Search NASA⌕ Search

SEARCH · Search NASA

Results for “Water surface elevation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9

Imaging high stage river-water intrusion into a contaminated aquifer along a major river corridor using 2D time-lapse surface electrical resistivity tomography

The Hanford 300 Area is located adjacent to the Columbia River in south-central Washington State, USA, and was a former site for nuclear fuel processing operations. Waste disposal practices resulted in persistent unsaturated zone and groundwater contamination, the primary contaminant of concern being uranium. Uranium behavior at the site is intimately linked with river stage driven groundwater-river water exchange such that understanding the nature of river water intrusion into the 300 Area is critical for predicting uranium desorption and transport. In this paper we use time-lapse electrical resistivity tomography (ERT) to image the inland intrusion of river during high stage conditions. We demonstrate a modified time-lapse inversion approach, whereby the transient water table elevation is explicitly modeled by removing regularization constraints across the water table boundary. This implementation was critical for producing meaningful imaging results. We inverted approximately 1200 data sets (400 per line over 3 lines) using high performance computing resources to produce a time-lapse sequence of changes in bulk conductivity caused by river water intrusion during the 2011 spring runoff cycle over approximately 125 days. The resulting time series for each mesh element was then analyzed using common time series analysis to reveal the timing and location of river water intrusion beneath each line. The results reveal non-uniform flows characterized by preferred flow zones where river water enters and exits quickly with stage increase and decrease, and low permeability zones with broader bulk conductivity ‘break through’ curves and longer river water residence times. The time-lapse ERT inversion approach removes the deleterious effects of changing water table elevation and enables remote and spatial continuous groundwater-river water exchange monitoring using surface based ERT arrays under conditions where groundwater and river water conductivity are in contrast.

300 Area↗

Model of temperature, evaporation, and productivity in elevated experimental algae raceways and comparison with commercial raceways

Elevated Experimental Raceways (EERs) have been used at many research sites in the United States to evaluate algal biomass productivity. This paper develops temperature and evaporation models for EERs and then evaluates whether the temperature profile and resultant productivity in an EER is representative of large-scale commercial raceways. Open water surface evaporation and temperature models with shading algorithms were programmed in Python and calibrated with temperature and evaporation data from the EERs in the Regional Algal Feedstock Testbed (RAFT) experiments at the University of Arizona. The final calibrated model for EERs was named the EERTEM (Elevated Experimental Raceway Temperature and Evaporation Model). The energy balance algorithms in the Biomass Assessment Tool (BAT model) were also added to the Python code and used to develop temperature simulations of standard commercial paddlewheel raceways. A comparison of BAT and EERTEM simulations indicated that EER temperature fluctuations are not representative of in ground commercial paddlewheel raceways, primarily due to the buffering effect of soil heat flux in commercial raceways. With the different temperature profiles, biomass productivities of three algae species in the EERs were compared to productivities in commercial raceways. Differences in productivity between EERTEM and BAT model temperature profiles were observed when the maximum daytime temperature of one raceway was in the optimal growth range but the temperature of the other raceway exceeded or was below the optimal growth range.

Khawam, George↗

Evaluating Integrated Surface/Subsurface Permafrost Thermal Hydrology Models in ATS (v0.88) Against Observations from a Polygonal Tundra Site: Modeling Archive

This Modeling Archive supports the NGEE Arctic publication "Evaluating integrated surface/subsurface permafrost thermal hydrology models in ATS (v0.88) against observations from a polygonal tundra site" available in the Geoscientific Model Development journal. We evaluated the integrated surface/subsurface permafrost thermal hydrology models in the Advanced Terrestrial Simulator (ATS) against field observations in polygonal tundra at the Barrow Environmental Observatory. We simulated thermal hydrology of three-dimensional ice-wedge polygons with generic but broadly representative surface microtopography. We drove the simulations with meteorological data and observed water table elevations in ice-wedge polygon troughs. With limited calibration of the soil properties and evaporation model parameters, the simulations were found to be consistent with observed water tables, active layer thickness, snowpack depth, evaporation, and observed soil temperatures at several depths in trough, rim, and center. The study builds confidence in the emerging class of integrated surface/subsurface permafrost simulators and provides an optimized set of model parameters for use in projections of permafrost dynamics in a warming climate. This dataset includes python, html, pdf, EXO, H5, xlsx, and csv files. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Earth-atmosphere system and surface reflectivities in arid regions from LANDSAT multispectral scanner measurements

Programs for computing atmospheric transmission and scattering solar radiation were used to compute the ratios of the Earth-atmosphere system (space) directional reflectivities in the vertical direction to the surface reflectivity, for the four bands of the LANDSAT multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa and Central America from the spectral radiance levels measured by the LANDSAT MSS. From these space reflectivities, surface vertical reflectivities were computed applying the pertinent graphs. These surface reflectivities were used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory measurements.

Otterman, J.↗

Earth-atmosphere system and surface reflectivities in arid regions from Landsat MSS data

Previously developed programs for computing atmospheric transmission and scattering of the solar radiation are used to compute the ratios of the earth-atmosphere system (space) directional reflectivities in the nadir direction to the surface Lambertian reflectivity, for the four bands of the Landsat multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa, and Central America from the spectral radiance levels measured by the Landsat MSS. From these space reflectivities, surface reflectivities are computed applying the pertinent graphs. These surface reflectivities are used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory and in situ measurements.

Otterman, J.↗

Mars: Periglacial Morphology and Implications for Future Landing Sites

At the Mars Phoenix landing site and in much of the Martian northern plains, there is ice-cemented ground beneath a layer of dry permafrost. Unlike most permafrost on Earth, though, this ice is not liquid at any time of year. However, in past epochs at higher obliquity the surface conditions during summer may have resulted in warmer conditions and possible melting. This situation indicates that the ice-cemented ground in the north polar plains is likely to be a candidate for the most recently habitable place on Mars as near-surface ice likely provided adequate water activity approximately 5 Myr ago. The high elevation Dry Valleys of Antarctica provide the best analog on Earth of Martian ground ice. These locations are the only places on Earth where ice-cemented ground is found beneath dry permafrost. The Dry Valleys are a hyper-arid polar desert environment and in locations above 1500 m elevation, such as University Valley, air temperatures do not exceed 0 C. Thus, similarly to Mars, liquid water is largely absent here and instead the hydrologic cycle is dominated by frozen ice and vapor phase processes such as sublimation. These conditions make the high elevation Dry Valleys a key Mars analog location where periglacial processes and geomorphic features can be studied in situ. This talk will focus on studies of University Valley as a Mars analog for periglacial morphology and ice stability. We will review a landing site selection study encompassing this information gleaned from the Antarctic terrestrial analog studies plus Mars spacecraft data analysis to identify candidate landing sites for a future mission to search for life on Mars.

Martian ground ice↗

Temporal Variability in Reservoir Surface Area Is an Important Source of Uncertainty in GHG Emission Estimates

Ebullitive methane (CH 4 ) emissions in lentic ecosystems tend to concentrate at river-lake interfaces and within shallow littoral zones. However, inconsistent definitions of the littoral zone and static representations of the lake or reservoir surface area contribute to major uncertainties in greenhouse gas (GHG) emissions estimates, particularly in reservoirs with large water-level fluctuations. This study examines temporal variation in littoral and total surface areas of US reservoirs and demonstrates how different methods and data sources lead to discrepencies in reservoir GHG emissions at large scales and over time. We also explore variability in remotely sensed water occurrence according to maximum surface area, reservoir purposes, and hydrologic regions. Notably, the largest relative variability in surface area is exhibited by small reservoirs with a maximum surface area <1 km 2 and non-hydroelectric reservoirs. Additionally, we use a case study of measured CH 4 emissions from the southeastern United States (Douglas Reservoir) to illustrate the effects of varying surface area on reservoir-wide GHG estimates. Upscaled CH 4 emissions in Douglas Reservoir differed by nearly two-fold depending on the source of total surface area data and whether estimates accounted for seasonal fluctuations in surface area. During seasonal drawdown in Douglas Reservoir, relative littoral area varies non-linearly; periods of lower pool elevation (and thus larger relative littoral area) likely contribute disproportionately high CH 4 emission rates compared to the commonly sampled summer season when water levels are at full-pool elevation. Improved GHG monitoring and upscaling techniques require accounting for temporal variability in reservoir surface extent and littoral area.

54 ENVIRONMENTAL SCIENCES↗

Utah FORGE Groundwater Levels: Updated 2021

Contains Utah FORGE ground water data for wells WOW2 and WOW3. The data was updated on October 5th, 2021 and contains legacy data. Groundwater data includes the level, offset, date, and time for each measurement. Temperature, drift, water elevation and other parameters are recorded. Figures in the data include a water elevation over time plot. Legacy data ranges from year 1976 to 2019 and updated data ranges from year 2019 to 2021.

15 GEOTHERMAL ENERGY↗

Quantifying Cr(VI) Production and Export from Serpentine Soil of the California Coast Range

Here, hexavalent chromium (Cr(VI)) is generated in serpentine soils and exported to surface and groundwaters at levels above health-based drinking water standards. Although Cr(VI) concentrations are elevated in serpentine soil pore water, few studies have reported field evidence documenting Cr(VI) production rates and fluxes that govern Cr(VI) transport from soil to water sources. We report Cr speciation (i) in four serpentine soil depth profiles derived from the California Coast Range serpentinite belt and (ii) in local surface waters. Within soils, we detected Cr(VI) in the same horizons where Cr(III)-minerals are colocated with biogenic Mn(III/IV)-oxides, suggesting Cr(VI) generation through oxidation by Mn-oxides. Water-extractable Cr(VI) concentrations increase with depth constituting a 7.8 to 12 kg/km 2 reservoir of Cr(VI) in soil. Here, Cr(VI) is produced at a rate of 0.3 to 4.8 kg Cr(VI)/km 2 /yr and subsequently flushed from soil during water infiltration, exporting 0.01 to 3.9 kg Cr(VI)/km 2 /yr at concentrations ranging from 25 to 172 μg/L. Although soil-derived Cr(VI) is leached from soil at concentrations exceeding 10 μg/L, due to reduction and dilution during transport to streams, Cr(VI) levels measured in local surface waters largely remain below California’s drinking water limit.

54 ENVIRONMENTAL SCIENCES↗

Stable carbon isotope values of syndepositional carbonate spherules and micrite record spatial and temporal changes in photosynthesis intensity

Marine and lacustrine carbonate minerals preserve carbon cycle information, and their stable carbon isotope values (δ 13 C) are frequently used to infer and reconstruct paleoenvironmental changes. However, multiple processes can influence the δ 13 C values of bulk carbonates, confounding the interpretation of these values in terms of conditions at the time of mineral precipitation. Co-existing carbonate forms may represent different environmental conditions, yet few studies have analyzed δ 13 C values of syndepositional carbonate grains of varying morphologies to investigate their origins. Here, we combine stable isotope analyses, metagenomics, and geochemical modeling to interpret δ 13 C values of syndepositional carbonate spherules (>500 μm) and fine-grained micrite (<63 μm) from a ~1600-year-long sediment record of a hypersaline lake located on the coral atoll of Kiritimati, Republic of Kiribati (1.9°N, 157.4°W). Petrographic, mineralogic, and stable isotope results suggest that both carbonate fractions precipitate in situ with minor diagenetic alterations. The δ 13 C values of spherules are high compared to the syndepositional micrite and cannot be explained by mineral differences or external perturbations, suggesting a role for local biological processes. We use geochemical modeling to test the hypothesis that the spherules form in the surface microbial mat during peak diurnal photosynthesis when the δ 13 C value of dissolved inorganic carbon is elevated. In contrast, we hypothesize that the micrite may precipitate more continuously in the water as well as in sub-surface, heterotrophic layers of the microbial mat. Both metagenome and geochemical model results support a critical role for photosynthesis in influencing carbonate δ 13 C values. The down-core spherule–micrite offset in δ 13 C values also aligns with total organic carbon values, suggesting that the difference in the δ13C values of spherules and micrite may be a more robust, inorganic indicator of variability in productivity and local biological processes through time than the δ 13 C values of individual carbonate forms.

59 BASIC BIOLOGICAL SCIENCES↗

Martian atmospheric water vapor observations - 1972-74 apparition

Results are reported for 469 photoelectric spectral scans of the Doppler-shifted Martian water lines (at 8197.704 and 8176.975 A), which were obtained during the 1972-74 apparition with an echelle-coude scanner mounted on a 107-in. telescope. These observations covered almost an entire Martian year and were made in three ways: pole to pole on the central meridian, parallel to the equator at various latitudes, and parallel to the terminator at various positions between the limb and the terminator. Previous observations of Martian water vapor are reviewed, and the data-reduction procedures used in the present study are described in detail. The major conclusions are: (1) both seasonal and diurnal variations seem to be controlled by insolation rather than by local topography relative to the 6.1-mb surface; (2) there was a slight negative correlation with elevation, but this improved during seasons of greater water content; (3) the planetwide abundance is low during both equinoctical periods; (4) the maximum abundance occurs at about 40 deg latitude in each hemisphere after solstice; and (5) during the 'drier' seasons near the equinoxes, the atmospheric water vapor content changes by a factor of 2 to 3 over a diurnal cycle with the maximum near local noon.

Barker, E. S.↗

Enhanced reactivity at the oil–water interface accelerates the synthesis of zymonic acid in microemulsions

Chemical reactions in microscale compartments, such as aerosols and emulsions, can exhibit significantly faster reaction rates relative to macroscale containers. This enhancement in chemistry is often due to the elevated importance of surfaces as reaction vessels are reduced to picoliter volumes. While most studies have focused on the air-water interface of droplets, there are comparably fewer studies of reactions in micron-scale aqueous solutions encapsulated by oil. Here we investigate the condensation reaction of pyruvic acid (PA) to form zymonic acid (ZA) and water. Using microfluidics and optical trapping, chemical kinetics are measured in monodisperse micron-sized emulsion droplets in situ via Raman spectroscopy. Relative to a macroscopic bulk solution, which exhibits little to no reaction over many days, we find efficient production of ZA over the same time period. A kinetic model is developed to elucidate the role of the interface in accelerating the microdroplet reaction kinetics. After quantifying the surface partitioning of PA from interfacial tension measurements, the rate coefficient for the condensation reaction at the oil-water interface is determined to be 1.8 × 10-2 M-1 s-1. This rate coefficient is estimated to be 105 larger than the reaction rate in bulk aqueous solutions. Compared to previous studies of accelerated ZA formation at the air-water interface on nanodroplets, we find that the reaction at the oil-water interface is 20 times more efficient. Despite this difference, the overall ZA formation rate in emulsions is significantly slower than in the same-sized aerosols, which arises from the weaker partitioning of PA to the oil-aqueous relative to air-water interface. These results highlight the interplay between interfacial partitioning and reactivity in accelerating chemistry in microcompartments and provides new insights into how interfacial composition influences condensation reactions.

Wallace, Brandon J↗

Presenting the Rain-Sea Interaction Facility

The new Rain-Sea Interaction Facility (RSIF) was established at GSFC/WFF and the first finds are presented. The unique feature of this laboratory is the ability to systematically study microwave scattering from a water surface roughened by artificial rain, for which the droplets are at terminal velocity. The fundamental instruments and systems (e.g., the rain simulator, scatterometers, and surface elevation probes) were installed and evaluated during these first experiments - so the majority of the data were obtained with the rain simulator at 1 m above the water tank. From these initial experiments, three new models were proposed: the square-root function for NCS vs. R, the log Gaussian model for ring-wave elevation frequency spectrum, and the Erland probability density distribution for back scattered power. Rain rate is the main input for these models, although the coefficients may be dependent upon other factors (drop-size distribution, fall velocity, radar configuration, etc.). The facility is functional and we foresee collaborative studies with investigators who are engaged in measuring and modeling rain-sea interaction processes.

Bliven, Larry F.↗

Surface-based inversions above central Greenland: SBI ABOVE CENTRAL GREENLAND

[1] Surface-based temperature inversions (SBIs) are studied at Summit Station in central Greenland during the period spanning July 2010 to May 2012. The frequency and intensity of SBI are examined using microwave radiometer (MWR) temperature retrievals, radiosonde profiles, and near-surface meteorological data. Using the MWRs' high temporal resolution, the diurnal, monthly, and annual cycles are investigated. Monthly mean values in SBI occurrence and intensity show that surface-based inversions are prevalent in the winter with decreasing values in the summer months. A case study on 20 February 2011 suggests that factors other than solar elevation angle influence the intensity of surface-based inversions. An increase in liquid water path corresponds to a decrease in SBI intensity, suggesting that liquid-bearing clouds, especially within the lowest 1 km, are associated with weaker surface-based inversions.

54 ENVIRONMENTAL SCIENCES↗

Episodic Ocean-Induced CO2 Greenhouse on Mars: Implications for Fluvial Valley Formation

Pulses of CO2 injected into the martian atmosphere more recently than 4 Ga can place the atmosphere into a stable, higher pressure, warmer greenhouse state. One to two bar pulses of CO2 added to the atmosphere during the past several billion years are sufficient to raise global mean temperatures above 240 or 250 K for tens to hundreds of millions of years, even when accounting for CO2 condensation. Over time, the added CO2 is lost to carbonates, the atmosphere collapses and returns to its buffered state. A substantial amount of water could be transported during the greenhouse periods from the surface of a frozen body of water created by outflow channel discharges to higher elevations, despite global temperatures well below freezing. This water, precipitated as snow, could ultimately form fluvial valleys if deposition sites are associated with localized heat sources, such as magmatic intrusions or volcanoes. Thus, if outflow channel discharges were accompanied by the release of sufficient quantities of CO2, a limited hydrological cycle could have resulted that would have been capable of producing geomorphic change sufficient for fluvial erosion and valley formation. Glacial or periglacial landforms would also be a consequence of such a mechanism.

Gulick, V. C.↗

Storm Surge and Ponding Explain Mangrove Dieback in Southwest Florida Following Hurricane Irma

Mangroves buffer inland ecosystems from hurricane winds and storm surge. However, their ability to withstand harsh cyclone conditions depends on plant resilience traits and geomorphology. Using airborne lidar and satellite imagery collected before and after Hurricane Irma, we estimated that 62% of mangroves in southwest Florida suffered canopy damage, with largest impacts in tall forests (>10 m). Mangroves on well-drained sites (83%) resprouted new leaves within one year after the storm. By contrast, in poorly-drained inland sites, we detected one of the largest mangrove diebacks on record (10,760 ha), triggered by Irma. We found evidence that the combination of low elevation (median = 9.4 cm asl), storm surge water levels (>1.4 m above the ground surface), and hydrologic isolation drove coastal forest vulnerability and were independent of tree height or wind exposure. Our results indicated that storm surge and ponding caused dieback, not wind. Tidal restoration and hydrologic management in these vulnerable, low-lying coastal areas can reduce mangrove mortality and improve resilience to future cyclones.

David Lagomasino↗

Mars Entry, Descent, Landing, and Ascent Systems Sensitivities to Landing Site and Atmospheric Dust

Plans for human missions to Mars continue to go through several architectural changes, dating all the way back to the 1950s [1]. The continuous study, reformulation, and refinement of Mars architectures and system concepts is necessary in order to incorporate evolving mission objectives, technology advancements, and growth in the body of knowledge regarding human factors and the various environments of human space travel. This evolution has continued into the 21st century, with architectures concepts such as NASA’s Design Reference Architecture 5.0 in 2009 [2], The Evolvable Mars Campaign in 2016 [3], and as recently as 2020, an architecture focused on a crewed mission as early as the 2030s that aims to minimizing crewed duration and infrastructure investment for the first mission [4]. Within these architectures, numerous studies around the current concept designs for Mars entry, descent, landing, and ascent (EDLA) systems have been performed over the last half a decade [[5], [6], [7], [8], [9], [10]]. Despite the breadth and depth of these studies, landing site, a key design parameter relevant to the design of EDLA systems, has remained nebulous over the years, largely due to the ever evolving mission objectives and architecture concept over the decades. However, the specific landing site has direct impact on the altitude and atmospheric conditions, which subsequently impact the design of EDLA systems. To accommodate the lack of a specific landing site, a baseline reference altitude of 0 km relative to the Mars Orbiter Laser Altimeter (MOLA), which is similar to an Earth sea level reference, has typically been selected and fixed for these past studies. Similarly, a baseline reference atmosphere has typically been utilized in these studies, either the Mars Global Reference Atmospheric Model [11], or a general 1982 standard warm, high pressure atmosphere model derived from Viking lander data [12]. Fig. 1 shows the range of elevations across the surface of Mars. Current architectures are focused on latitudes greater than 30 degrees north in an effort to ensure access to frozen water ice. From the figure, it is quickly evident that elevations over the range of longitudes at or above this latitude are significantly varied between roughly -4 to +4 km MOLA. Based on these observations, initial qualitative assessments of the impacts of landing site elevation on EDLA systems were performed. Fig. 2 depicts the expected trends in EDLA system mass for variations in both land site latitude and elevation. The background coloring is a qualitative evaluation of the current knowledge on ice water availability at the latitudes. Further modeling and simulation was performed to obtain numerical predictions of sensitivities to these parameters. Results indicate up to +2% to -4% mass variation from the current baseline Mars Ascent Vehicle concept, with the potential for greater than 6% mass variation at latitudes greater than 70 degrees north. However, variations in the descent system due to landing site were much more significant with mass variations in the range of -15% to +30% around the current baseline Mars Descent System concept. Additionally, Fig. 3 provides a depiction of potential Mars atmospheric density variations with both dust and Martian season. Though the Martian atmosphere is relatively thin compared to Earth’s atmosphere, it still poses significant impact on the design of EDLA systems. Variations in atmospheric density indicated by this slice of data would have significant impact on the design of EDLA systems. However, due to the highly complex nature of atmospheric flight, a qualitative assessment could not be performed. Rather, sensitivity results relied on modeling and simulation to provide numerical results for sensitivities on the current EDLA design concepts under consideration. Understanding these sensitivities is vital to the overall systems design of a Mars architecture. The resulting mass impacts on EDLA systems, driven by landing site elevation and dust level variations, has rippling impacts throughout the architecture that, ultimately, impact the viability of the architecture. Results showed fairly minor mass impacts to the current Mars Ascent Vehicle baseline configuration, roughly -0.6% to + 0.4% mass variations, while the Mars Descent System say greater variations due to dust, roughly -4% to +6% around the baseline concept.

EDLA↗

Atomic-Scale Dynamic Interaction of H 2 O Molecules with Cu Surface

Atomic-scale interaction of water vapor with metal surfaces beyond surface adsorption under technologically relevant conditions remains mostly unexplored. Using aberration-corrected environmental transmission electron microscopy, we reveal the dynamic surface activation of Cu by H 2 O at elevated temperature and pressure. In this study, we find a structural transition from flat to corrugated surface for the Cu(011) under low water-vapor pressure. Increasing the water-vapor pressure leads to the surface reaction of Cu with dissociated H 2 O, resulting in the formation of a metastable “bilayer” Cu-O-H phase. Corroborated by density functional theory and ab initio molecular dynamics calculations, the cooperative O and OH interaction with Cu is responsible for the formation and subsurface propagation of this phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗