered by TESS observations. We describe the process used to identify TOIs and investigate the characteristics of the new planet candidates, and discuss some notable TESS planet discoveries. The TOI Catalog includes an unprecedented number of small planet candidates around nearby bright stars, which are well-suited for detailed follow-up observations. The TESS data products for the Prime Mission (Sectors 1-26), including the TOI Catalog, light curves, full-frame images, and target pixel files, are publicly available on the Mikulski Archive for Space Telescopes.

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