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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Near-field radiative heat transfer between irregularly shaped dielectric particles modeled with the discrete system Green's function method

Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO 2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function (DSGF) approach, which is a volume integral numerical method based on fluctuational electrodynamics. This method is applicable to finite, three-dimensional objects, and all system interactions are defined independent of thermal excitation by a generalized system Green's function. The DSGF method is deemed suitable to model NFRHT between irregularly shaped particles after verification against the analytical solution for chains of two and three SiO 2 spheres. The NFRHT results reveal that geometric irregularity in particles leads to a reduction of the total conductance from that of comparable perfect spheres at vacuum separation distances smaller than the particle size, a regime in which NFRHT is a surface phenomenon. At vacuum separation distances larger than the particle size, NFRHT becomes a volumetric process, and the total conductance between irregularly shaped particles converges to that of comparable perfect spheres. Spectral analysis reveals, however, that particle irregularity leads to damping and broadening of resonances at all separation distances, thereby highlighting the importance of the DSGF method for spectral engineering in the near field. The reduced spectral coherence when particle size is larger than the vacuum separation distance is attributed to coupling of surface phonon-polaritons within the randomly generated, distorted particle features. For particle size smaller than the vacuum separation distance, resonance broadening and damping are linked with the multiple localized surface phonon modes supported by the composite spherical harmonic morphologies of the Gaussian random spheres. In conclusion, this paper has direct implications for thermal management of packed particle systems, with applications in radiative property control, electronics, energy conversion, and nanomanufacturing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Ab initio simulations of liquid electrolytes for energy conversion and storage

Understanding physicochemical properties of liquid electrolytes is essential for predicting and optimizing device performance for a wide variety of emerging energy technologies, including photoelectrochemical water splitting, supercapacitors, and batteries. We review recent progress and open challenges in predicting structural, dynamical, and electronic properties of the liquids using first-principles approaches. We briefly summarize the basic concepts of first-principles molecular dynamics (FPMD), and we discuss how FPMD methods have enriched our understanding of a number of liquids, including aqueous solutions, organic electrolytes and ionic liquids. We also discuss technical challenges in extending FPMD simulations to the study of liquid electrolytes in more complex environments, including the interface between electrolytes and electrodes, which is a key component in many energy storage and conversion systems.

25 ENERGY STORAGE↗
NASA NTRS1990

The conversion of lignocellulosics to fermentable sugars: A survey of current research and application to CELSS

An overview of the options for converting lignocellulosics into fermentable sugars as applied to the Closed Ecological Life Support System (CELSS) is given. A requirement for pretreatment is shown as well as the many available options. At present, physical/chemical methods are the simplest and best characterized options, but enzymatic processes will likely be the method of choice in the future. The use of pentose sugars by microorganisms to produce edibles at levels comparable to conventional plants is shown. The possible use of mycelial food production on pretreated but not hydrolyzed lignocelluloscis is also presented. Simple tradeoff analysis among some of the many possible biological pathways to regeneration of waste lignocellulosics was undertaken. Comparisons with complete oxidation processes were made. It is suggested that the NASA Life Sciences CELSS program maintain relationships with other government agencies involved in lignocellulosic conversions and use their expertise when the actual need for such conversion technology arises rather than develop this expertise within NASA.

Petersen, Gene R.↗
DOE OSTI2024

Multi-catalytic active site biochar-based catalysts for glucose isomerized to fructose: Experiments and density functional theory study

In this study, this work provides an innovative method for preparing different isomerization catalysts by impregnating different proportions of MgCl 2 and AlCl 3 and combining different K compounds on cellulose-derived biochar, followed by pyrolysis. Results show MgO and Al(OH) 3 existing in 4 Mg- 1 Al-C catalyst can obtain better catalytic effect on glucose isomerization than the singe of Al presenting in 0 Mg- 1 Al-C catalyst. Moreover, the synergism effects of the multi-catalytic active sites such as β-, γ -Al(OH) 3 , KCl, MgO, and K 4 H 2 (CO 3 ) 3 in Mg-Al-KHCO 3 -C catalyst can further lead to an increase in glucose isomerization, compared to the 4 Mg- 1 Al-C catalyst. The X-ray diffraction results present that the value of O/Al in Mg-Al-KHCO 3 -C catalyst is as high as 13.38, which provides many unsaturated acidic catalysis sites and benefits the glucose isomerization. Simultaneously, the TPD results reveal that the main active sites (MgO, Al(OH) 3 , and K 4 H 2 (CO 3 ) 3 ) in Mg-Al-KHCO 3 -C catalyst can provide weakly acidic and basic sites and avoid strongly acidic and basic sites to excessively attack the glucose. Based on the DFT analysis, the results indicate that the MgO has a great effect on the ring-opening reaction to form acyclic glucose, while Al(OH) 3+ has a great effect on promoting acyclic glucose hydrogen transfer isomerized to form fructose. Compared to other carbon-based metal catalysts, the prepared Mg-Al-KHCO 3 -C has excellent catalytic performance, which gives a higher fructose yield (38.7%) and selectivity (87.72%) and glucose conversion (44.12%) at 100 °C in 30 min. In this study, we develop a highly efficient Mg-Al-K-biochar catalyst for glucose isomerization and provide an efficient method for cellulose valorization.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Microgravity Experiments of Solid Waste Conversion into Useful Commodities

This Summer I participated in two projects at Kennedy Space Center in Cape Canaveral, Florida. The projects focus on the NASA's Deep Space Gateway applications for future Mars travel. All of these projects use recycling technology to use resources found on Earth and on other planets for fuel and other environmental applications. The first project I took the lead on is “Plasma Arc Gasification.” Plasma is a high temperature and very efficient way to process waste to create usable byproducts. The plasma chamber in temperature is comparable to that of the sun and this energy will help create an environment in which the waste can be recycled properly for not only plant support, but also for possible fuel application as well. I preformed the tests in a quartz tube, which is used to hold the waste (cotton, plastics, nylon, paper and a human waste simulant) and the waste is then combusted using O2 (present in air) into gases such as H2, H2O, CH4 and CO2. I determined which gases are present using a Fourier-transform infrared spectroscopy (FTIR) machine, which analyzes the peaks of the gases using liquid nitrogen. Problems arose in the beginning from the reactor emitting electromagnetic waves (EMI) that interfered with the technology of the experiment, specifically the thermocouples. This was solved through multiple tests with the positioning of the thermocouple power supply further away from the plasma reactor. I worked with another intern, Daniel Santander, who developed a space plant chamber which uses CO2 and H2O (harvested from the plasma reactor) to grow plants in space. The chamber possess a CO2 monitor, which controls the amount of gas that enters the chamber, along with a water integration system to supply the amount of water needed for proper plan growth. This technology will then be used for plant growth in space for the Astronauts on future space flights and possibly on the International Space Station (ISS). The second project I worked on is the “Orbital Syngas / Commodity Augmentation Reactor (OSCAR)” which focuses on the issues experienced in long-duration space flight regarding waste disposal. In previous space flight missions, waste was stored on board and returned to Earth for disposal. This technique is not applicable to long space flight missions to Mars due to the rocket being months away from Earth. OSCAR is using microgravity waste disposal techniques to produce fuels from the recycled waste. The waste is converted to syngas through a thermal degradation process. This process helps create an environmentally friendly way to dispose and reuse trash on board the space craft. Currently waste is being tested in the form of cotton and plastics. OSCAR is designed as a microgravity reactor that is currently being tested in a drop tower rig at Glenn Research Center. I helped design the 3D model for the insulation that will line the reactor. The first few trials, I dissolved the plastic of the mold in acetone. This method worked, but was very costly. I then received a silicone material to construct the mold from Swamp Works here at Kennedy. Through multiple trials with the silicone, this method worked best for developing the end pieces of the insulation for the chamber.

Plasma↗
NASA NTRS1977

Novel silicon crystals and method for their preparation

Plate shaped silicon crystals and their preparation by pouring a silicon melt into a suitable mold and then allowing it to solidify in a temperature gradient were investigated. The production of energy by direct conversion of solar energy into electrical energy by means of solar cells takes on increasing importance. While this type of energy production is already the prevailing form today in the realm of satellite technology, its terrestrial application has thus far encountered strict limitations owing to the high price of such solar cells. Of the greatest interest in this connection are silicon cells. A substantial reduction in the semiconductor material costs and the costs involved in the further processing to make solar cells are prerequisites for a rational market growth for solar energy.

Authier, B.↗
DOE OSTI2022

Alloy based electrochemical catalyst for conversion of carbon dioxide to hydrocarbons

An electrocatalyst comprising (i) carbon nanospikes and (ii) copper alloy nanoparticles containing copper and at least one noble metal and residing on and/or between the carbon nanospikes. Also disclosed herein is a method of producing the electrocatalyst. Also described herein is a method for converting carbon dioxide into hydrocarbons by use of the above-described electrocatalyst. The method for producing hydrocarbons more specifically involves contacting the electrocatalyst with an aqueous solution of a bicarbonate salt while the aqueous solution is in contact with a source of carbon dioxide, and electrically powering the electrocatalyst as a cathode at negative potential condition while the cathode is in electrical communication with a counter electrode electrically powered as an anode, to convert the carbon dioxide into hydrocarbons containing at least four carbon atoms and composed of only carbon and hydrogen.

Rondinone, Adam J.↗
DOE OSTI2018

Techno-economic analysis of jet-fuel production from biorefinery waste lignin

Utilizing lignin feedstock along with cellulosic ethanol for the production of high-energy-density jet fuel offers a significant opportunity to enhance the overall operation efficiency, carbon conversion efficiency, economic viability, and sustainability of biofuel and chemical production. A patented catalytic process to produce lignin-substructure-based hydrocarbons in the jet-fuel range from lignin was developed. Comprehensive techno-economic analysis of this process was conducted through process simulation in this study. The discounted cash flow rate of return (DCFROR) method was used to evaluate a 2000 dry metric ton/day lignocellulosic ethanol biorefinery with the co-production of lignin jet fuel. The minimum selling price of lignin jet fuel at a 10% discount rate was estimated to be in the range of $6.35-$1.76/gal depending on the lignin and conversion rate and capacity. With a production capacity of 1.5-16.6 million gallon jet fuel per year, capital costs ranged from $38.0 to $39.4 million. On the whole, the co-production of jet fuel from lignin improved the overall economic viability of an integrated biorefinery process for corn ethanol production by raising co-product revenue from jet fuels.

09 BIOMASS FUELS↗
DOE OSTI2019

Determining the Reliability of Measuring Mercury Cycling Gene Abundance with Correlations with Mercury and Methylmercury Concentrations

Methylmercury (MeHg) is a bioaccumulative toxic contaminant in many ecosystems but factors governing its production are poorly understood. Recent work has shown that the anaerobic microbial conversion of mercury (Hg) to MeHg requires the Hg-methylation genes hgcAB and that these genes can be used as biomarkers in PCR-based estimators of Hg-methylator abundance. In an effort to determine reliable methods for assessing hgcA abundance and diversity and linking it to MeHg concentrations, multiple approaches were compared including metagenomic shotgun sequencing, 16S rRNA gene pyrosequencing and cloning/sequencing hgcAB gene products. Hg-methylator abundance was also determined by quantitative hgcA qPCR amplification and metaproteomics for comparison to the above measurements. Samples from eight Hg-contaminated sites were examined over a range of total Hg (HgT; 0.03–14 mg kg-1 wet wt. soil) and MeHg (0.05–27 µg kg-1 wet wt. soil) concentrations. In the metagenome and amplicon sequencing of hgcAB diversity, the Deltaproteobacteria were the dominant Hg-methylators, while Firmicutes and methanogenic Archaea were typically ~50% less abundant. This was consistent with metaproteomics estimates where the Deltaproteobacteria were consistently higher. The 16S rRNA gene pyrosequencing did not have sufficient resolution to identify hgcAB+ species. Metagenomic and hgcAB results were similar for Hg-methylator diversity and showed a tractable relationship between Hg-methylating bacteria and soil Hg concentrations among similar environmental samples. However, clade-specific qPCR-based approaches for hgcA are only appropriate when comparing the abundance of a particular clade across various samples.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Enhanced photon collection of high surface area carbonate-doped mesoporous TiO2 nanospheres in dye sensitized solar cells

Highlights: • Carbonate-doped mesoporous TiO{sub 2} showed enhanced DSSC efficiency (5.4%). • Carbonate-doped TiO{sub 2} indicated higher surface area and incident photon conversion efficiency. • Carbonate-doped TiO{sub 2} showed lower resistance and longer life time. - Abstract: Carbonate-doped mesoporous TiO{sub 2} nanospheres with anatase phase were successfully synthesized by the simple solvothermal method. The synthesized nanospheres were monodispersed and composed of particles having the size of 10–15 nm. Scanning transmission electron microscopy (STEM) analysis showed nanosphere with large number particles. STEM-mapping clearly showed that Ti, O, and C were homogeneously distributed. Incorporation of carbonate in TiO{sub 2} was confirmed by XPS analysis. The peak at 284.3 eV was assigned to CO and indicated the formation TiOC structure due to carbonate doping in TiO{sub 2} lattice. Dye-sensitized solar cells (DSSCs) containing the nanospheres were fabricated by spray coating technique using N719 dye. Carbonate-doped mesoporous TiO{sub 2} showed enhanced DSSC efficiency (5.4%) compared to undoped (3.4%) and commercially available TiO{sub 2} (P25) (2.4%). It indicated (1) higher surface area and incident photon conversion efficiency, (2) lower resistance and longer life time compared with undoped TiO{sub 2}.

14 SOLAR ENERGY↗
DOE OSTI2017

Highly Efficient Carbon Monoxide Capture by Carbanion-Functionalized Ionic Liquids through C-Site Interactions

A novel method for the highly efficient and reversible capture of CO in carbanion-functionalized ionic liquids (ILs) by a C-site interaction is reported. Because of its supernucleophilicity, the carbanion in ILs could absorb CO efficiently. As a result, a relatively high absorption capacity for CO (up to 0.046 mol mol -1 ) was achieved under ambient conditions, compared with CO solubility in a commonly used IL [Bmim][Tf 2 N] (2×10 -3 mol mol -1 ). The results of quantum mechanical calculations and spectroscopic investigation confirmed that the chemical interaction between the C-site in the carbanion and CO resulted in the superior CO absorption capacities. In addition, the subsequent conversion of captured CO into valuable chemicals with good reactivity was also realized through the alkoxycarbonylation reaction under mild conditions. Highly efficient CO absorption by carbanion-functionalized ILs provides a new way of separating and converting CO.

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

Development of a novel high quantum efficiency MV x-ray detector for image-guided radiotherapy: A feasibility study

Purpose: To develop a new scintillating fiber-based electronic portal imaging device (EPID) with a high quantum efficiency (QE) while preserving an adequate spatial resolution. Methods: Two prototypes were built: one with a single pixel readout and the other with an active matrix flat-panel imager (AMFPI) for readout. The energy conversion layer of both prototypes was made of scintillating fiber layers interleaved with corrugated lead sheets to form a honeycomb pattern. The scintillating fibers have a diameter of 1 mm and the distance between the centers of neighboring fibers on the same layer is 1.35 mm. The layers have 1.22 mm spacing between them. The energy conversion layer has a thickness of 2 cm. The modulation transfer function (MTF), antiscatter properties and sensitivity of the detector with a single pixel readout were measured using a 6-MV beam on a LINAC machine. In addition, a Monte Carlo simulation was conducted to calculate the zero-frequency detective quantum efficiency (DQE(0)) of the proposed detector with an active matrix flat-panel imager for readout. Results: The DQE(0) of the proposed detector can be 11.5%, which is about an order of magnitude higher than that of current EPIDs. The frequency of 50% modulation (f 50 ) of the measured MTF is 0.2 mm –1 at 6 MV, which is comparable to that of video-based EPIDs. The scatter to primary ratio (SPR) measured with the detector at 10 cm air gap and 20 x 20 cm 2 field size is approximately 30% lower than that of ionization chamber–based detectors with a comparable QE. The detector noise which includes the x-ray quantum noise and absorption noise is much larger than the electronic noise per pixel of the flat-panel imager at a dose of less than two LINAC pulses. Thus, the proposed detector is quantum noise limited down to very low doses (~a couple of radiation pulses of the LINAC). A proof-of-concept image has been obtained using a 6-MV beam. Conclusions: This work indicates that by using scintillating fibers and lead layers it is possible to increase the thickness of the detecting materials, and therefore the QE or the DQE(0) of the detector, while maintaining an adequate spatial resolution for MV x-ray imaging. Due to the use of lead as the spacing material, the new detector also has antiscatter property, which will help improve the signal-to-noise ratio of the images. Further investigation to optimize the design of the detector and achieve a better combination of DQE and spatial resolution is warranted.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Structure and Reactivity of Low-Rank Coal Chars Prepared from Fluidized Bed and Moving Bed Pyrolyzers and the Potential for Using Them in Pulverized Coal Injection (PCI)

Utilizing pyrolysis chars as the injection fuel in a blast furnace can reduce the dependence on high-quality pulverized coal injection (PCI) coal. In this study, the physical properties and reaction characteristics of chars prepared from two different industrial-scale pyrolyzers (fluidized bed and moving bed) are investigated. The results reveal remarkable component segregation in the char particles with different particle sizes. The properties of large-size char particles are found to better satisfy the PCI fuel requirement in a blast furnace. Compared with PCI coal, the char particles exhibit a rough surface, well-developed pore structure, and less-ordered chemical structure of carbon. Results from isothermal combustion, isothermal gasification, and drop tube furnace experiments show that both types of chars exhibit a better reactivity than PCI coal. The excellent reactivity of chars is closely related to its high Brunauer–Emmett–Teller surface area and relatively poor chemical ordering during conversion. Based on these characteristics, both fluidized bed char (FBC) and moving bed char (MBC) have a great potential to be used as PCI fuels. The application method of chars for PCI in a blast furnace is proposed finally.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

An approach to nearest neighbor analysis of pigment-protein complexes using chemical cross-linking in combination with mass spectrometry

Herein, protein cross-linking is the process of chemically joining two amino acids in a protein or protein complex by a covalent bond. When combined with mass spectrometry, it becomes one of the structural mass spectrometry techniques gaining in importance for deriving valuable three-dimensional structural information on proteins and protein complexes. This platform complements existing structural methods, such as NMR spectroscopy, X-ray crystallography, and cryo-EM. Photosynthetic pigment protein complexes serve as light-energy harvesting systems and perform photochemical conversion as part of the “early events” of photosynthesis. This chapter outlines how to prepare cross-linking pigment protein complex samples for LC-MS/MS analysis, including identification of the cross-linked species, network analysis in a protein complex, and structural modeling and justification.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Strong O 2p–Fe 3d Hybridization Observed in Solution-Grown Hematite Films by Soft X-ray Spectroscopies

Photoelectrochemical (PEC) water splitting holds the potential as a direct route for solar energy conversation and storage. The performance of a PEC device is strongly influenced by the electronic properties of the photonanode surface. It has been shown that the synthesis methods can have a profound impact on the electronic properties and PEC performance of various photoelectrode materials such as hematite. Soft X-ray spectroscopic techniques, including O K-edge XAS and Fe L-edge XAS/XES, have been employed to investigate how the synthesis methods impact the electronic structure of resulting hematite materials. It is found that the hematite samples via solution regrowth methods show dramatically increased 3d-4sp band ratios in O K-edge XAS spectra and decreased relative elastic peak intensities in Fe L-edge RIXS spectra compared with samples synthesized via ALD or solution grown. The difference observed in O-K and Fe-L spectra indicated that solution regrowth strategy alters the O 2p-Fe 3d hybridization and hence the electronic structure of the hematite films, which proves to be beneficial for PEC performance of the hematite photoanode. Our findings provided new insights and potentially useful strategies for enhancing the PEC performance of photoanode materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

C 1 Chemistry on Metal Carbide Nanoparticles: Boosting the Conversion of CO 2 and CH 4

The studies described in this Perspective show that transition metal carbide (TMC) nanoparticles can be very useful for the activation of three molecules located at the heart of C 1 chemistry: H 2 , CH 4 , and CO 2 . They also can play a major role in the trapping and conversion of two major greenhouse gases. A combination of experiment and theory has shed light on the physical and chemical properties of these systems, which can be very different from those of bulk carbides. Molecular clusters of these compounds, which can be inserted inside the cages of zeolites or carbon nanotubes, have unsaturated metal and carbon atoms that frequently work in a cooperative way when dealing with hard-to-activate molecules, such as CH 4 and CO 2 . These molecular clusters can evolve into nanoparticles of small to medium size (<15 nm) that have unique carbon/metal ratios and structures not seen in the bulk metal carbides. Even when their structures are cuts from bulk lattices, the TMC nanoparticles have corner or edge atoms that are active for the cleavage and conversion of C–H and C–O bonds. In this paper, we cover experimental and theoretical studies with well-defined metal carbide nanoparticles prepared by different methods, free and supported on diverse substrates. The Perspective ends with a discussion of current challenges and potential applications.

03 NATURAL GAS↗
DOE OSTI2024

Separation Process of Plant Fibers for Textile and Composite Application: A Review of Recent Advances

Plant fiber resources have gained significant attention for value-added utilization due to their renewability, sustainability, abundance, and widely acknowledged physical properties. The efficient and pragmatic separation of plant fibers is a critical process for their efficient utilization, yet a substantial gap persists between laboratory research advancements and their commercialization. To increase the possibility of research advancements for industrial application, this review summarizes the recent advances in different extraction methodologies of plant fiber research in textile and composite fields. It systematically outlines, compares, and contrasts physical (cryogenic, supercritical carbon dioxide, ultrasonic, steam explosion and microwave heating treatment), chemical (alkali, oxidation, organic solvents and deep eutectic solvents methods), and biological (natural retting, enzymatic and microorganism approaches) methods, addressing their respective mechanisms, strengths, limitations, research progress, and future prospects. In general, traditional chemical approaches have proven significantly effective but are accompanied by high pollution. Conversely, novel chemical treatments such as deep eutectic solvents and organic solvents offer a promising blend of efficiency and environmental friendliness but require deeper studies currently. Meanwhile, physical and biological treatments, though largely eco-friendly, tend to suffer from lower separation efficiencies. The research needs and future direction are also addressed to bridge the gap between scientific advancements and their widespread industrial application.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

SnSe 2 thermal conductivity from optothermal Raman and Stokes/anti-Stokes thermometry

The optothermal Raman method is useful in determining the in-plane thermal conductivity of two-dimensional (2D) materials that are either suspended or supported on a substrate. We compare this method with the Stokes/anti-Stokes scattering thermometry method, which can play a role in both calibration of Raman peak positions as well as extraction of the local phonon temperature. This work demonstrates that the Stokes/anti-Stokes intensity ratio plays an important role in determining the in-plane thermal conductivity of 2D tin diselenide (SnSe 2 ) dry-transferred onto a polished copper (Cu) substrate. The statistically-averaged thermal conductivity of the 108 ± 24 nm-thick SnSe 2 yielded 5.4 ± 3.5 Wm −1 K −1 for the optothermal Raman method, and 2.40 ± 0.81 Wm −1 K −1 for the Stokes/anti-Stokes thermometry method, indicating that the Stokes/anti-Stokes thermometry method to calculate the thermal conductivity of a material can simultaneously increase both precision and accuracy. The uncertainty value was also lowered by a factor of 1.9 from the traditional optothermal Raman method to the Stokes/anti-Stokes thermometry method. The low in-plane thermal conductivity of 2D SnSe 2 , 1.3–2.9 times lower than bulk, is useful for applications in thermal and electrical energy conversion and thermoelectric devices.

2D materials↗