Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher.
Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?
Some links on this page may take you to non-federal websites. Their policies may differ from this site.
-
Free, publicly-accessible full text available November 2, 2026
-
MXene, with its high aspect ratio and adjustable surface properties, has garnered significant attention in the realm of hydrogen storage research. For the first time, considering a ternary/quaternary mixed terminated MXene surface, the authors have investigated comprehensively the hydrogen storage potential of two-dimensional (2D) titanium carbide Ti3C2Tx monolayer MXene using density functional theory (DFT). By considering mixed terminated surfaces, this study indicated the locally induced dipole due to the mixed termination is beneficial in facilitating hydrogen adsorption with stronger average adsorption energies than that of the uniform F-/O-/OH-/H-terminated surfaces. The authors estimated a compelling average H2 surface adsorption energy on the ternary mixed termination and total surface storage capacity to be −0.14 eV/H2 and ∼2 wt% H2, which is comparable to that of the metal-organic frameworks (MOFs). This study also reveals the importance of the local surface chemistry effects on hydrogen adsorption.more » « less
-
We proposed a more realistic albeit slightly complicated multilayer Ti3C2Tx model and performed a comprehensive theoretical study of its structural and electronic properties. In this work, we constructed various multilayer Ti3C2Tx structures considering different concentrations of hydrofluoric acid (HF; 5, 10, and 48 wt%) as the etchant. The validity of our ternary mixed O/OH/F-terminated Ti3C2Tx multilayer models is confirmed by the consistency of the calculated d-spacing (9.60 ± 0.07 Å), simulated X-ray diffraction (XRD) spectra and the predicted adhesion energy (0.77 ± 0.15 J m−2) with the reported experimental measurements. The uniform terminated and mixed terminated multilayer Ti3C2Tx exhibit metallic characteristics, similar to those of monolayer Ti3C2Tx. We found a stronger interaction between the interlayers with OH-rich ternary mixed terminated Ti3C2Tx surfaces, due to the formation of hydrogen bonds between the hydroxyl groups and adjacent layers of F/O terminal groups as supported by the crystal orbital Hamilton population (COHP) calculation. From this finding, we propose that multilayer Ti3C2Tx etched with a strong HF acid could be easily exfoliated into monolayer sheets due to smaller adhesion energy. Based on this work, we believe that the current findings will offer a fundamental understanding and a useful baseline multilayer model for the future investigation of the hydrogen and ion storage and diffusion properties in the MXene multilayer application.more » « less
-
With varying hydrofluoric acid (HF) concentrations under three etching conditions, we presented a comparative study of the effects of both the ordered and randomly ternary mixed terminated Ti3C2Tx surfaces with a wide variation of O/OH/F stoichiometry on the thermodynamic stability and electronic properties. Regardless of the HF concentration, an OH-rich surface is found to be thermodynamically stable and the electrical conductivity of Ti3C2Tx is substantially affected by the OH concentration. The charge density difference and electron localization function demonstrated a significant electron localization at the hydroxyl group on the O/OH/F mixed terminated surface, which could yield a locally induced dipole on the surface that renders favorable reaction sites on the functionalized surface. In addition, a large tunability in the work function (ΔΦ ∼ 3.5 eV) is predicted for Ti3C2Tx. These findings provide a pathway for strategically tuning the electronic and structural properties of Ti3C2 MXenes etched with HF.more » « less
-
Empowering language is important in many real-world contexts, from education to workplace dynamics to healthcare. Though language technologies are growing more prevalent in these contexts, empowerment has seldom been studied in NLP, and moreover, it is inherently challenging to operationalize because of its implicit nature. This work builds from linguistic and social psychology literature to explore what characterizes empowering language. We then crowdsource a novel dataset of Reddit posts labeled for empowerment, reasons why these posts are empowering to readers, and the social relationships between posters and readers. Our preliminary analyses show that this dataset, which we call TalkUp, can be used to train language models that capture empowering and disempowering language. More broadly, TalkUp provides an avenue to explore implication, presuppositions, and how social context influences the meaning of language.more » « less
-
Abstract The highly active family of Mutator (Mu) DNA transposons has been widely used for forward and reverse genetics in maize. There are examples of Mu-suppressible alleles that result in conditional phenotypic effects based on the activity of Mu. Phenotypes from these Mu-suppressible mutations are observed in Mu-active genetic backgrounds, but absent when Mu activity is lost. For some Mu-suppressible alleles, phenotypic suppression likely results from an outward-reading promoter within Mu that is only active when the autonomous Mu element is silenced or lost. We isolated 35 Mu alleles from the UniformMu population that represent insertions in 24 different genes. Most of these mutant alleles are due to insertions within gene coding sequences, but several 5′ UTR and intron insertions were included. RNA-seq and de novo transcript assembly were utilized to document the transcripts produced from 33 of these Mu insertion alleles. For 20 of the 33 alleles, there was evidence of transcripts initiating within the Mu sequence reading through the gene. This outward-reading promoter activity was detected in multiple types of Mu elements and does not depend on the orientation of Mu. Expression analyses of Mu-initiated transcripts revealed the Mu promoter often provides gene expression levels and patterns that are similar to the wild-type gene. These results suggest the Mu promoter may represent a minimal promoter that can respond to gene cis-regulatory elements. Findings from this study have implications for maize researchers using the UniformMu population, and more broadly highlight a strategy for transposons to co-exist with their host.more » « less
-
Conventionally, the size, shape, and biomechanics of cartilages are determined by their voluminous extracellular matrix. By contrast, we found that multiple murine cartilages consist of lipid-filled cells called lipochondrocytes. Despite resembling adipocytes, lipochondrocytes were molecularly distinct and produced lipids exclusively through de novo lipogenesis. Consequently, lipochondrocytes grew uniform lipid droplets that resisted systemic lipid surges and did not enlarge upon obesity. Lipochondrocytes also lacked lipid mobilization factors, which enabled exceptional vacuole stability and protected cartilage from shrinking upon starvation. Lipid droplets modulated lipocartilage biomechanics by decreasing the tissue’s stiffness, strength, and resilience. Lipochondrocytes were found in multiple mammals, including humans, but not in nonmammalian tetrapods. Thus, analogous to bubble wrap, superstable lipid vacuoles confer skeletal tissue with cartilage-like properties without “packing foam–like” extracellular matrix.more » « less
An official website of the United States government
