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Considering the synthesis of novel 2D monolayers such as W8Se12, which are ideal for nanoelectronics, in this study, density‐functional theory is utilized to examine M8X12/G (M = Mo, W; X = S, Se) van der Waals heterostructures (vdWHs). Herein, the crucial role of intrinsic Ohmic contacts and Schottky barrier heights (SBH) at metal/semiconductor interfaces in these heterojunctions, which are vital for efficient current flow and minimal resistance, and their impact on high‐performance electronic and bipolar device applications are focused on. In these findings, it is revealed that W8Se12/G forms an Ohmic contact with a 75.4% tunneling probability, while Mo8S12/G, W8S12/G, and Mo8Se12/G develop n‐type Schottky contacts with remarkably low SBHs of 0.110, 0.136, and 0.064 eV, respectively. The adaptability of these Schottky barriers is demonstrated by modifying the interlayer distance or applying an electric field, leading to transitions from n‐type to p‐type contacts. Additionally, mechanical strain influences the contact type, offering valuable insights for future nanoelectronic and bipolar device technologies. This comprehensive analysis underlines the versatile electronic behavior of M8X12/G vdWHs, highlighting their potential in advancing nanoelectronic devices. [ABSTRACT FROM AUTHOR]

Objective: To investigate the therapeutic effect and mechanism of sivelestat sodium on acute lung injury (AIL). Methods: A rat model for ALI/acute respiratory distress syndrome (ALI/ARDS) was established. Pathological examination of lung tissue was conducted to assess lung injury. Blood gas in the arteries was measured using a blood analyzer. Changes in PaO2, PaO2/FiO2, and lung wet/dry (W/D) weight ratio were carefully compared. ELISA assay was conducted to estimate cell adhesion and inflammation response. Finally, real-time reverse transcription polymerase chain reaction and western blotting assay was used to determine the activation of PI3K/AKT/mTOR pathway. Results: ARDS in vivo model was successfully constructed by LPS injection. Compared with the sham group, PaO2 and PaO2/FiO2 were significantly lower in the vehicle group, while the lung W/D ratio, the lung injury score, NE, VCAM-1, IL-8 andTNF-αwere significantly increased. After treatment with different doses of sivelestat sodium, we found PaO2, PaO2/FiO2 were prominently increased, while the lung W/D ratio, the lung injury score, NE, VCAM-1, IL-8, TNF-α levels were decreased in the dose-dependent manner. Meanwhile, compared with the vehicle group, the expression levels of Bax, PI3K, Akt and mTOR were significantly lower, and the expression of Bcl-2 was significantly higher after injection with sivelestat sodium. Conclusion: Sivelestat sodium has an interventional effect on ALI in sepsis by inhibiting the PI3K/AKT/mTOR signalling pathway. [ABSTRACT FROM AUTHOR]

In this study, we have investigated the electron mobility of monolayered (ML) tetrahex-GeC2 by solving the linearized Boltzmann transport equation (BTE) with the normalized full-band relaxation time approximation (RTA) using density functional theory (DFT). Contrary to what the deformation potential theory (DPT) suggested, the ZA acoustic mode was determined to be the most restrictive for electron mobility, not the LA mode. The electron mobility at 300 K is 803 cm2 (V s)−1, exceeding the 400 cm2 (V s)−1 of MoS2 which was calculated using the same method and measured experimentally. The ab initio quantum transport simulations were performed to assess the performance limits of sub-10 nm DG ML tetrahex-GeC2 n-type MOSFETs, including gate lengths (Lg) of 3 nm, 5 nm, 7 nm, and 9 nm, with the underlap (UL) effect considered for the first two. For both high-performance (HP) and low-power (LP) applications, their on-state currents (Ion) can meet the requirements of similar nodes in the ITRS 2013. In particular, the Ion is more remarkable for HP applications than that of the extensively studied MoS2. For LP applications, the Ion values at Lg of 7 and 9 nm surpass those of arsenene, known for having the largest Ion among 2D semiconductors. Subthreshold swings (SSs) as low as 69/53 mV dec−1 at an Lg of 9 nm were observed for HP/LP applications, and 73 mV dec−1 at an Lg of 5 nm for LP applications, indicating the excellent gate control capability. Moreover, the delay time τ and power dissipation (PDP) at Lg values of 3 nm, 5 nm, 7 nm, and 9 nm are all below the upper limits of the ITRS 2013 HP/LP proximity nodes and are comparable to or lower than those of typical 2D semiconductors. The sub-10 nm DG ML tetrahex-GeC2 n-type MOSFETs can be down-scaled to 9 nm and 5 nm for HP and LP applications, respectively, displaying desirable Ion, delay time τ, and PDP in the ballistic limit, making them a potential choice for sub-10 nm transistors. [ABSTRACT FROM AUTHOR]

The cyclo[18]carbon was synthesized experimentally for the first time in August 2019 [K. Kaiser et al., Science 365, 1299 (2019)]. The semiconductor property of the cyclo[18]carbon makes it possible to become an essential element of molecular electronic devices. In our work, the electron transport properties of zigzag graphene nanoribbon cyclo[18]carbon-zigzag graphene nanoribbon junction [(8-ZGNR)-C 18 -(8-ZGNR)] were studied, using the non-equilibrium Green's function approach based on the density functional theory. The coplanar and perpendicular configuration constitutes the current ON and OFF state, respectively, with the high ON/OFF ratio approaching to 10 4. A significant negative differential conductance (NDC) with a peak-to-valley ratio of 1.5 in the bias range of 0.3 V–0.4 V was found. The NDC arises due to the resonance of the edge state of ZGNRs and the frontier orbitals of C 18 within the bias window. Moreover, the high current ON/OFF ratio and NDC are robust against variations in the lead's width, length of short-carbon chain, and the bridging way of C 18 on leads. Specifically, the Ipeak/Ivalley of the coplanar configuration with the C 5 spacer can increase to 5.7 in the bias range of 0.4 V–0.5 V. Our computational studies may guide design of multi-functional molecular devices based on C 18. [ABSTRACT FROM AUTHOR]

Recently, considerable attention has been paid to exploring the full potential of molecular spintronics; application based on all-carbon devices has drawn much attention. Whether the equilibrium conductance of linear carbon atomic chains (CAC) has an even-odd oscillation (EOO) or reversed EOO (REOO) behavior is critically important but still an open problem. Its answer will in large part determine various transport properties of the junction. Here, we systematically study the spin-dependent electron transport through CAC bridging of two perfect zigzag graphene nanoribbons (ZGNRs) using a nonequilibrium Green's function approach combined with density functional theory calculations. As well as EOO and disappearing EOO, the equilibrium conductance shows an unexpected REOO in the all-carbon junctions, depending strongly on the position and tilting angle of the CAC bridging the gap. The REOO is due to a resonant state that occurs between even-numbered CAC and the ZGNR lead, whereas odd-numbered CAC case has no such resonant state. It indicates that the physical origin of REOO is different from that of EOO. Moreover, the REOO behavior is robust against variations in lead width and CAC length. Our findings may help in designing CAC spintronic on-chip all-carbon devices with various functionalities. [ABSTRACT FROM AUTHOR]