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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.

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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Structure of the Clean and Oxygen-Covered Cu(100) Surface at Room Temperature in the Presence of Methanol Vapor in the 10–200 mTorr Pressure Range

Using ambient pressure X-ray photoelectron spectroscopy (APXPS) and high pressure scanning tunneling microscopy (HPSTM), we show that in equilibrium with 0.01–0.2 Torr of methanol vapor, at room temperature, the Cu(100) surface is covered with methoxy species forming a c(2 × 2) overlayer structure. In contrast, no methoxy is formed if the surface is saturated with an ordered oxygen layer, even when the methanol pressure is 0.2 Torr. At oxygen coverages below saturation, methanol dissociates and reacts with the atomic oxygen, producing methoxy and formate on the surface, and formaldehyde that desorbs to the gas phase. Unlike the case of pure carbon monoxide and carbon dioxide, methanol does not induce the restructuring of the Cu(100) surface. These results provide insight into catalytic anhydrous production of aldehydes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

MoS 2 Liquid Cell Electron Microscopy Through Clean and Fast Polymer-Free MoS 2 Transfer

Two dimensional (2D) materials have found various applications because of their unique physical properties. For example, graphene has been used as the electron transparent membrane for liquid cell transmission electron microscopy (TEM) due to its high mechanical strength and flexibility, single-atom thickness, chemical inertness, etc. Here, we report using 2D MoS 2 as a functional substrate as well as the membrane window for liquid cell TEM, which is enabled by our facile and polymer-free MoS 2 transfer process. This provides the opportunity to investigate the growth of Pt nanocrystals on MoS 2 substrates, which elucidates the formation mechanisms of such heterostructured 2D materials. We find that Pt nanocrystals formed in MoS 2 liquid cells have a strong tendency to align their crystal lattice with that of MoS 2 , suggesting a van der Waals epitaxial relationship. Importantly, we can study its impact on the kinetics of the nanocrystal formation. Here, the development of MoS 2 liquid cells will allow further study of various liquid phenomena on MoS 2 , and the polymer-free MoS 2 transfer process will be implemented in a wide range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Criegee Intermediates Compete Well with OH as a Cleaning Agent for Atmospheric Amides

Elucidating the chemical kinetics of stabilized Criegee intermediates (sCIs) in the atmosphere is critically important for climate modeling. Here, we report a class of very rapid bimolecular reactions of two sCIs, namely, CH 2 OO and syn-CH 3 CHOO, with amides. We used electronic structure calculations and kinetics calculations to elucidate a universal mechanism by which the oxygen atom of the carbonyl group in an amide is added to the carbon atom of the COO group in the sCI with simultaneous transfer of the amide hydrogen to the terminal oxygen atom of the carbonyl oxide of the sCI. The barriers for the mechanism are submerged below reactants by ∼9 kcal/mol, which means that the tight transition state is not the rate-determining step, and the rate constants are determined by loose free energy bottlenecks between the reactants and the precursor complexes. We calculate the rate constants due to these loose and barrierless transition states by variable-reaction-coordinate variational transition-state theory. We find that bimolecular reactions of sCIs with amides are very rapid, with rate constants 1 to 5 × 10 –10 cm 3 molecule –1 s –1 , which is a factor of 2 faster than the rate constants of carboxylic acids with sCIs and 10 2 faster than the rate constants of OH reactions with amides. This has the consequence that, under a wide range of conditions, sCIs are the major sink for atmospheric amides, in contrast to the usual assumption that OH radicals are the dominant sinks.

Amides↗
DOE OSTI2012

Clean Nanotube Unzipping by Abrupt Thermal Expansion of Molecular Nitrogen: Graphene Nanoribbons with Atomically Smooth Edges

We report a novel physicochemical route to produce highly crystalline nitrogen-doped graphene nanoribbons. The technique consists of an abrupt N2 gas expansion within the hollow core of nitrogen-doped multiwalled carbon nanotubes (CNx-MWNTs) when exposed to a fast thermal shock. The multiwalled nanotube unzipping mechanism is rationalized using molecular dynamics and density functional theory simulations, which highlight the importance of open-ended nanotubes in promoting the efficient introduction of N2 molecules by capillary action within tubes and surface defects, thus triggering an efficient and atomically smooth unzipping. The so-produced nanoribbons could be few-layered (from graphene bilayer onward) and could exhibit both crystalline zigzag and armchair edges. In contrast to methods developed previously, our technique presents various advantages: (1) the tubes are not heavily oxidized; (2) the method yields sharp atomic edges within the resulting nanoribbons; (3) the technique could be scaled up for the bulk production of crystalline nanoribbons from available MWNT sources; and (4) this route could eventually be used to unzip other types of carbon nanotubes or intercalated layered materials such as BN, MoS2, WS2, etc.

Chemistry↗
DOE OSTI2021

Surface Brightening in Eastern and Central China Since the Implementation of the Clean Air Action in 2013: Causes and Implications

Surface brightening has been observed in China since 2005. However, it remains unclear whether the brightening has accelerated recently in response to the strictest ever air pollution control policies since 2013. By combining intensive surface and satellite observations, we find an unprecedented rapid increasing trend in surface solar radiation (SSR) of 0.70–1.16 W m-2 yr-1 over the eastern and central China for 2014–2019. Using a novel method to identify the relative contributions of aerosol and cloud radiative effects to the SSR trends, we find that the strongly declining aerosol radiative effect due to the strict air pollution controls is the main cause of the upward SSR trends; cloud variations should not be the main reason. Distinction exists in seasonal trends of SSR, with decreasing trends in winter and increasing trends in other seasons. Air pollution controls play an important role in regulating SSR, which has valuable implications for photovoltaic power generation.

Shi, Hongrong↗
DOE OSTI2026

Strategizing emission cuts in China to mitigate short-term warming from clean air policies

Aerosol-cloud interactions remain one of the largest sources of uncertainty in estimates of anthropogenic climate forcing. Reducing aerosols to achieve air quality improvement and climate goals can cause unintended warming due to the weakening of aerosol cooling. Here we investigate the climate impacts of spatially optimized sulfur dioxide (SO 2 ) emission reduction under a carbon-neutral pathway in China. We find that targeting reduction in highly polluted regions in China significantly suppresses the rise in effective radiative forcing due to aerosol-cloud interactions (ERF aci ) during 2020–2060. Owing to the nonlinear aerosol-cloud interaction, the optimized emission reduction strategy limits the regional average increase in ERF aci of more than 0.89 W m −2 to less than 0.13 W m −2 in the short-term future during 2020–2040 and weakens the ERF aci increase by two-thirds in 2060 over China. These findings demonstrate the critical role of targeted emission control in mitigating short-term climate risks while pursuing air quality goals.

Zhu, Yitong [Nanjing Univ. of Information Science ↗
DOE OSTI2021

Cleaning cars, grid and air

This "news and views" article provides scientific context for an accepted article in this journal that examines the cost and air pollutant emission implications of reducing net CO2 emissions from New York City’s transportation sector.

Smith, Steven J.↗
DOE OSTI2024

Evaluating community solar as a measure to promote equitable clean energy access

Rooftop and community solar are alternative product classes for residential solar in the United States. Community solar, where multiple households buy solar from shared systems, could make solar more accessible by reducing initial costs and removing adoption barriers for renters and multifamily building occupants. Here we test whether community solar has expanded solar access in the United States. On the basis of a sample of 11 states, we find that community solar adopters are about 6.1 times more likely to live in multifamily buildings than rooftop solar adopters, 4.4 times more likely to rent and earn 23% less annual income. In this study, we do not find that community solar expands access in terms of race. These differences are driven, roughly evenly, by inherent differences between the two solar products and by policies to promote low-income community solar adoption. The results suggest that alternative solar products can expand solar access and that policy could augment such benefits.

14 SOLAR ENERGY↗
DOE OSTI2025

Informed Investments in Clean Energy Technologies

Governments and companies face consequential decisions about allocating resources to the research, development, demonstration and deployment of energy technologies to meet environmental, economic and social goals. Here we discuss how research insights can inform and potentially improve these decisions to make effective use of limited resources and time in shaping the next-generation energy infrastructure. We outline three key research steps: forecasting technological change, relating investments to economic, social and environmental outcomes and informing decision-making processes. We recommend advances to address uncertainty as well as to make methods and results more practicable, emphasizing the importance of model validation, streamlining and interactivity. Progress has been made, yet further work is needed-for example, in the development of reduced-order, testable models and more comprehensive data collection. Overall, this research is beginning to inform decisions but could be adopted more widely by governments and the private sector to help support technological progress for energy affordability, equitable climate change mitigation, health benefits and other objectives.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Accelerating the discovery of materials for clean energy in the era of smart automation

The discovery and development of novel materials in the field of energy are essential to accelerate the transition to a low-carbon economy. Bringing recent technological innovations in automation, robotics and computer science together with current approaches in chemistry, materials synthesis and characterization will act as a catalyst for revolutionizing traditional research and development in both industry and academia. This Perspective provides a vision for an integrated artificial intelligence approach towards autonomous materials discovery, which, in our opinion, will emerge within the next 5 to 10 years. The approach we discuss requires the integration of the following tools, which have already seen substantial development to date: high-throughput virtual screening, automated synthesis planning, automated laboratories and machine learning algorithms. In addition to reducing the time to deployment of new materials by an order of magnitude, this integrated approach is expected to lower the cost associated with the initial discovery. Furthermore, the price of the final products (for example, solar panels, batteries and electric vehicles) will also decrease. This in turn will enable industries and governments to meet more ambitious targets in terms of reducing greenhouse gas emissions at a faster pace.

36 MATERIALS SCIENCE↗