Enhancing hydrogen evolution of MoS2 basal planes by combining single-boron catalyst and compressive strain

MoS₂ is a promising candidate for hydrogen evolution reaction (HER), while its active sites are mainly distributed on the edge sites rather than the basal plane sites. Herein, a strategy to overcome the inertness of the MoS₂ basal surface and achieve high HER activity by combining single-boron catalyst and compressive strain was reported through density functional theory (DFT) computations. The ab initio molecular dynamics (AIMD) simulation on B@MoS₂ suggests high thermodynamic and kinetic stability. We found that the rather strong adsorption of hydrogen by B@MoS₂ can be alleviated by stress engineering. The optimal stress of −7% can achieve a nearly zero value of ΔG_H (~ −0.084 eV), which is close to that of the ideal Pt–SACs for HER. The novel HER activity is attributed to (i) the B– doping brings the active site to the basal plane of MoS₂ and reduces the band-gap, thereby increasing the conductivity; (ii) the compressive stress regulates the number of charge transfer between (H)–(B)–(MoS₂), weakening the adsorption energy of hydrogen on B@MoS₂. Moreover, we constructed a SiN/B@MoS₂ heterojunction, which introduces an 8.6% compressive stress for B@MoS₂ and yields an ideal ΔGH. This work provides an effective means to achieve high intrinsic HER activity for MoS₂.     

HIT太阳电池衬底形貌修饰及其应用研究

在HIT太阳电池非晶硅沉积过程中,单晶硅衬底的绒面金字塔沟壑处易发生外延生长,影响电池输出性能.采用碱性体系(NaClO溶液)对硅片进行绒面形貌修饰,在NaOH的各向异性刻蚀和NaClO的氧化作用下,金字塔结构由尖锐的四面体向较圆滑的“锥形”转变,尤其金字塔底部变得平滑.随着形貌修饰时间的增加,样品表面平均反射率呈线性增大,从未修饰样品的12.48;升高至13.79;,钝化后硅片少子寿命显著提升,绒面形貌修饰有效改善了界面钝化质量,中长波外量子效率提升,从而实现电池电性能的提升.样品绒面形貌修饰45 min后,开路电压从656.3 mV升高至699.8 mV,转换效率提高1.8;.此外,研究了反应温度对表面形貌修饰及HIT太阳电池性能的影响,基于70℃、10; NaClO溶液、45 min的绒面修饰条件下制备的HIT太阳电池转换效率达到最高,为12.02;.     

Competition of spiral waves in heterogeneous CGLE systems

Nonlinear Dynamics - The effects of spatial heterogeneity on a two-dimensional complex Ginzburg–Landau equation model are studied. In general, the interaction of a pair of spiral waves with a...     

Thermal Catalytic-Cracking Low-Density Polyethylene Waste by Metakaolin-Based Geopolymer NaA Microsphere

Metakaolin-based geopolymer microspheres (MGM) with hierarchical pore structures were prepared by suspension dispersion method in dimethicone at 80 °C. The hydrothermal modification of MGM was carried out at a lower temperature of 80 °C, and a NaA molecular sieve converted from metakaolin-based geopolymer (NMGM) with good crystal structure was prepared and applied in thermal catalytic cracking of low-density polyethylene (LDPE) reaction. The one-pot two-stage thermal catalytic cracking of LDPE was carried out in a 100 mL micro-autoclave under normal pressure. In this work, the optimal proportions and optimal reaction conditions of catalysts for NMGM thermal catalytic cracking of LDPE waste to fuel oil were investigated. The NMGM catalyst showed high selectivity to the liquid product of thermal catalytic cracking of waste LDPE. Under the reaction conditions of reaction time of 1 h and reaction temperature of 400 °C, the liquid-phase yield of thermal catalytic cracking of LDPE reached a high of 88.45%, of which the content of gasoline components was 10.14% and the content of diesel components was 80.97%.     

Two new hydrogen bond-supported supramolecular compounds assembly from polyoxovanadate and organoamines

Two novel organic-inorganic hybrid compounds based on organoamines and polyoxovanadates formulated as (H₂dien)₄[H₁₀V₁₈O₄₂(PO₄)](PO₄)·2H₂O (1) (dien=diethylenetriamine) and (Him)₈[HV₁₈O₄₂(PO₄)] (2) (im=imidazole) have been prepared under hydrothermal conditions by using different starting materials, and characterized by elemental analyses, IR, ESR, XPS, TGA and single-crystal X-ray diffraction analyses. Crystal data for compound 1: C₁₆H₇₄N₁₂O₅₂V₁₈P₂, Monoclinic, space group C2/c, a=23.9593(4) Å, b=13.0098(2) Å, c=20.1703(4) Å, β=105.566(3)°, V=6056.6(19) Å³, Z=4; for compound 2, C₂₄H₄₁N₁₆O₄₆V₁₈P, Tetragonal, space group I4/mmm, a=13.5154(8) Å, b=13.5154(8) Å, c=19.1136 Å, β=90°, V=3491.4(3) Å³, Z=2. Compound 1 consists of protonated diens together with polyoxovanadates [H₁₀V₁₈O₄₂(PO₄)]⁵⁻. Compound 2 is composed of protonated ims and polyoxovanadates [HV₁₈O₄₂(PO₄)]⁸⁻. There are hydrogen-bonding interactions between polyoxovanadates and different organoamines in 1 and 2. Polyoxovanadates are linked through H₂dien into a three-dimensional network via hydrogen bonds in 1, while polyoxovanadates are linked by Him into a two-dimensional layer network via hydrogen bonds in 2. The crystal packing patterns of the two compounds reveal various supramolecular frameworks.     

振动翼型和襟翼的绕流特性研究

用数值模拟手段详细地研究了振动翼型和襟翼的绕流问题,数值模拟的出发方程为Euler和N-S方程,格式为Bcam-Warming格式的改进型。数值实验主要针对流场的二大特性进行的,即振动对激波的影响和振动对分离的抑制作用,结果表明:(1)随翼型或襟翼的振动激波强度和位置也相应地变化但这一变化滞后于攻角的变化;(2)振幅加大激波强度的变化和激波运动范围也加大;(3)振动频率越高对激波的影响反而较低频时要小;(4)流动条件的不同可使升力回线的走向发生变化;(5)振动对分离有明显的抑制作用。     

结构动力优化设计述评与展望

结构动力优化设计是当前工程结构设计研究领域中的前沿性课题。文中着重从结构动力特性优化、结构动力响应设计、结构动力灵敏度分析和基于可靠性的结构动力优化设计等四个专题方面对结构动力优化设计研究的发展与现状进行了述评,并粗略地展望了结构动力优化研究未来的发展趋势。      

K0超固结土的不排水抗剪强度

结合K0超固结上模型、旋转角w公式、临界状态不排水条件以及基于SMP的变换应力张量建立了不排水抗剪强度的统一表达式;采用三轴压缩、三轴拉伸的应力洛德角θ、旋转角w建立了三轴压缩、三轴拉伸条件下的不排水抗剪强度公式;基于临界状态士力学,推导出了平面应变条件下的应力洛德角θ、旋转角w的表达式,进而得到平面应变条件下的不排水抗剪强度公式.分别采用三轴压缩、三轴拉伸和平面应变条件下试验数据对所提出的不排水抗剪强度公式进行验证,预测结果和试验数据的基本吻合表明了不排水抗剪强度公式的合理性.     

竖向不规则结构抗震性能研究现状及其在设计规范中的应用

结构竖向不规则布置是导致结构地震损伤破坏的主要原因之一.介绍了建筑结构沿竖向的强度、刚度和质量不规则布置的定义、不规则的主要内容及其在地震作用下损伤破坏的特点;总结回归了钢筋混凝土竖向不规则结构地震反应需求的研究现状以及国际上典型的结构设计规范中结构竖向不规则条款的限定.针对竖向不规则结构目前的研究现状,提出了今后值得进一步加强研究的方向.      

Cytosolic escape of mitochondrial DNA triggers cGAS-STING-NLRP3 axis-dependent nucleus pulposus cell pyroptosis

Low back pain (LBP) is a major musculoskeletal disorder and the socioeconomic problem with a high prevalence that mainly involves intervertebral disc (IVD) degeneration, characterized by progressive nucleus pulposus (NP) cell death and the development of an inflammatory microenvironment in NP tissue. Excessively accumulated cytosolic DNA acts as a damage-associated molecular pattern (DAMP) that is monitored by the cGAS-STING axis to trigger the immune response in many degenerative diseases. NLRP3 inflammasome-dependent pyroptosis is a type of inflammatory programmed death that promotes a chronic inflammatory response and tissue degeneration. However, the relationship between the cGAS-STING axis and NLRP3 inflammasome-induced pyroptosis in the pathogenesis of IVD degeneration remains unclear. Here, we used magnetic resonance imaging (MRI) and histopathology to demonstrate that cGAS, STING, and NLRP3 are associated with the degree of IVD degeneration. Oxidative stress induced cGAS-STING axis activation and NLRP3 inflammasome-mediated pyroptosis in a STING-dependent manner in human NP cells. Interestingly, the canonical morphological and functional characteristics of mitochondrial permeability transition pore (mPTP) opening with the cytosolic escape of mitochondrial DNA (mtDNA) were observed in human NP cells under oxidative stress. Furthermore, the administration of a specific pharmacological inhibitor of mPTP and self-mtDNA cytosolic leakage effectively reduced NLRP3 inflammasome-mediated pyroptotic NP cell death and microenvironmental inflammation in vitro and degenerative progression in a rat disc needle puncture model. Collectively, these data highlight the critical roles of the cGAS-STING-NLRP3 axis and pyroptosis in the progression of IVD degeneration and provide promising therapeutic approaches for discogenic LBP.Subject terms: Cell death, Diseases