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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Hydrological Data at the NASA GES DISC: Current Capabilities and New Opportunities

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is one of twelve NASA Earth science data centers that document, process, archive and distribute data from Earth observation missions and projects. GES DISC maintains an archive of several hydrology datasets, including the Land Data Assimilation Systems (LDAS) and the Gravity Recovery and Climate Experiment (GRACE) Data Assimilation for Drought Monitoring (GRACE-DA-DM) data products. These datasets include model output of heat fluxes, rain, snow, soil temperature, soil moisture, and runoff; and observational forcing data, including surface pressure, temperature, precipitation, downward shortwave and longwave radiation, humidity, and wind. The temporal resolution of the hydrology data at GES DISC ranges from hourly to monthly, and spatial resolutions range from 0.1° to 1.0°. The GES DISC provides services which enable users to aggregate, temporally and spatially subset, regrid, and visualize archived data including the GES DISC Subsetter, Hydrology Data Rods, and the Geospatial Interactive Online Visualization and Analysis Infrastructure (GIOVANNI). The Hydrology Data Rods service optimally reorganizes large hydrological data sets as extended time series, providing more efficient access for the hydrological community. The time series data (aka “data rods”) were integrated into hydrology community tools, such as the Data Rods Explorer on HydroShare. Furthermore, the GES DISC is in the process of migrating its data and services to the cloud. Hydrological data available at the GES DISC are now available in the Amazon Web Services (AWS) cloud (us-west-2 region) providing users Direct S3 data access and the capability for cloud computing operations. In this presentation, the hydrology data products and services currently available at the GES DISC will be summarized. Also discussed are the migration to the cloud, user support through this transition, and the status of migrating the data rods service to the cloud.

Ashley Heath↗
NASA NTRS2017

GES DISC Greenhouse Gas Data Sets and Associated Services

NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC) archives and distributes rich collections of data on atmospheric greenhouse gases from multiple missions. Hosted data include those from the Atmospheric Infrared Sounder (AIRS) mission (which has observed CO2, CH4, ozone, and water vapor since 2002); legacy water vapor and ozone retrievals from TIROS Operational Vertical Sounder (TOVS); and Upper Atmosphere Research Satellite (UARS) going back to the early 1980s. GES DISC also archives and supports data from seven projects of the Making Earth System Data Records for Use in Research Environments (MEaSUREs) program that have ozone and water vapor records. Greenhouse gases data from the A-Train satellite constellation is also available: (1) Aura-Ozone Monitoring Instrument (OMI) and Microwave Limb Sounder (MLS) ozone, nitrous oxide, and water vapor since 2004; (2) Greenhouse Gases Observing Satellite (GOSAT) CO2 observations since 2009 from the Atmospheric CO2 Observations from Space (ACOS) task; and (3) Orbiting Carbon Observatory-2 (OCO-2) CO2 data since 2014. The most recent related data set that the GES DISC archives is methane flux for North America, as part of NASAs Carbon Monitoring System (CMS) project. This dataset contains estimates of methane emission in North America based on an inversion of the GEOS-Chem chemical transport model constrained by GOSAT observations (Turner et al., 2015). Along with data stewardship, an important focus area of the GES DISC is to enhance the usability of its data and broaden its user base. Users have unrestricted access to a new user-friendly search interface, which includes many services such as variable subsetting, format conversion, quality screening, and quick browse. The majority of the GES DISC data sets are also accessible through Open-source Project for a Network Data Access Protocol (OPeNDAP) and Web Coverage Service (WCS). The latter two services provide more options for specialized subsetting, format conversion, and image viewing. Additional data exploration, data preview, and preliminary analysis capabilities are available via NASA Giovanni, which obviates the need forusers to download the data (Acker and Leptoukh, 2007). Giovanni provides a bridge between the data and science and has been very successful in extending GES DISC data to educational users and to users with limited resources.

data ordering↗
DOE OSTI2024

Restricted Rotational Flexibility of the C5α-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase

Carbapenem antibiotics are used as a last-resort treatment for infections caused by multidrug-resistant bacteria. The wide spread of carbapenemases in Gram-negative bacteria has severely compromised the utility of these drugs and represents a serious public health threat. To combat carbapenemase-mediated resistance, new antimicrobials and inhibitors of these enzymes are urgently needed. Here, we describe the interaction of the atypically C5α-methyl-substituted carbapenem, NA-1-157, with the GES-5 carbapenemase. MICs of this compound against Escherichia coli, Klebsiella pneumoniae, and Acinetobacter baumannii producing the enzyme were reduced 4–16-fold when compared to MICs of the commercial carbapenems, reaching clinically sensitive breakpoints. When NA-1-157 was combined with meropenem, a strong synergistic effect was observed. Kinetic and ESI-LC/MS studies demonstrated that NA-1-157 is a potent inhibitor of GES-5, with a high inactivation efficiency of (2.9 ± 0.9) × 105 M –1 s –1 . Acylation of GES-5 by NA-1-157 was biphasic, with the fast phase completing within seconds, and the slow phase taking several hours and likely proceeding through a reversible tetrahedral intermediate. Deacylation was extremely slow (k 3 = (2.4 ± 0.3) × 10 –7 s –1 ), resulting in a residence time of 48 ± 6 days. MD simulation of the GES-5-meropenem and GES-5-NA-1-157 acyl-enzyme complexes revealed that the C5α-methyl group in NA-1- 157 sterically restricts rotation of the 6α-hydroxyethyl group preventing ingress of the deacylating water into the vicinity of the scissile bond of the acyl-enzyme intermediate. Furthermore, these data demonstrate that NA-1-157 is a potent irreversible inhibitor of the GES-5 carbapenemase.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Unveiling the structure and electronic characteristics of amorphous GeS for high performance threshold switching

Ovonic threshold switching selectors are widely studied owing to the essential application in high density phase-change memory. Amorphous GeS is proposed as a potential candidate for the excellent performance. However, the knowledge of amorphous GeS is still insufficient up to date. Here, we have studied the structure and electronic characteristics of GeS in the amorphization process, by using ab initio molecular dynamics simulations. The results indicate that the amorphous GeS is mainly made up of Ge–S bonds. The Ge- and S-centered clusters are dominantly in the form of octahedral structures in liquid GeS. Furthermore, during the amorphization process, most of Ge-centered clusters become highly coordinated octahedrons while a small number of Ge-centered clusters change to tetrahedrons, and the S-centered clusters deviate from the octahedral structure gradually. In addition, the large bandgap and the relatively small mid-gap states in amorphous GeS lead to a high switching voltage.

42 ENGINEERING↗
NASA NTRS2015

Unified User Interface to Support Effective and Intuitive Data Discovery, Dissemination, and Analysis at NASA GES DISC

Goddard Earth Sciences Data and Information Services Center (GES DISC) has been providing access to scientific data sets since 1990s. Beginning as one of the first Earth Observing System Data and Information System (EOSDIS) archive centers, GES DISC has evolved to offer a wide range of science-enabling services. With a growing understanding of needs and goals of its science users, GES DISC continues to improve and expand on its broad set of data discovery and access tools, sub-setting services, and visualization tools. Nonetheless, the multitude of the available tools, a partial overlap of functionality, and independent and uncoupled interfaces employed by these tools often leave the end users confused as of what tools or services are the most appropriate for a task at hand. As a result, some the services remain underutilized or largely unknown to the users, significantly reducing the availability of the data and leading to a great loss of scientific productivity. In order to improve the accessibility of GES DISC tools and services, we have designed and implemented UUI, the Unified User Interface. UUI seeks to provide a simple, unified, and intuitive one-stop shop experience for the key services available at GES DISC, including sub-setting (Simple Subset Wizard), granule file search (Mirador), plotting (Giovanni), and other services. In this poster, we will discuss the main lessons, obstacles, and insights encountered while designing the UUI experience. We will also present the architecture and technology behind UUI, including NodeJS, Angular, and Mongo DB, as well as speculate on the future of the tool at GES DISC as well as in a broader context of the Space Science Informatics.

web portal↗
NASA NTRS2020

Famine Early Warning Systems Network (FEWS NET) Land Data Assimilation System (LDAS) and Other Assimilated Hydrological Data at NASA GES DISC

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) provides science support for several data sets relevant to agriculture and food security, including the Famine Early Warning Systems Network (FEWS NET) Land Data Assimilation System (LDAS), or FLDAS data set. The GES DISC is one of twelve NASA Earth Observing System (EOS) data centers that process, archive, document, and distribute data from Earth science missions and related projects. The GES DISC hosts a wide range of remote sensing and model data, and provides reliable and robust data access and other services to users worldwide. Beyond data archive and access, the GES DISC offers many services to visualize and analyze the data. This presentation provides a summary of the hydrological data available at the GES DISC, along with an overview of related data services. Specifically, the FLDAS data set has been adapted to work with domains, data streams, and monitoring and forecast requirements associated with food security assessment in data-sparse, developing country settings. The FLDAS global monthly data have a 0.1 x 0.1 degree spatial resolution covering the period from January 1982 to present. Global FLDAS monthly anomaly and monthly climatology data are also available at the GES DISC to evaluate how current conditions compare to averages over the FLDAS 35-year period. Several case studies using the FLDAS soil moisture, evapotranspiration, rainfall, runoff, and surface temperature data will be presented.

Loeser, Carlee↗
NASA NTRS2004

Radiance Data Products at the GES DAAC

The Goddard Earth Sciences Distributed Active Archive Center (GES DAAC) has been archiving and distributing Radiance data, and serving science and application users of these data, for over 10 years now. The user-focused stewardship of the Radiance data from the AIRS, AVHRR, MODIS, SeaWiFS, SORCE, TOMS, TOVS, TRMM, and UARS instruments exemplifies the GES DAAC tradition and experience. Radiance data include raw radiance counts, onboard calibration data, geolocation products, radiometric calibrated and geolocated-calibrated radiance/reflectance. The number of science products archived at the GES DAAC is steadily increasing, as a result of more sophisticated sensors and new science algorithms. Thus, the main challenge for the GES DAAC is to guide users through the variety of Radiance data sets, provide tools to visualize and reduce the volume of the data, and provide uninterrupted access to the data. This presentation will describe the effort at the GES DAAC to build a bridge between multi-sensor data and the effective scientific use of the data, with an emphasis on the heritage of the science products. The intent is to inform users of the existence of this large collection of Radiance data; suggest starting points for cross-platform science projects and data mining activities; provide data services and tools information; and to give expert help in the science data formats and applications.

Savtchenko, A.↗
NASA NTRS2005

NASA GES DISC DAAC Satellite Data for GIS

NASA's Goddard Earth Science (GES) Data and Information Services Center (DISC) Distributed Active Archive Center (DAAC) makes available a large and continually growing collection of spatially continuous global satellite observations of environmental parameters. These products include those from the MODIS (Moderate Resolution Imaging Spectroradiometer) on both Terra and Aqua platforms, and the Tropical Rainfall Measuring Mission (TRMM). These data products are well suited for use within Geographic Information Systems (GIS), as both backdrops to cartographic products as well as spatial analysis. However, data format, file size, and other issues have limited their widespread use by traditional GIS users. To address these data usability issues, the GES DISC DAAC recently updated tools and improved documentation of conversion procedures. In addition, the GES DISC DAAC has also been working with a major GIS software vendor to incorporate the ability to read the native Hierarchial Data Format (HDF), the format in which most of the NASA data is stored. The result is the enabling of GIS users to realize the benefit of GES DISC DAAC data without a substantial expenditure in resources to incorporate these data into their GIS. Several documents regarding the potential uses of GES DISC DAAC satellite data in GIS have recently been created. These show the combinations of concurrent data from different satellite products with traditional GIS vector products for given geographic areas. These map products include satellite imagery of Hurricane Isabel and the California wildfires, and can be viewed at http://daac.gsfc.nasa.gov/MODIS/GIS/.

Nickless, Darryl↗
NASA NTRS2005

NASA Remote Sensing Data in Earth Sciences: Processing, Archiving, Distribution, Applications at the GES DISC

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is one of the major Distributed Active Archive Centers (DAACs) archiving and distributing remote sensing data from the NASA's Earth Observing System. In addition to providing just data, the GES DISC/DAAC has developed various value-adding processing services. A particularly useful service is data processing a t the DISC (i.e., close to the input data) with the users' algorithms. This can take a number of different forms: as a configuration-managed algorithm within the main processing stream; as a stand-alone program next to the on-line data storage; as build-it-yourself code within the Near-Archive Data Mining (NADM) system; or as an on-the-fly analysis with simple algorithms embedded into the web-based tools (to avoid downloading unnecessary all the data). The existing data management infrastructure at the GES DISC supports a wide spectrum of options: from data subsetting data spatially and/or by parameter to sophisticated on-line analysis tools, producing economies of scale and rapid time-to-deploy. Shifting processing and data management burden from users to the GES DISC, allows scientists to concentrate on science, while the GES DISC handles the data management and data processing at a lower cost. Several examples of successful partnerships with scientists in the area of data processing and mining are presented.

Leptoukh, Gregory G.↗
NASA NTRS2012

TRMM Precipitation Application Examples Using Data Services at NASA GES DISC

Data services to support precipitation applications are important for maximizing the NASA TRMM (Tropical Rainfall Measuring Mission) and the future GPM (Global Precipitation Mission) mission's societal benefits. TRMM Application examples using data services at the NASA GES DISC, including samples from users around the world will be presented in this poster. Precipitation applications often require near-real-time support. The GES DISC provides such support through: 1) Providing near-real-time precipitation products through TOVAS; 2) Maps of current conditions for monitoring precipitation and its anomaly around the world; 3) A user friendly tool (TOVAS) to analyze and visualize near-real-time and historical precipitation products; and 4) The GES DISC Hurricane Portal that provides near-real-time monitoring services for the Atlantic basin. Since the launch of TRMM, the GES DISC has developed data services to support precipitation applications around the world. In addition to the near-real-time services, other services include: 1) User friendly TRMM Online Visualization and Analysis System (TOVAS; URL: http://disc2.nascom.nasa.gov/Giovanni/tovas/); 2) Mirador (http://mirador.gsfc.nasa.gov/), a simplified interface for searching, browsing, and ordering Earth science data at GES DISC. Mirador is designed to be fast and easy to learn; 3) Data via OPeNDAP (http://disc.sci.gsfc.nasa.gov/services/opendap/). The OPeNDAP provides remote access to individual variables within datasets in a form usable by many tools, such as IDV, McIDAS-V, Panoply, Ferret and GrADS; and 4) The Open Geospatial Consortium (OGC) Web Map Service (WMS) (http://disc.sci.gsfc.nasa.gov/services/wxs_ogc.shtml). The WMS is an interface that allows the use of data and enables clients to build customized maps with data coming from a different network.

Liu, Zhong↗
NASA NTRS2013

NASA GES DISC support of CO2 Data from OCO-2, ACOS, and AIRS

NASA Goddard Earth Sciences Data and Information Services Centers (GES DISC) is the data center assigned to archive and distribute current AIRS, ACOS data and data from the upcoming OCO-2 mission. The GES DISC archives and supports data containing information on CO2 as well as other atmospheric composition, atmospheric dynamics, modeling and precipitation. Along with the data stewardship, an important mission of GES DISC is to facilitate access to and enhance the usability of data as well as to broaden the user base. GES DISC strives to promote the awareness of science content and novelty of the data by working with Science Team members and releasing news articles as appropriate. Analysis of events that are of interest to the general public, and that help in understanding the goals of NASA Earth Observing missions, have been among most popular practices.Users have unrestricted access to a user-friendly search interface, Mirador, that allows temporal, spatial, keyword and event searches, as well as an ontology-driven drill down. Variable subsetting, format conversion, quality screening, and quick browse, are among the services available in Mirador. The majority of the GES DISC data are also accessible through OPeNDAP (Open-source Project for a Network Data Access Protocol) and WMS (Web Map Service). These services add more options for specialized subsetting, format conversion, image viewing and contributing to data interoperability.

Wei, Jennifer C↗
NASA NTRS2015

Global Precipitation Measurement (GPM) Mission Products and Services at the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC)

The NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC) hosts and distributes GPM data within the NASA Earth Observation System Data Information System (EOSDIS). The GES DISC is also home to the data archive for the GPM predecessor, the Tropical Rainfall Measuring Mission (TRMM). Over the past 17 years, the GES DISC has served the scientific as well as other communities with TRMM data and user-friendly services. During the GPM era, the GES DISC will continue to provide user-friendly data services and customer support to users around the world. GPM products currently and to-be available: -Level-1 GPM Microwave Imager (GMI) and partner radiometer products, DPR products -Level-2 Goddard Profiling Algorithm (GPROF) GMI and partner products, DPR products -Level-3 daily and monthly products, DPR products -Integrated Multi-satellitE Retrievals for GPM (IMERG) products (early, late, and final) A dedicated Web portal (including user guides, etc.) has been developed for GPM data (http://disc.sci.gsfc.nasa.gov/gpm). Data services that are currently and to-be available include Google-like Mirador (http://mirador.gsfc.nasa.gov/) for data search and access; data access through various Web services (e.g., OPeNDAP, GDS, WMS, WCS); conversion into various formats (e.g., netCDF, HDF, KML (for Google Earth), ASCII); exploration, visualization, and statistical online analysis through Giovanni (http://giovanni.gsfc.nasa.gov); generation of value-added products; parameter and spatial subsetting; time aggregation; regridding; data version control and provenance; documentation; science support for proper data usage, FAQ, help desk; monitoring services (e.g. Current Conditions) for applications. The United User Interface (UUI) is the next step in the evolution of the GES DISC web site. It attempts to provide seamless access to data, information and services through a single interface without sending the user to different applications or URLs (e.g., search, access, subset, Giovanni, documents).

precipitation↗
NASA NTRS2018

OMI/TROPOMI Data Support from GES DISC

The NASA GES DISC has been the official archive center for data from the Ozone Monitoring Instrument (OMI) aboard NASA's Aura mission since 2004. In recent years, the GES DISC has been evolving and improving its data management and services in order to promote its data to be easily discovered and accessed, as well as to facilitate data "interoperability". This presentation will summarize metrics collected of OMI data usage and GES DISC data services. In order to support the recently released Sentinel-5P/TROPOMI data from ESA at the NASA GES DISC, a new End User License Agreement (EULA) has been implemented for users accessing these data from the GES DISC.

Johnson, J.↗
NASA NTRS2019

Planetary Boundary Layer Height from AIRS, MERRA-2, and GPS Radio Occultation Data Products at NASA GES DISC, and Insights from Their Profiles Intercomparison

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) provides archive and distribution services for several data products in the Planetary Boundary Layer (PBL) category. As a new variable added to the Atmospheric Infrared Sounder (AIRS) Version 6 support product, the PBL height from AIRS is derived based on the gradients of the retrieved relative humidity profile, and provides the atmospheric pressure at the top of the PBL over the ocean. The GES DISC also hosts the Modern-Era Retrospective analysis for Research and Applications-2 (MERRA-2) product generated by the Goddard Earth Observing System Model Version 5 (GEOS-5) data assimilation system. The PBL height from MERRA-2 is based on the total eddy diffusion coefficient of heat. The monthly PBL height has been made available in the Giovanni system (Giovanni is a Web-based application developed by the GES DISC providing a simple and intuitive way to visualize, analyze, and access vast amounts of Earth science remote sensing data). Recently, the GES DISC began serving the global PBL height climatology product derived from the COSMIC/FORMOSAT-3 and TerraSAR-X Global Positioning System (GPS) radio occultation (RO) measurements from June 2006 to December 2015. In a previous study, we presented the monthly PBL height data from AIRS and MERRA-2 and demonstrated the GES DISC services which support data intercomparison, such as access, plotting, sub-setting, regridding, and generation of a multi-year monthly mean. We also provided intercomparison results, and found that different PBL height definitions contributed to significant differences of PBL height values between AIRS and MERRA-2. In this work, we present the 10-year seasonal climatologies from the AIRS, MERRA-2 and GPS-RO. We also used the cross section and vertical profile services in Giovanni to display and analyze the vertical atmosphere structure over regions where the PBL height derived from the AIRS and MERRA-2 are quite different. The examination of the AIRS and MERRA-2 three-dimensional data found that the relative humidity profiles had larger differences than the temperature profiles. The MERRA-2 gives more details than the AIRS for the vertical distribution of the humidity.

Ding, Feng↗
NASA NTRS2015

Global Precipitation Measurement (GPM) Mission Products and Services at the NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC)

On February 27, 2014, the NASA Global Precipitation Measurement (GPM) mission was launched to provide the next-generation global observations of rain and snow (http:pmm.nasa.govGPM). The GPM mission consists of an international network of satellites in which a GPM Core Observatory satellite carries both active and passive microwave instruments to measure precipitation and serve as a reference standard, to unify precipitation measurements from a constellation of other research and operational satellites. The NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC) hosts and distributes GPM data within the NASA Earth Observation System Data Information System (EOSDIS). The GES DISC is home to the data archive for the GPM predecessor, the Tropical Rainfall Measuring Mission (TRMM). Over the past 16 years, the GES DISC has served the scientific as well as other communities with TRMM data and user-friendly services. During the GPM era, the GES DISC will continue to provide user-friendly data services and customer support to users around the world. GPM products currently and to-be available include the following: 1. Level-1 GPM Microwave Imager (GMI) and partner radiometer products. 2. Goddard Profiling Algorithm (GPROF) GMI and partner products. 3. Integrated Multi-satellitE Retrievals for GPM (IMERG) products. (early, late, and final)A dedicated Web portal (including user guides, etc.) has been developed for GPM data (http:disc.sci.gsfc.nasa.govgpm). Data services that are currently and to-be available include Google-like Mirador (http:mirador.gsfc.nasa.gov) for data search and access; data access through various Web services (e.g., OPeNDAP, GDS, WMS, WCS); conversion into various formats (e.g., netCDF, HDF, KML (for Google Earth), ASCII); exploration, visualization, and statistical online analysis through Giovanni (http:giovanni.gsfc.nasa.gov); generation of value-added products; parameter and spatial subsetting; time aggregation; regridding; data version control and provenance; documentation; science support for proper data usage, FAQ, help desk; monitoring services (e.g. Current Conditions) for applications.In this presentation, we will present GPM data products and services with examples.

NASA GES DISC↗
NASA NTRS2017

New GES DISC Services Shortening the Path in Science Data Discovery

The Current GES DISC available services only allow user to select variables from a single dataset at a time and too many variables from a dataset are displayed, choice is hard. At American Geophysical Union (AGU) 2016 Fall Meeting, Goddard Earth Sciences Data Information Services Center (GES DISC) unveiled a new service: Datalist. A Datalist is a collection of predefined or user-defined data variables from one or more archived datasets. Our science support team curated predefined datalist and provided value to the user community. Imagine some novice user wants to study hurricane and typed in hurricane in the search box. The first item in the search result is GES DISC provided Hurricane Datalist. It contains scientists recommended variables from multiple datasets like TRMM, GPM, MERRA, etc. Datalist uses the same architecture as that of our new website, which also provides one-stop shopping for data, metadata, citation, documentation, visualization and other available services.We implemented Datalist with new GES DISC web architecture, one single web page that unified all user interfaces. From that webpage, users can find data by either type in keyword, or browse by category. It also provides user with a sophisticated integrated data and services package, including metadata, citation, documentation, visualization, and data-specific services, all available from one-stop shopping.

Datalist↗
NASA NTRS2018

NASA GES DISC Earth Science Data Support

It is the NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC) mission statement to facilitate data access and evaluation, as well as scientific exploration and discovery. Recently, GES DISC has been evolving and improving our data management and services in order to promote GES DISC data to be easily discovered, improve usage and made more interoperable with common tools. As a result, we will present a brief review of our recent data services at the GES DISC including our new science-data driven website, subsetting and resampling services across multitude of satellite processing levels, visualization services, and how we utilize social media tools to interact with user communities.

data support↗
DOE OSTI2023

Li 2 GeS 3 : Lithium Ionic Conductor with an Unprecedented Structural Type

Lithium-ion batteries (LIBs) are widely used in electric vehicles, mobile electronic devices, and large-scale stationary energy storage systems. However, their liquid electrolytes present significant safety concerns due to their inherent flammability. To address this, the focus has shifted toward all-solid-state batteries (ASSBs) utilizing inorganic solid electrolytes that promise enhanced safety. In this work, we report the discovery of a new crystal structural type of Li-ion conductor, Li 2 GeS 3 , with a unique structure, synthesized by a solid-state reaction from Li 2 S and GeS 2 . It was first reported in 2000 with an orthorhombic unit cell, but its detailed crystal structure remains veiled. Here, we have unveiled its structure for the first time, employing an ab initio structure determination technique from powder X-ray and time-of-flight neutron diffraction data. The compound has an unprecedented crystal structural type with a hexagonal $P6_1$ symmetry and a unit cell of α = 6.79364(4) Å and c = 17.90724(14) Å. Its structure is comprised of a distorted hexagonal close-packed arrangement of sulfur anions with three asymmetric metal atoms: Li1, Li2, and Ge are in tetrahedral cavities surrounded by sulfur atoms. The ionic conductivity of Li 2 GeS 3 was measured to be 1.63 × 10 –8 S cm –1 at 303 K and 2.45 × 10 –7 S cm –1 at 383 K. Bond valence energy landscape calculations revealed three-dimensional lithium diffusion pathways within the structure. This novel crystal structure in Li 2 GeS 3 holds the potential for developing high-performance ionic conductors through suitable chemical substitution and offers valuable insights into designing new ionic conductors for ASSBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗