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DOE OSTI2025

Continuous snow depth and temperature measurements from dense network of above-ground distributed temperature profiling systems from 2021-09-23 to 2024-08-23, Seward Peninsula, Alaska

The dataset contains temperature measurements from distributed temperature profiling (DTP) systems (Dafflon et al., 2022; Wielandt et al., 2022; Wang et al., 2024a; Fiolleau et al., 2024) deployed vertically above the ground surface at a large number of locations from 2021 to 2024. The research is designed to improve understanding of the local heterogeneity in snow depth and snow thermal insulation dynamics, as well as their interactions in a discontinuous permafrost region (Wang et al., 2025). The DTP systems were deployed at 96 locations in a watershed along the Nome-Teller road at mile marker 27 (T27) and at 54 locations on a hillslope along the Kougarok road at mile marker 64 (K64) in the Seward Peninsula, Alaska. The probe location information is stored in Probe_locations_T27.csv and Probe_locations_K64.csv. Temperature measurements were recorded at 15-minute intervals using high-precision digital sensors (accuracy: ±0.1°C, resolution: 0.0078°C). The temperature probes, either 1.4 m or 1.6 m long, contain sensors spaced every 5 cm or 10 cm along their length. The temperature data are stored in compressed files following the format: DTP_snow_air_temperature_(site)_(start)_(end).zip, where site is either T27 or K64, and start and end represent the time series period. Within each ZIP file, individual CSV files are named by probe ID and contain temperature records at different heights above the ground surface.This dataset also includes derived snow depth time series over three snow seasons, estimated from temperature measurements. Snow depth was estimated by identifying the consecutive sensor pair that exhibited the largest drop in high-frequency temperature fluctuations (detailed in the methods). These data are stored in: Snow_depths_flags_(site)_(start)_(end).csv, which includes snow depth time series and corresponding quality flags (defined in the methods) from different probes. Additionally, the dataset includes derived metrics and supporting measurements at selected locations over two snow seasons, contributing to the manuscript of Wang et al., 2025. These locations were chosen based on the availability of high-quality snow depth time series during both seasons. The additional data include: (1) Air temperature proxies measured from the top sensors on the pole when they were not buried by snow, stored in Air_temperature_proxies_(site)_(start)_(end).csv (2) Ground interface temperature, recorded at 3 cm above the ground, stored in Ground_interface_temperature_(site)_(start)_(end).csv (3) Site characteristics, including vegetation height, elevation, and the topographic position index (TPI) within a 50 m radius, stored in Selected_probe_locations_gps_vegheight_tpi_elevation_(site).csv. These metrics were derived from 1 m resolution summer LiDAR-based digital elevation models and digital surface models from Singhania et al., 2023, DOI:10.5440/1832016. Metadata files include data descriptions (_dd.csv) for tabular data. All included files are listed and described in xxxx_flmd.csv.This dataset is an updated version of a previous archive (Wang et al., 2024b, DOI: 10.15485/2475020), incorporating multiple seasons and improved snow depth estimation. Please note that due to large amount of information present in this dataset, many specificities associated with the acquisition of snow temperature, air temperature proxy and estimation of snow depth, and the future archiving of additional datasets on the soil temperature, thaw depth and soil characteristics at these locations, the author would welcome being contacted by people planning to use this dataset.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↗

DOE OSTI2022

Multifamily Air Leakage Evaluation: A Modular Case Study

The purpose of this case study is to compare the air leakage rates of modular and site-built multifamily dwelling units.

Air quality↗

DOE OSTI2020

Sustaining On-going Risk Communication at the Riverton, Wyoming, Processing Site - 20310

An environmental risk assessment report has been completed to provide an updated assessment regarding current site conditions for the Riverton, Wyoming, Processing site. Argonne National Laboratory conducted the assessment in collaboration with the U.S Department of Energy (DOE) Office of Legacy Management (LM) and the Northern Arapaho Natural Resources Office (NANRO). The data quality objectives process conducted confirmed that data from plants growing on the Riverton site would be useful and would address an outstanding concern. Data available from site soil, groundwater, and surface water were also used in the assessment in conjunction with the new plant data. A plant survey was then conducted in 2018 to identify the plants at the Riverton site with known traditional Native American cultural uses for sampling and analysis. Laboratory analysis was conducted on the plant samples for the contaminants of concern. Samples were collected from plants growing on the groundwater plume area of the site, and the same was done for eight other areas not affected by the groundwater plume but still within the institutional control boundary. These eight areas served as reference areas for this study. This human health and ecological assessment update provide the quantitative risk information that was qualitatively addressed in a 1995 Risk Assessment Report on plants, livestock, and surface water exposures at the Riverton site [1]. The conditions at the Riverton site are protective of human health and the environment given the results of the update, in combination with past completed remedial action and ongoing monitoring activities and IC implementation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Assessing the Role of Interfacial and Metal Sites in Pt/TiO2-Catalyzed Acetic Acid Hydrodeoxygenation

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

DOE OSTI2025

Examination of coal combustion management sites for microbiological and chemical signatures of groundwater impacts

Coal combustion accounts for 40% of the world’s electricity and generates more than a billion tons of coal combustion products (CCP) annually, half of which end up in landfills and impoundments. CCP contain mixtures of chemicals that can be mobile in the environment and impact the quality of surface water and potable groundwater. In this investigation, water samples from 14 coal combustion management sites across 4 physiographic regions in the United States, paired with background and down-gradient groundwater samples, were analyzed for water chemistry and microbiology. The objective was to determine if microbiology data alone, or supported by chemistry data, could reliably differentiate source waters and identify sites where CCP is known or expected to be influencing groundwater. Two percent of the total amplicons showed genus level conservation across CCP management sites, regions, and sample types; corresponding to ubiquitous, facultatively aerobic proteobacterial taxa that are generally recognized for the potential to respire using different terminal electron acceptors. Ordination plots did not reveal significant differences ( p > 0.05) in 16S rRNA gene amplicon diversity by CCP management site, water sample types, or physiographic regions. Contrastingly, chemistry distinguished sample types by standard water quality metrics (total dissolved solids, Ca:SO 4 ratio), alkali earth metals (K, Na, Li), selenium, boron, and fluoride. A focused evaluation of 16S rRNA gene amplicons for a subset of CCP management sites revealed microbiological features and chemical drivers (F, Ca, temperature) that positively identified the single CCP management site confirmed to have groundwater impacted by CCP leachate. At this site, 9 genera (>0.5% relative abundance) were exclusive to CCP porewater and downgradient groundwater. Inferred metabolisms for these taxa indicates potential for N and S biogeochemical transformations and 1-C metabolism that are consistent with a reducing environment, as evidenced by low ORP and depleted SO 4 2− . This research contributes to a growing understanding of conditions where these data types, analyses, and interpretation methods could be applied for distinguishing influence from CCP on the surrounding environment, as well as practical limitations.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2026

Post-fire time series photos from five sites across the Oak Creek watershed, Washington

This dataset supports a broader study examining wildfire impacts on hydrologic connectivity across 5 sites within the Oak Creek watershed and the resulting biogeochemical impacts. Sites were selected using the Advanced Terrestrial Simulator (ATS) hydrologic model to identify locations with varying groundwater contributions and hydrologic responses across different burn severity scenarios. The Retreat Fire burned from July 23 to August 2, 2024, affecting all five sites. This dataset provides time series game camera photos, while the broader study includes continuous water quality monitoring, biogeochemical sampling of water and soils, precipitation data, and organic matter analysis. The other data types and additional metadata (include site environmental information) can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3018020. Because this study is ongoing, this data package will be updated regularly to include newly collected photos. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) field protocol; and (6) folders of game camera photos. The game camera photos are organized by site with subfolders by month of collection. The field metadata contains a subset of the information collected that is most relevant to photo-processing. The full set of field metadata can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3018020. All files are .csv, .pdf, or .jpg.

Burn severity↗

DOE OSTI2023

Performance Audit Report: Automated Meteorological Monitoring Stations, Lawrence Livermore National Laboratory

The Waste and Air Quality Offices Group at the Lawrence Livermore National Laboratory operates two main meteorological monitoring sites near Livermore, California. The primary met tower (Site 200) is located in the northwest corner of the lab and consists of a fifty-two (52) meter tower with vertical wind speed sensors, horizontal wind speed and direction sensors and air temperature sensors at fifty-two (52) meters, twenty-three (23) meters and ten (10) meters. In addition, there is a temperature and humidity probe at ten (10) meters. At two (2) meters there are upward and downward facing solar and infrared radiation sensors, an air temperature sensor, barometric pressure sensor and a temperature and relative humidity probe. At ground level there is a tipping bucket rain gauge located to the southwest of the tower. The datalogger, communication peripherals and the barometric pressure sensor are housed in a small building near the tower. The Site 300 met site is located approximately 10 miles east of Livermore within the boundary of the LLNL blast test site. This site also consists of a 52-meter tower which is configured the same as the 52-meter tower at Site 200. There is also a building at this site that houses the datalogger, communication peripherals and the barometric pressure sensor. At both Site 200 and Site 300, data are collected by Ethernet with telephone modem collection as a backup. The data collection interval for both sites is fifteen (15) minutes via workstations running Loggernet software located at the main lab facility. The audits of the Lawrence Livermore National Laboratory’s two automated meteorological stations located near Livermore, California were performed on October 24 & 25, 2023. These audits were performed under the guidelines of the Quality Assurance Handbook for Air Pollution Measurement Systems, Volume IV, Version 2 and the On-Site Meteorological Program Guidance for Regulatory Modeling Applications, U.S. EPA.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Kilauea Magnetotelluric Dataset

In 2002 and 2003 a collaborative effort was undertaken between Lawrence Berkeley National Laboratory, Sandia National Laboratories, the USGS Menlo Park, the USGS Hawaiian Volcano Observatory, and Electromagnetic Instruments Inc. to study the Kilauea volcano in Hawaii using the magnetotelluric (MT) technique. The work was motivated by a desire to improve understanding of the magma reservoirs and conduits within Kilauea and the East and Southwest Rift zones, which has implications for understanding Kilaueas plumbing system. An improved understanding of the rift zones has implications in understanding large-scale landslides that are generated in the Hilina Slump, which produce significant impacts on coastal communities. Up to eight stations operated simultaneously, with multiple remote reference sites, and data were processed using multi-station robust processing techniques. In total, data were acquired at 70 sites over the Southwest and East rift zones. Good to excellent quality data were obtained even in the harshest conditions, such as those encountered on the fresh lava flows of the East Rift Zone (ERZ), where electrical contact resistances are on the order of 100 kOhm. This data supports the continuing efforts to increase geothermal power on the island of Hawaii. Each of the 70 EDI files are the MT impedance tensors for 1 site. There is also a description of the processing of the data and a site map showing the locations of each site.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

Resource Analysis of NP Kunta Solar Park Site (White Paper)

India has set a target of 175 GW of renewable energy (RE) capacity by 2022 and 450 GW by 2030. Flexibility is key for efficient integration of renewables. The modern-day RE plants are grid-friendly and can also provide this flexibility. A pilot to demonstrate this flexibility by implementing automatic generation control (AGC) at a solar plant is being done by the U.S. Agency for International Development (USAID) under USAID’s Greening the Grid (GTG) Program and Renewable Integration & Sustainable Energy (RISE) initiative. This paper presents the resource variability analysis of the 250-MW NP Kunta solar plant site where the AGC pilot project is being implemented. This paper also demonstrates the use of publicly available resource quality data, which can be utilized by various stakeholders to better understand the variability of any existing or potential RE site in India and possibly increase confidence in decisions or help to understand the impacts that can be expected.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Quantitative comparison of power production and power quality onshore and offshore: a case study from the eastern United States

Abstract. A major issue in quantifying potential power generation from prospective wind energy sites is the lack of observations from heights relevant to modern wind turbines, particularly for offshore where blade tip heights are projected to increase beyond 250 m. We present analyses of uniquely detailed data sets from lidar (light detection and ranging) deployments in New York State and on two buoys in the adjacent New York Bight to examine the relative power generation potential and power quality at these on- and offshore locations. Time series of 10 min wind power production are computed from these wind speeds using the power curve from the International Energy Agency 15 MW reference wind turbine. Given the relatively close proximity of these lidar deployments, they share a common synoptic-scale meteorology and seasonal variability with lowest wind speeds in July and August. Time series of power production from the on- and offshore location are highly spatially correlated with the Spearman rank correlation coefficient dropping below 0.4 for separation distances of approximately 350 km. Hence careful planning of on- and offshore wind farms (i.e., separation of major plants by > 350 km) can be used reduce the system-wide probability of low wind energy power production. Energy density at 150 m height at the offshore buoys is more than 40 % higher, and the Weibull scale parameter is 2 m s−1 higher than at all but one of the land sites. Analyses of power production time series indicate annual energy production is almost twice as high for the two offshore locations. Further, electrical power production quality is higher from the offshore sites that exhibit a lower amplitude of diurnal variability, plus a lower probability of wind speeds below the cut-in and of ramp events of any magnitude. Despite this and the higher resource, the estimated levelized cost of energy (LCoE) is higher from the offshore sites mainly due to the higher infrastructure costs. Nonetheless, the projected LCoE is highly competitive from all sites considered.

Foody, Rebecca↗

DOE OSTI2023

Determination of the vacancy distribution over Al cation sites in γ-Al 2 O 3

Although gamma-alumina (γ-Al 2 O 3 ) is an extensively used material with wide-ranging applications due to its inherently high surface area and acidity, its atomic structure is still not fully understood. γ-Al 2 O 3 is described as having a spinel-like structure, where the O sublattice has a face-centered cubic (FCC) arrangement and Al cations are placed in the spinel tetrahedral and octahedral interstitial sites. Achieving the correct stoichiometry of Al 2 O 3 , however, requires the introduction of Al vacancies into some of the interstitial sites. Despite the importance of accurately describing the structure of γ-Al 2 O 3 , the distribution of vacancies between tetrahedral and octahedral sites remains unclear, in part because of the usually poor crystalline quality of γ-Al 2 O 3 that has often been used in previous studies. To determine the actual cation distribution in γ-Al 2 O 3 , single-crystalline γ-Al 2 O 3 was investigated using a correlative approach of experimental and simulated selected-area electron diffraction (SAED) and high-resolution electron energy-loss spectroscopy (EELS). Comparison of the reflection intensities in single-crystal SAED to simulated SAED from models with varied vacancy distributions revealed that vacancies exist primarily on tetrahedral sites, contrary to the placement of vacancies on octahedral sites proposed in several common models. Comparison of EELS spectra—acquired with the highest energy resolution reported so far for γ-Al 2 O 3 —with ab initio multiple scattering EELS simulations confirmed the distribution of vacancies on tetrahedral sites. These results enable more accurate modeling of γ-Al 2 O 3 to better predict its properties in existing and future applications.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Optimal CO 2 storage management considering safety constraints in multi-stakeholder multi-site GCS projects: A Markov game perspective

Geological carbon storage (GCS) projects could involve a diverse array of stakeholders or players from public, private, and regulatory sectors, each with different objectives and responsibilities. Given the complexity, scale, and long-term nature of GCS operations, determining whether individual stakeholders can independently optimize their interests — or whether collaborative coalition agreements are needed — remains a central question for effective GCS project planning and management. To access large, high-quality storage resources, future GCS deployment may increasingly occur in geologically connected sites, where shared geological features such as pressure space and reservoir pore capacity can lead to competitive behavior among stakeholders. In this work, we propose a paradigm based on Markov games to quantitatively investigate how different coalition structures affect the goals of stakeholders. We frame this multi-stakeholder multi-site problem as a multi-agent reinforcement learning problem with safety constraints. Our approach enables agents to learn optimal strategies while complying with safety regulations. We present an example where multiple operators are injecting CO 2 into their respective project areas in a geologically connected basin. To address the high computational cost of repeated simulations of high fidelity models, a previously developed surrogate model based on the Embed-to-Control (E2C) framework is employed. Our results demonstrate the effectiveness of the proposed framework in addressing optimal management of CO 2 storage when multiple stakeholders with different objectives and goals are involved.

58 GEOSCIENCES↗

DOE OSTI2025

Importance of Considering Near-Surface Attenuation in Earthquake Source Parameter Estimation: Insights from Kappa at a Dense Array in Oklahoma

ABSTRACT Separating earthquake source spectra from propagation effects is challenging. The propagation effect contains a site-dependent term related to the high attenuation of shallow sediments. Neglecting the site-dependent attenuation can cause large biases and scattering in the corner-frequency (fc) estimates, resulting in significant stress-drop deviations. In this study, we investigate shallow attenuation at the LArge-n Seismic Survey in Oklahoma (LASSO) and site-related biases and scattering in source parameter measurements due to simplified attenuation models. We measure the high-frequency spectral decay parameter kappa on the vertical acceleration spectra of regional earthquakes (125 km away). The site-dependent kappa (κ0,acc) suggests that attenuation increases rapidly at shallow depth and is highly site-dependent. 10%–75% of the attenuation is site-dependent for S waves and even larger for P waves. The quality factor for S waves (QS) ranges from 10 to 100 in the upper 400 m. QP for P waves is mostly below 10 within the same depth. The Quaternary sediments tend to be more attenuating (QS<30), but the Permian rocks also can have high attenuation. We demonstrate that using a non-site-dependent attenuation model in single-spectra fitting leads to large scattering in fc estimates among stations with apparent good fits. The apparent fc can significantly deviate when the range of site-dependent kappa is large or with a higher assumed source spectral fall-off rate n. The biases in apparent fc depend on site condition and distance; however, the correlation between fc and these factors might not be obvious, depending on model assumptions. An apparent increase of stress drop with magnitude in a previous study for local microearthquakes (1.3

Chang, Hilary↗

DOE OSTI2023

Assessing the Role of Interfacial and Metal Sites in Pt/TiO2-Catalyzed Acetic Acid Hydrodeoxygenation

Thermochemical conversion of biomass to produce drop-in quality biofuels typically involves hydrodeoxygenation (HDO) steps following catalytic fast pyrolysis (CFP) to remove excess oxygen and create a more-stable bio-oil product. HDO reactions are performed by co-feeding the CFP vapor-phase product and H2 gas over a bi-functional catalyst. Noble-metal catalysts supported on reducible metal oxides (e.g., Pt/TiO2) are active and selective toward these HDO reactions. Griffin and co-workers showed that Pt/TiO2 catalysts promote the desired deoxygenation steps for m-cresol HDO while mitigating undesired C-C bond-breaking steps that reduce the overall value/energy density of the biofuel. Such model-compound studies to inform the design of improved catalysts for HDO chemistry are necessary to improve the overall process economics/efficiencies for biofuels production. One important class of bio-derived compounds that has not been studied extensively with respect to HDO chemistry, particularly at the atomic level, is carboxylic acids. Past experimental work indicates that Pt/C and Pt/TiO2 catalysts are selective toward C-C and C-O bond-dissociation products for acetic acid HDO, respectively. To understand the role of Pt/TiO2 active sites in this observed change in selectivity and guide catalyst development, the work in this presentation focuses on modeling the role of Pt-metal and Pt-TiO2-interfacial sites in promoting key C-C bond-breaking, C-O bond-breaking, and (de)hydrogenation steps in acetic acid HDO. Density functional theory (DFT) calculations were performed using the Vienna Ab initio Simulation Package (VASP). The exchange-correlation functional was approximated by the Perdew-Burke-Ernzerhof functional. Dispersion interactions were captured using the D3 method. Projector augmented-wave potentials described electron-ion interactions, and electron wavefunctions were expanded via a planewave basis with an energy cutoff of 500 eV. Activation barriers were calculated using the climbing image nudged elastic band method. Results and Discussion: To discern the role of Pt-metal and Pt-TiO2 interface sites in promoting acetic acid HDO chemistry, Pt(111) slab and anatase TiO2(101)-supported Pt-nanowire (PtNW/OH-TiO2) surface models were constructed, respectively. Because H2 is co-fed in HDO reactions, the anatase support was terminated with OH groups. Interfacial vacancies have been shown to facilitate Ru/TiO2-catalyzed phenol HDO; thus, an interfacial model with an OH vacancy was also considered (PtNW/OHv-TiO2). Pt-TiO2-interface sites stabilize adsorption of all studied acetic acid HDO surface intermediates relative to terrace Pt-metal sites, particularly when an interfacial-OH vacancy is present. Oxygenated species prefer to bind at the OH vacancy through the O atom, suggesting a preference for C-O over C-C bond cleavage at these sites. This hypothesis is supported by net-negative and net-positive average shifts in the reaction energy and activation energy barriers for C-O and C-C bond-breaking steps, respectively, at Pt-TiO2-interface sites relative to Pt-metal sites. Using the calculated energetics, the predicted minimum-energy pathway was determined for each surface. Pt(111) is predicted to follow decarboxylation, producing undesired methane and carbon dioxide. Conversely, PtNW/OH-TiO2 and PtNW/OHv-TiO2 are both predicted to produce desired acetaldehyde and ethane. The interfacial vacancy may also play a key role in facilitating the first C-O bond-breaking step in acetic acid HDO, lowering the barrier by 0.6 eV relative to the defect-free interface model. These results demonstrate the critical role of the Pt-TiO2 interface in the shift in acetic acid HDO selectivity experimentally observed on Pt/C and Pt/TiO2 catalysts. The results herein demonstrate the important role of the Pt-TiO2 interface and interfacial oxygen vacancies in improving the carbon efficiency for HDO reactions in CFP upgrading.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

DOE OSTI2024

Size and Structure Effects of Carbon-Supported Ruthenium Nanoparticles on Waste Polypropylene Hydrogenolysis Activity, Selectivity, and Product Microstructure

Hydrogenolysis of plastic waste using Ru-based catalysts is promising for deconstructing polyolefins into lower molecular weight products. Yet, the effect of catalyst atomic structure and size on activity and product selectivity is poorly understood. Herein, we expose the effect of metal particle size and atomic structure on isotactic-polypropylene (i-PP) hydrogenolysis over Ru supported on carbon. Despite similar molecular weight distributions of solid and liquid products, their physical properties are distinct due to different chain regio-irregular CH3 sequences of steric pentads containing racemo configurations. We propose that i-PP hydrogenolysis entails an interplay of C–C bond scission and stereoisomerization. The active site’s local electronic environment and structure dictate the former, whereas polymer–catalyst surface interactions creating suitable polymer conformations control the latter. C–C scission and stereoisomerization are structure-sensitive. Small, disordered nanoclusters are effective in C–C bond scission, whereas larger metal nanoparticles promote stereoisomerization. Finally, we hypothesize that a heterogeneous distribution of metal active sites is essential for deconstruction and product (lubricant base oil) quality control.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Tetracene Functionalized Si(111) Achieves Enhanced Solar-to-Chemical Energy Conversion via Molecular Acceptor States

The properties of semiconductor|liquid interfaces play a critical role in determining the efficiency of solar-to-hydrogen (STH) conversion. Here, we investigate how molecular functionalization of Si(111) and Si(111)|TiO 2 surfaces impacts photoelectrochemical (PEC) hydrogen production efficiency. We find that functionalization of ∼3% of the atop sites of Si(111) with either 9-anthracene (Anth) or 5-tetracene (Tet), with the remaining sites passivated by methyl groups, provides substrates with high electronic quality and low surface oxide densities, as determined by X-ray photoelectron spectroscopy (XPS) measurements. Surface photovoltage (SPV) spectroscopy shows that surfaces modified with Anth or Tet exhibit an increased photovoltage, with Tet-functionalized surfaces yielding an additional 192 meV relative to methyl-terminated Si(111), indicating improved charge separation for Si-Tet. Further improvement in onset potential was achieved by replacing a nitrogen-containing TiO 2 atomic layer deposition (ALD) precursor (TDMAT) with a precursor lacking nitrogen (TTIP), which eliminates the parasitic defect band in the TiO 2 overlayer (p-Si(111)-Tet|TTIP-TiO 2 |Pt: V OC = +0.283 ± 0.041 V vs RHE). Density functional theory (DFT) analysis demonstrates that compared with Anth-modified Si(111), the Tet-modified surface exhibits more hybridized Si(111)-Tet states closer to the silicon band edges. Mercury contact current–voltage (I–V, dark) measurements quantified the relative interfacial density of states of Si-Tet, Si-Anth and Si-Me surfaces─revealing that the interfacial state density was highest for Si-Tet. This suggests that such hybridized interfaces serve to capture better photoexcited charge, which enables facile electron transfer to molecular acceptors in solution. Altogether, the data indicate that beneficial hybrid molecular LUMO surface states interacting with the Si conduction band edge results in improved hydrogen evolution (HER) performance for p-Si devices.

Group theory↗

DOE OSTI2022

Tracking Volumetric Units in Modular Factories for Automated Progress Monitoring Using Computer Vision

The construction industry is increasingly adopting off-site and prefabricated methods due to advantages offered in safety, quality, and lead time. Applying industrialized methods for plant management in offsite construction factories requires the collection of large volumes of production process data, which is a tedious task when performed manually. Recent attempts to automate this process have relied on sensor-based data collection methods which are susceptible to noise, expensive, and difficult to validate. Computer vision methods, however, enable process data collection from videos without the limitations of the other sensor-based methods. This technology has not been applied for offsite construction except in very few instances and therefore, this study proposes a novel method to reliably collect the production process data using computer vision method in near real-time from widely used surveillance cameras in offsite construction. The proposed method allows the user to annotate the workstations of interest on the video as ground truths and process these areas throughout the entire video to track the units entering and leaving stations, while continuously updating a near real-time schedule of the production line. This framework was validated by implementing on the surveillance videos of the production process of modular home manufacturing in a factory. The results consistently provided 100% accuracy, after denoising, for all the videos processed including 60 h of work for a station. The developed method enables real-time tracking of station performance, which can enable continuous improvement methods for factory management and resource allocation.

computer vision↗

DOE OSTI2025

Recovering new viruses from New Mexico soils

Here, we utilized metagenomic and size-filtered virome sequencing to recover 4,157 medium, high, or complete quality viral genomes from soils taken from three high elevation sites in New Mexico, USA. Among recovered viral genomes, 90% were from size-filtered samples, indicating the importance of this enrichment in assessments of complex viromes.

59 BASIC BIOLOGICAL SCIENCES↗