Modulating the Schottky barrier of MXenes/2D SiC contacts via functional groups and biaxial strain: a first-principles study.

Two-dimensional (2D) graphene-like SiC has attracted intense interest recently due to its unique electrical and physical properties. In implementing 2D semiconductors in device applications, one of the main challenges so far has been the formation of a high-quality Schottky barrier owing to the strong Fermi level pinning (FLP) at the interface of traditional metal-2D semiconductor contacts. In this paper, the 2D MXenes Ti3C2T2 (T = F, O, OH) are proposed to serve as electrodes for 2D SiC. The structural and barrier properties of the Ti3C2T2/SiC contacts were systematically investigated based on first-principles calculations combined with the GGA-PBE and HSE06 functionals. It is found that Ti3C2T2 can be bonded with 2D SiC by van der Waals (vdW) interactions. Weak FLP is exhibited at Ti3C2T2/SiC vdW contacts. The type of contact can be tuned by changing the functional T group of Ti3C2T2. Ti3C2F2/SiC and Ti3C2O2/SiC contacts exhibit a p-type Schottky contact and p-type Ohmic contact, respectively, whereas an n-type Ohmic contact occurs in the Ti3C2(OH)2/SiC contact. In addition, the calculated tunneling possibility (TB) is ∼20% between Ti3C2T2 and SiC, indicating weak bonding at the Ti3C2T2/SiC vdW junctions. Furthermore, the Schottky barrier height and TB of the Ti3C2(OH)2/SiC contacts can be modulated via the biaxial strain. The controllable contact type and barrier in Ti3C2T2/SiC contacts provide guidelines for developing high-performance 2D SiC optoelectronic and electronic devices.

Cosputtered Calcium Manganese Oxide Electrodes for Water Oxidation.

Calcium manganese oxide films were prepared by cosputter deposition from Mn and CaMnO3 targets and evaluated for their suitability as catalysts for the oxygen evolution reaction (OER). Scanning electron microscopy (SEM) revealed a compact morphology for the as-deposited films and the formation of nanorodlike features on the surfaces after annealing at 600 °C. X-ray-photoelectron-spectroscopy analysis showed that the surface oxidation state is close to +III (as in Mn2O3) for the as-deposited films and increases slightly to a mixture of III and IV after annealing occurs in dry air at 400-600 °C. Glancing-incidence X-ray diffraction (GIXRD) suggested that the CaMnxOy films are amorphous even when heated to 600 °C. However, transmission electron microscopy (TEM) showed that there is actually a polycrystalline component of the film, which best matches Mn3O4 (hausmannite with the average Mn oxidation state of ∼+2.7) but may have a slightly expanded unit cell because of the incorporation of Ca. Electrochemical analyses revealed that the as-deposited CaMnxOy films were OER-inactive. In contrast, annealing at 400 or 600 °C resulted in an increase of ∼15-fold in the current densities, which reached j ≅ 1.5 mA·cm-2 at OER overpotentials of η ≈ 550 mV in cyclic voltammetry (CV) sweeps. For the same η, annealed CaMnxOy electrodes also showed good electrochemical stabilities during 2 h of electrolysis, as rather constant steady-state current densities of j ≅ 0.4-0.5 mA·cm-2 were observed. The thicknesses and surface morphologies of the CaMnxOy films did not change during the electrochemical measurements, indicating that corrosion was negligible. In comparison with a previous study in which Ca-free thin layers of MnOx were evaluated, the results demonstrate that Ca2+ incorporation can enhance the OER activity of MnOx electrocatalysts prepared by sputter deposition. This work provides guidance for designing new electrodes for water oxidation on the basis of the abundant and nontoxic elements manganese and calcium.

Predictive value of post-operative neutrophil/lymphocyte count ratio for surgical site infection in patients following posterior lumbar spinal surgery.

OBJECTIVE: Surgical site infection (SSI) is a common complication in patients following posterior lumbar spinal surgery. Various laboratory data such as laboratory parameters derived neutrophil/lymphocyte count ratio (NLR), have been applied for the prediction of SSI, but more studies are necessary to evaluate the significance of these indicators. Here, our study aims to investigate the predictive value of total white blood cells (WBCs), count and percentages of neutrophils and leukocytes, NLR, and C-reactive protein (CRP) for surgical site infection (SSI) in patients after posterior lumbar spinal surgery. METHODS: A total of 293 patients who underwent posterior lumbar spinal surgery were enrolled in this study. Each patient's medical history was retrospectively reviewed, and patients were divided into the deep SSI group (n = 13) and the non-SSI group (n = 280). Laboratory data including total WBC, count and percentages of neutrophils and leukocytes, NLR at 1 week before the operation and the 4 and 7 days post-operation, and CRP at 4 and 7 days post-operation were analysed between the SSI and non-SSI groups. Moreover, predictive power and cut-off of NLR for SSI were determined by receiver operating characteristic curve (ROC) results. RESULTS: Data revealed that the medians of NLR were markedly increased in the SSI group as compared to that in non-SSI group at 4 days (p = 0.011) and 7 days (p = 0.047) post-operation. Moreover, the neutrophil percentage was also dramatically increased in the SSI group at both 4 and 7 days post-operation (p = 0.010 and p = 0.030) respectively compared to the non-SSI group. However, no significant difference was observed between the groups 1 week before the operation. ROC results showed that NLR at 4 days (cut-off >5.19; sensitivity: 61.5%; specificity: 77.6%; AUC = 0.708) and 7 days (cut-off >3.85; sensitivity: 69.2%; specificity: 62.7%; AUC = 0.663) post-operation could significantly discriminate the SSI and non-SSI groups. Logistic regression analysis showed that NLR at both post-operative time points (OR = 1.218; p = 0.003 and OR = 1.296; p = 0.048) could be valuable predictors for SSI. CONCLUSION: NLR at 4 and 7 days post-operation are valuable laboratory predictors for SSI in patients with posterior lumbar spinal surgery.