Geography of the Underserved: The Contribution of Rural Non-Trauma Hospitals to Trauma Care.

OBJECTIVE: To determine the proportion and characteristics of injured rural residents treated at urban trauma centers (TCs), urban non-trauma centers (NTCs), rural TCs, and rural NTCs. SUMMARY BACKGROUND DATA: Timely treatment at a designated trauma center improves outcomes for patients with serious injuries, but rural residents have limited access to designated trauma centers. Rural non-trauma centers may constitute an underrecognized source of trauma care. METHODS: We used the National Emergency Department Sample to conduct a retrospective, pooled cross-sectional study of ED visits among rural residents with injury severity score (ISS) ≥ 9 (indicating at least moderate injury). Hospitals were designated as a trauma (TC) or non-trauma center (NTC) and as rural or urban. We compared management, disposition, and outcomes among hospital types. RESULTS: Of 748,587 injured rural residents from 2016-2020, 384,113 (51.3%) were treated in rural NTCs, 232,845 (31.1%) in urban TCs, 116,493 (15.6%) in urban NTCs, and 15,137 (2.0%) in rural TCs. Injuries treated at rural NTCs were moderate in severity (ISS 9-15) in 76.6% of visits, severe (ISS 16-25) in 15.7%, and very severe (ISS > 25) in 1.1%. Urban TCs saw the highest proportion of very severe injuries (17.3%). Rural NTCs managed 77.5% of visits definitively, discharging 72.8%. They transferred 21.9% of patients. Length of stay was longest and hospital charges highest for patients treated in urban TCs, which also performed the most procedures. Rural NTCs had the shortest length of stay and lowest mean charges. CONCLUSIONS: Rural non-trauma centers provided initial care for more than half of injured rural residents, including 2 in 5 of those with the most severe injuries, and managed more than 3 in 4 definitively. These hospitals may be an under-recognized component of the US trauma system.

Sodium Octahydridotriborate as a Solid Electrolyte with Excellent Stability Against Sodium-Metal Anode.

Solid-state sodium metal batteries have been extensively investigated because of their potential to improve safety, cost-effectiveness, and energy density. The development of such batteries urgently required a solid-state electrolyte with fast Na-ion conduction and favorable interfacial compatibility. Herein, the progress on developing the NaB3H8 solid-state electrolytes is reported, which show a liquid-like ionic conductivity of 0.05 S cm-1 at 56 °C with an activation energy of 0.35 eV after an order-disorder phase transformation, matching or surpassing the best single-anion hydridoborate conductors investigated up to now. The steady polarization voltage and significantly decreased resistance are achieved in the symmetric Na/NaB3H8/Na cell, indicating the great electrochemical stability and favorable interfacial contact with the Na metal of NaB3H8. Furthermore, a Na/NaB3H8/TiS2 battery, the first high-rate (up to 1 C) solid-state sodium metal battery using the single-anion hydridoborate electrolyte, is demonstrated, which exhibits superior rate capability (168.2 mAh g-1 at 0.1 C and 141.2 mAh g-1 at 1 C) and long-term cycling stability (70.9% capacity retention at 1 C after 300 cycles) at 30 °C. This work may present a new possibility to solve the interfacial limitations and find a new group of solid-state electrolytes for high-performance sodium metal batteries.

IL13Rα2 as a crucial receptor for Chi3l1 in osteoclast differentiation and bone resorption through the MAPK/AKT pathway.

BACKGROUND: Previous research has revealed that the 18 glycoside hydrolase gene family (GH18) member Chitinase 3-like 1 (Chi3l1) can regulate osteoclast differentiation and bone resorption. However, its downstream receptors and molecular mechanisms during osteoclastogenesis have yet to be elucidated. METHODS: Initially, we conducted a comprehensive investigation to evaluate the effects of recombinant Chi3l1 protein or Chi3l1 siRNA on osteoclast differentiation and the RANKL-induced MAPK/AKT signaling pathways. Moreover, we used immunofluorescence and immunoprecipitation assays to identify IL13Rα2 as the downstream receptor of Chi3l1. Subsequently, we investigated the impact of IL13Rα2 recombinant protein or IL13Rα2-siRNA on osteoclast differentiation and the associated signaling pathways. Finally, we performed in vivo experiments to examine the effect of recombinant IL13Rα2 protein in an LPS-induced mouse model of cranial osteolysis. RESULTS: Our findings highlight that the administration of recombinant Chi3l1 protein increased the formation of osteoclasts and bolstered the expression of several osteoclast-specific genes (TRAP, NFATC1, CTR, CTSK, V-ATPase d2, and Dc-STAMP). Additionally, Chi3l1 significantly promoted the RANKL-induced MAPK (ERK/P38/JNK) and AKT pathway activation, whereas Chi3l1 silencing inhibited this process. Next, using immunofluorescence and co-immunoprecipitation assays, we identified IL13Rα2 as the binding partner of Chi3l1 during osteoclastogenesis. IL13Rα2 recombinant protein or IL13Rα2-siRNA also inhibited osteoclast differentiation, and IL13Rα2-siRNA attenuated the RANKL-induced activation of the MAPK (ERK/P38/JNK) and AKT pathways, similar to the effects observed upon silencing of Chi3l1. Moreover, the promoting effect of recombinant Chi3l1 protein on osteoclastogenesis and the activation of the MAPK and AKT pathways was reversed by IL13Rα2 siRNA. Finally, recombinant LI13Rα2 protein significantly attenuated the LPS-induced cranial osteolysis and the number of osteoclasts in vivo. CONCLUSIONS: Our findings suggested that IL13Rα2 served as a crucial receptor for Chi3l1, enhancing RANKL-induced MAPK and AKT activation to promote osteoclast differentiation. These findings provide valuable insights into the molecular mechanisms of Chi3l1 in osteoclastogenesis, with potential therapeutic implications for osteoclast-related diseases. Video Abstract.

Privacy preserving technology in ophthalmology.

PURPOSE OF REVIEW: Patient privacy protection is a critical focus in medical practice. Advances over the past decade in big data have led to the digitization of medical records, making medical data increasingly accessible through frequent data sharing and online communication. Periocular features, iris, and fundus images all contain biometric characteristics of patients, making privacy protection in ophthalmology particularly important. Consequently, privacy-preserving technologies have emerged, and are reviewed in this study. RECENT FINDINGS: Recent findings indicate that general medical privacy-preserving technologies, such as federated learning and blockchain, have been gradually applied in ophthalmology. However, the exploration of privacy protection techniques of specific ophthalmic examinations, like digital mask, is still limited. Moreover, we have observed advancements in addressing ophthalmic ethical issues related to privacy protection in the era of big data, such as algorithm fairness and explainability. SUMMARY: Future privacy protection for ophthalmic patients still faces challenges and requires improved strategies. Progress in privacy protection technology for ophthalmology will continue to promote a better healthcare environment and patient experience, as well as more effective data sharing and scientific research.

Hypoxia-based critical gene biomarkers as prognostic reporters for gastric adenocarcinoma.

BACKGROUND: Gastric cancer is the most common malignant tumour of the digestive system, yet there is a lack of reported prognostic biomarkers for STAD patients. METHODS: Transcriptomic expression data of STAD from GEO database, single cell sequencing data from OMIX gastric cancer database. Conservative molecular typing of gastric cancer was constructed using non-negative matrix factorization (NMF). The abundance of 28 immune cells in the tumour samples was assessed using ssGSEA. The R package "oncoPredict" was used to predict chemotherapy response. TIDE website for immunotherapy response prediction. Finally, single cell analysis was performed to clarify the specific type annotation of STAD cells and to analysis their spatial expression. RESULTS: Hypoxia-score demonstrated excellent prognostic discrimination in TCGA gastric cancer samples. Among multiple deconvolution-based algorithms for immune infiltration, Hypoxia-score presented a general immunosuppressive efficacy across multiple datasets, as evidenced by a broad negative correlation with immune cell infiltration. By the likelihood that each group may have specific drug sensitivity to multiple chemotherapeutic and targeted agents. Results showed that high-risk scoring patients were more sensitive to Staurosporine, Sabutoclax, and AZD8055, while low-risk patients were more sensitive to Bortezomib, Dactinomycin, Docetaxel, Daporinad, Sepantronium, and bromide. In the immunotherapy cohort, the Hypoxia-score presented the ability to discriminate for immunotherapy efficacy. The distribution of Hypoxia-score in single-cell descending space was calculated using AddModuleScore and was found to be distributed across the various cell types annotated in the single-cell analysis. It is suggested that various cells in the tumour microenvironment are involved in hypoxia gene set processes to varying degrees. CONCLUSION: The Hypoxia-score proves to be a valuable tool for assessing the prognosis of gastric cancer patients and guiding drug treatments, providing significant guidance for clinical diagnosis and treatment in the context of gastric cancer.

A High-Rate and Long-Life Sodium Metal Battery Based on a NaB3H8 ⋠xNH3@NaB3H8 Composite Solid-State Electrolyte.

All-solid-state sodium metal batteries are promising for large-scale energy storage applications owing to their intrinsic safety and cost-effectiveness. However, they generally suffer from sodium dendrite growth or rapid capacity fading, especially at high rates, mainly due to poor wettability, sluggish ionic transport, or low interfacial stability of the solid electrolytes. Herein, we report a novel composite, NaB3H8 ⋅ xNH3@NaB3H8 (x<1), as a new class of solid electrolyte for high-rate batteries. NaB3H8 ⋅ xNH3@NaB3H8 is obtained from the sticky NaB3H8 ⋅ NH3 after removal of NH3 partially at room temperature. It delivers an ionic conductivity of 0.84 mS cm-1 at 25 °C and reaches 20.64 mS cm-1 at 45 °C after an order-disorder phase transformation. It also reveals a good capability of dendrite suppression and remarkable stability against sodium metal. These performances enable the all-solid-state Na//TiS2 battery with a high capacity of 232.4 mAh g-1 (97.2 % of theoretical capacity) and long-term cycling stability at 1 C. Notably, this battery shows superior long-life cycling stability even at 5 and 10 C, which has been rarely reported in all-solid-state sodium metal batteries. This work opens a new group of solid electrolytes, contributing to fast-charging or high-power-density sodium metal batteries.

Facile Synthesis of Potassium Decahydrido-Monocarba-closo-Decaborate Imidazole Complex Electrolyte for All-Solid-State Potassium Metal Batteries.

All-solid-state potassium metal batteries have caught increasing interest owing to their abundance, cost-effectiveness, and high energy/power density. However, their development is generally constrained by the lack of suitable solid-state electrolytes. Herein, we report a new complex KCB9H10·2C3H4N2, synthesized by grinding and heating the mixture of potassium decahydrido-monocarba-closo-decaborate (KCB9H10) and imidazole (C3H4N2) under mild conditions, to achieve the K-ion superionic solid-state electrolyte. The crystal structure was revealed as an orthorhombic lattice with the space group of Pna21 by FOX software. The diffusion properties for K+ in the crystal structure were calculated using the climbing image nudged elastic band (CI-NEB) method. KCB9H10·2C3H4N2 exhibited a high ionic conductivity of 1.3 × 10-4 S cm-1 at 30 °C, four orders of magnitude higher than that of KCB9H10. This ionic conductivity is also the highest value of hydridoborate-based K+ conductors reported. Moreover, KCB9H10·2C3H4N2 demonstrated a K+ transference number of 0.96, an electrochemical stability window of 1.2 to 3.2 V vs. K/K+, and good stability against the K metal coated by a layer of potassium imidazolate (KIm). These great performances make KCB9H10·2C3H4N2 a promising K-ion solid-state electrolyte.

Deep learning-assisted diagnosis of benign and malignant parotid tumors based on contrast-enhanced CT: a multicenter study.

OBJECTIVES: To develop deep learning-assisted diagnosis models based on CT images to facilitate radiologists in differentiating benign and malignant parotid tumors. METHODS: Data from 573 patients with histopathologically confirmed parotid tumors from center 1 (training set: n = 269; internal-testing set: n = 116) and center 2 (external-testing set: n = 188) were retrospectively collected. Six deep learning models (MobileNet V3, ShuffleNet V2, Inception V3, DenseNet 121, ResNet 50, and VGG 19) based on arterial-phase CT images, and a baseline support vector machine (SVM) model integrating clinical-radiological features with handcrafted radiomics signatures were constructed. The performance of senior and junior radiologists with and without optimal model assistance was compared. The net reclassification index (NRI) and integrated discrimination improvement (IDI) were calculated to evaluate the clinical benefit of using the optimal model. RESULTS: MobileNet V3 had the best predictive performance, with sensitivity increases of 0.111 and 0.207 (p < 0.05) in the internal- and external-testing sets, respectively, relative to the SVM model. Clinical benefit and overall efficiency of junior radiologist were significantly improved with model assistance; for the internal- and external-testing sets, respectively, the AUCs improved by 0.128 and 0.102 (p < 0.05), the sensitivity improved by 0.194 and 0.120 (p < 0.05), the NRIs were 0.257 and 0.205 (p < 0.001), and the IDIs were 0.316 and 0.252 (p < 0.001). CONCLUSIONS: The developed deep learning models can assist radiologists in achieving higher diagnostic performance and hopefully provide more valuable information for clinical decision-making in patients with parotid tumors. KEY POINTS: • The developed deep learning models outperformed the traditional SVM model in predicting benign and malignant parotid tumors. • Junior radiologist can obtain greater clinical benefits with assistance from the optimal deep learning model. • The clinical decision-making process can be accelerated in patients with parotid tumors using the established deep learning model.

Surface-independent CO2 and CO reduction on two-dimensional kagome metal KV3Sb5.

Two-dimensional kagome metals possess rich band structure characteristics, including Dirac points, flat bands, and van Hove singularities, because of their special geometric structures. Furthermore, kagome metals AV3Sb5 (A = K, Rb, and Cs) have garnered significant attention due to their nontrivial topological electronic structures. In this study, we theoretically demonstrate that the KV3Sb5 (001) surface is conducive to CO2 and CO reduction. The thermodynamic stability and electrochemical states of various surface types are investigated. The reaction paths reveal that the product is identical on different surfaces, and the free energy profiles exhibit low onset potentials. This paper elucidates the effect of two-dimensional topological kagome metals on CO2 and CO reduction.

Biphenylene network as sodium ion battery anode material.

Sodium ion batteries possess several advantages for large-scale energy storage, such as low cost and enhanced safety. However, graphite or other anode materials are not satisfactory because the large radius of Na+ hinders their embedding and removal in the charge and discharge processes. Recently, a biphenylene network (BPN), a two-dimensional (2D) carbon allotrope, has been synthesized. In this paper, we reveal the potential possibility of BPN as a Na storage material. The theoretical results indicate the advantages of BPN as a sodium battery anode. The maximum specific capacity (413 mA h g-1) is larger than that of the graphite-Li system (372 mA h g-1). With low Na+ diffusion barrier (<0.6 eV) and small volume expansion in the charging process (∼26%), BPN presents superiority to the graphite-Na system. Our findings show new insights into Na storage in BPN and provide guidance for the use of a BPN anode in sodium ion batteries.

CSMD1 suppresses cancer progression by inhibiting proliferation, epithelial-mesenchymal transition, chemotherapy-resistance and inducing immunosuppression in esophageal squamous cell carcinoma.

Human CUB and Sushi multiple domains (CSMD1) is considered a crucial role in cancer progression, but the specific function in esophageal squamous cell carcinoma (ESCC) is not clear. Understanding the role of CSMD1 in ESCC progression may lead to a novel strategy for ESCC treatment. Here, we found that both CSMD1 mRNA and protein levels were downregulated in ESCC tissues. Reduced CSMD1 expression was correlated with a poor prognosis in ESCC patients. CSMD1 expression inhibited proliferation, migration and invasion in ESCC cell lines in vitro. CSMD1 deficiency in established xenografted tumors increases tumor size and weight. We further found that CSMD1-overexpression cells are more sensitive to chemotherapy. Moreover, we addressed the role of CSMD1 in the CD8+ T cell immune response. An in vitro killing assay showed that the cytotoxicity of CD8+ T cells was inhibited in CSMD1-overexpression tumor cells. In vivo, in CSMD1 deficiency tumor-bearing mice activation and expansion of CD8+ T cells were increased. Further investigation showed that CSMD1 expression on tumor cells was positively correlated with CD8+ T cells infiltration and cytokines secretion. These findings highlight that CSMD1 is a tumor suppressor gene in ESCC patients and a positive regulator of CD8+ T cells expansion and activation, and could increase cytokines secretion, indicating that tumor cell-associated CSMD1 might be a target for ESCC.

Autonomic nervous system receptor-mediated regulation of mast cell degranulation modulates the inflammation after corneal epithelial abrasion.

Mast cells (MCs) regulate wound healing and are influenced by the autonomic nervous system (ANS). However, the underlying mechanisms affecting wound healing outcomes remain elusive. Here, we explored the specific role of the ANS by regulating MC degranulation following corneal epithelium abrasion. A mouse model of corneal abrasion was established by mechanically removing a 2-mm central epithelium. Wound closure, neutrophil infiltration, and transcription of injured corneas were investigated using whole-mount immunostaining, flow cytometry, and RNA-sequencing analysis, respectively. Inhibition of MC degranulation by the MC stabilizers cromolyn sodium and lodoxamide tromethamine increased the infiltration of neutrophils and delayed healing of abraded corneas. Moreover, transcriptomic profiling analysis showed that purified MCs from the limbus expressed adrenergic and cholinergic receptors. Pharmacological manipulation and sympathectomy with 6-hydroxydopamine confirmed that sympathetic nervous system signaling inhibited MC degranulation after corneal abrasion, whereas parasympathetic nervous system signaling enhanced MC degranulation. We conclude that normal degranulation of MCs in the corneal limbus and crosstalk between the ANS and MCs are crucial for the appropriate control of inflammation and the repair progress of wounded corneas. This suggests a potential approach for improving defective corneal wound healing by the administration of clinically available autonomic activity-modulating agents.

Selective CO2 reduction on topological Chern magnet TbMn6Sn6.

As a new type of topological magnet, TbMn6Sn6 has a planar Mn kagome lattice with out-of-plane magnetic moments. Previous studies have found spin-polarized Chern gapped Dirac fermions in TbMn6Sn6, which are advantageous to topological catalysis. In this study, we theoretically demonstrate that the TbMn6Sn6 (001) surface is favorable for CO2 reduction. The stability of different surface types is investigated, and then the reaction paths of CO2 reduction on the surfaces are revealed to prove that the product is selective. This work reveals the effect of magnetic topological materials on CO2 reduction.

CO2 reduction on single-atom Ir catalysts with chemical functionalization.

As promising catalytic systems, single-atom catalysts (SACs) demonstrate improved catalytic performance for electrochemical reactions. However, the pinning of metal atoms on surfaces usually depends on the adsorption on defects. In this study, defect-free functionalization by attaching IrX3 (X = F or Cl) complexes on the MoS2 monolayer is theoretically demonstrated. The ligand-based method offers a damage-free route for stabilizing SACs on 2D materials. We demonstrate the CO2 reduction process on MoS2-IrX3 with a small change in free energy and a low onset potential. The d6 shell of Ir acts as a molecular joint with universal orbital orientations, which benefits the adsorption of different reaction intermediates. This study shows the superiority of defect-free functionalization of 2D materials using SAC-ligand complexes.

RNA methyltransferase NSUN2 promotes hypopharyngeal squamous cell carcinoma proliferation and migration by enhancing TEAD1 expression in an m5C-dependent manner.

RNA methyltransferase NSUN2 is involved in cell proliferation and invasion in a variety of tumors. However, the expression, function, and mechanism of NSUN2 in hypopharyngeal squamous cell carcinoma (HPSCC) remains unknown. We used a bioinformatics database, polymerase chain reaction, cell culture and transfection, immunohistochemistry, cell proliferation assay, wound healing experiments, transwell assays, western blotting, RNA-seq detection, dual-luciferase reporter assay, in vivo experiments, and a dot blot assay to evaluate the role of NSUN2 in HPSCC. NSUN2 mRNA and protein were highly expressed in HPSCC; NSUN2 knockdown in vitro and in vivo decreased cell proliferation and invasion. Studies have shown that TEAD1, a transcription factor, may act downstream of NSUN2 in HPSCC. NSUN2 was found to promote the proliferation and invasion of HPSCC by upregulating TEAD1 in an 5-methylcytosine-dependent manner, thereby representing an oncogene and potential new target for treating HPSCC.

Sympathetic Nerves Positively Regulate Eosinophil-Driven Allergic Conjunctivitis via α1-Adrenergic Receptor Signaling.

Eosinophils are a major cause of tissue injury in allergic conjunctivitis. The biological nature of eosinophils in the conjunctiva and the mechanisms that control eosinophils' responses in allergic conjunctivitis are currently not completely understood. This study reports that conjunctival eosinophils comprise two populations-Siglec-Fint and Siglec-Fhi-in different life stages. Siglec-Fint eosinophils partly expressed CD34 and were in the immature (or steady) state. Siglec-Fhi eosinophils did not express CD34, sharply increased in number after short ragweed (SRW) pollen challenge, and were in the mature (or activated) state. Moreover, chemical sympathectomy by 6-hydroxydopamine reduced the recruitment and activation of eosinophils, whereas the activation of the sympathetic nerve system (SNS) with restraint stress accelerated the recruitment and activation of eosinophils in SRW-induced conjunctivitis. It was also found that two eosinophil populations expressed alpha-1a-adrenergic receptors (α1a-ARs); in SRW-induced conjunctivitis, treatment with an α1a-AR antagonist decreased eosinophil responses, whereas treatment with an α1a-AR agonist aggravated eosinophil responses. Thus, eosinophil responses in conjunctivitis are regulated by the SNS via α1a-AR signaling. SNS inputs or α1a-AR function may be potential targets for the treatment of allergic conjunctivitis.

Computational temporal ghost imaging for long-distance underwater wireless optical communication.

This work proposes an underwater wireless optical communication (UWOC) system based on computational temporal ghost imaging (CTGI) and a low-bandwidth high-sensitivity avalanche photodiode. After measuring the attenuation coefficient of water, a series of neutral density filters is used to attenuate the optical power to estimate the distance of UWOC. Experimental results show that under the conditions of 4 GHz transmitting frequency and 144.37 m estimated distance, through CTGI, we can achieve error-free transmission, and the peak signal-to-noise ratio is much higher than on-off keying. Additionally, after adopting the segmented reconstruction method, under the condition of 4 GHz transmitting frequency and 193.10 m estimated distance, we can also achieve error-free transmission. At the same time, the relationship between UWOC performance and the number of segments is also studied. This research provides a novel UWOC technique that enables high-frequency transmission signals to be detected by a low-bandwidth photodetector for long-distance UWOC.

Enhanced dimethyl methylphosphonate detection based on two-dimensional WSe2 nanosheets at room temperature.

Chemical warfare agents, particularly nerve agents such as sarin, are exceptionally harmful and incredibly perilous to people. Thus, the sensitive detection of these gases is indispensable for reducing the risk of chemical weapons. Herein, we fabricated a room-temperature chemiresistive gas sensor based on two-dimensional few-layer tungsten diselenide (WSe2) nanosheets, which were prepared through a facile liquid-phase exfoliation method. The WSe2-based sensor has demonstrated sensitive and selective detection of dimethyl methylphosphonate (DMMP), which is a well-known simulant of the nerve agent sarin. The sensor based on WSe2 nanosheets revealed a high response reaching 8.91% to 10 ppm DMMP with a fast response time of 100 s. Furthermore, the sensor displayed reliable stability, excellent selectivity, and a low theoretical limit of detection of about 122 ppb. The enhanced sensing performance of WSe2 nanosheets can be ascribed to the increase of the specific surface area, which provides more active adsorption sites for DMMP molecules, thereby facilitating the charge transfer process between DMMP molecules and WSe2 nanosheets. Overall, our results indicate that two-dimensional transition metal dichalcogenide materials have the potential for the design and fabrication of high-performance nerve agent sensing devices.

Design of p-p heterojunctions based on CuO decorated WS2nanosheets for sensitive NH3gas sensing at room temperature.

Tungsten disulfide (WS2) nanosheets (NSs) have become a promising room-temperature gas sensor candidate due to their inherent high surface-to-volume ratio, tunable electrical properties, and high on-state current density. For further practical applications of WS2-based gas sensors, it is still necessary to overcome the insensitive response and incomplete recovery at room temperature. In this work, we controllably synthesized high-performance ammonia (NH3) gas sensor based on CuO decorated WS2NSs. The optimized p-p WS2/CuO heterojunctions improve the surface catalytic effect, thereby enhancing the gas-sensing performance. The pure WS2NSs-based gas sensors showed a low response and an incomplete recovery in the case of NH3sensing. After the functionalization of CuO nanoparticles, the WS2/CuO heterostructure-based gas sensor exhibits an improved response value of 40.5% to 5  ppm NH3and full recoverability without any external assistance. Density functional theory calculations illustrate that the adsorption of CuO for NH3is much superior to WS2. The p-p heterojunctions strategy demonstrated in this work has great potential in the design of sensitive materials for gas sensors, and provides useful guidance for enhancing the room-temperature sensitivity and recoverability.

Noble metal (Ag, Au, Pd and Pt) doped TaS2 monolayer for gas sensing: a first-principles investigation.

Two-dimensional (2D) layered nanomaterials have attracted increasing attention in gas sensing due to their graphene-like properties. Although the gas sensing performances of 2D layered semiconductor transition metal dichalcogenides (TMDs), including MoS2, WS2, MoSe2 and WSe2, have been extensively studied, it has remained a grand challenge to develop a high-performance gas sensing material that can meet practical applications. Tantalum disulfide (TaS2), as a metallic TMD with low resistance and high current signal, has great promise in high-performance gas sensing. In stark contrast with Mo and W, Ta has a stronger positive charge, which contributes to a higher surface energy to capture gas molecules. Herein, through calculating the adsorption energy, charge transfer, electronic structure, and work function of the adsorption system with first-principles calculations, we first systematically studied the performance of noble metal atom substitution doping on a TaS2 monolayer for toxic nitrogen-containing gas (NH3, NO and NO2) sensing. We found that the TaS2 monolayer exhibits excellent NO sensing performance with an adsorption energy of 0.49 eV and a charge transfer of 0.17 e. However, it has a considerable adsorption energy (-0.22 and -0.39 eV) to NH3 and NO2 molecules, but a low charge transfer (-0.03 and 0.04 e) between the gas molecules and the TaS2 monolayer. To further enhance the gas-sensing performance of the TaS2 monolayer, noble metal atoms (Ag, Au, Pd and Pt) were substitutionally doped into the lattice of the TaS2 monolayer. The results showed that the values of adsorption energy and charge transfer can be significantly improved, and the electronic structure and work function of the doping system has also greatly changed, which makes it much easier to detect the changes in electrical signal due to gas adsorption. Our work indicates that the intrinsic as well as the noble metal doped TaS2 monolayers are promising candidates for high-performance gas sensors.