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1.
Based on the primal mixed variational formulation, a stabilized nonconforming mixed finite element method is proposed for the linear elasticity on rectangular and cubic meshes. Two kinds of penalty terms are introduced in the stabilized mixed formulation, which are the jump penalty term for the displacement and the divergence penalty term for the stress. We use the classical nonconforming rectangular and cubic elements for the displacement and the discontinuous piecewise polynomial space for the stress, where the discrete space for stress are carefully chosen to guarantee the well-posedness of discrete formulation. The stabilized mixed method is locking-free. The optimal convergence order is derived in the $L^2$-norm for stress and in the broken $H^1$-norm and $L^2$-norm for displacement. A numerical test is carried out to verify the optimal convergence of the stabilized method. 相似文献
2.
Meng-Meng Zhao Lin Zhou Ping-Ping Shi Xuan Zheng Xiao-Gang Chen Ji-Xing Gao Lei He Prof. Dr. Qiong Ye Prof. Dr. Cai-Ming Liu Prof. Dr. Da-Wei Fu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(25):6447-6454
Organic–inorganic hybrid perovskite-type multiferroics have attracted considerable research interest owing to their fundamental scientific significance and promising technological applications in sensors and multiple-state memories. The recent achievements with divalent metal dicyanamide compounds revealed such malleable frameworks as a unique platform for developing novel functional materials. Herein, two 3D organic–inorganic hybrid perovskites [Et3P(CH2)2F][Mn(dca)3] ( 1 ) and [Et3P(CH2)2Cl][Mn(dca)3] ( 2 ) (dca=dicyanamide, N(CN)2−) are presented. Accompanying the sequential phase transitions, they display a broad range of intriguing physical properties, including above room temperature ferroelastic behavior, switchable dielectricity, and low-temperature antiferromagnetic ordering (Tc=2.4 K for both 1 and 2 ). It is also worth noting that the spontaneous strain value of 1 is far beyond that of 2 in the first ferroelastic phase, as a result of the precise halogen substitution. From the point view of molecular design, this work should inspire further exploration of multifunctional molecular materials with desirable properties. 相似文献
3.
Ke Xu Evan T. Vickers Longshi Rao Dr. Sarah A. Lindley A'Lester C. Allen Prof. Binbin Luo Prof. Xueming Li Prof. Jin Zhong Zhang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(19):5014-5021
CH3NH3PbBr3 perovskite quantum dots (PQDs) are synthesized by using four different linear alkyl phosphonic acids (PAs) in conjunction with (3-aminopropyl)triethoxysilane (APTES) as capping ligands. The resultant PQDs are characterized by means of XRD, TEM, Raman spectroscopy, FTIR spectroscopy, UV/Vis, photoluminescence (PL), time-resolved PL, and X-ray photoelectron spectroscopy (XPS). PA chain length is shown to control the PQD size (ca. 2.9–4.2 nm) and excitonic absorption band positions (λ=488–525 nm), with shorter chain lengths corresponding to smaller sizes and bluer absorptions. All samples show a high PL quantum yield (ca. 46–83 %) and high PL stability; this is indicative of a low density of band gap trap states and effective surface passivation. Stability is higher for smaller PQDs; this is attributed to better passivation due to better solubility and less steric hindrance of the shorter PA ligands. Based on the FTIR, Raman, and XPS results, it is proposed that Pb2+ and CH3NH3+ surface defects are passivated by R−PO32− or R−PO2(OH)−, whereas Br− surface defects are passivated by R−NH3+ moieties. This study establishes the combination of PA and APTES ligands as a highly effective dual passivation system for the synergistic passivation of multiple surface defects of PQDs through primarily ionic bonding. 相似文献
4.
S. Sidi Ahmed G. Dimitri Ngantso M. Boujnah A. Benyoussef A. El Kenz 《Physics letters. A》2019,383(2-3):121-126
By using the density functional theory (DFT) and Monte Carlo simulations (MCS) with the Heisenberg model, we have studied magnetic properties of the bulk perovskite YCrO3. The exchange couplings of the Heisenberg model and the magnetic anisotropy are investigated. The 110 direction in the crystalline structure of the compound has shown the minimum energy, it is the easy magnetic direction. Using Monte Carlo simulations, the magnetizations behavior, the effects of system parameters and the critical exponents of the compound YCrO3 are implemented. It is shown that the bulk perovskite YCrO3 belongs to the 3D Heisenberg universality class. 相似文献
5.
m‐Methoxy Substituents in a Tetraphenylethylene‐Based Hole‐Transport Material for Efficient Perovskite Solar Cells 下载免费PDF全文
Dr. Fei Wu Jianlin Liu Gang Wang Prof. Qunliang Song Dr. Linna Zhu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(46):16636-16641
Three tetrapheynlethylene derivatives (N,N‐di(4‐methoxyphenyl)aminophenyl‐substituted tetraphenylethylene; TPE‐4DPA) with different methoxy positions (pp‐, pm‐, and po‐) have been synthesized and characterized. The methoxy groups can control the oxidation potential of the materials, and the electronic properties of the derivatives were affected by the position of the methoxy substituents. These compounds were synthesized in a facile and cost‐effective way, and were applied as hole‐transport materials in perovskite solar cells. The corresponding cell performances were compared with respect to their structure modifications, and it was found that the derivative with m‐OMe substituents showed the highest power conversion efficiency (PCE) of 15.4 %, with a Jsc value of 20.04 mA cm?2, a Voc value of 1.07 V, and a fill factor (FF) value of 0.72, which is higher than the p‐OMe and o‐OMe substituents. Moreover, the PCE of pm‐TPE‐4DPA is comparable with that of the state‐of‐the‐art 2,2′,7,7′‐tetrakis(N,N′‐di‐p‐methoxyphenylamine)‐9,9′‐spirobifluorene under identical conditions. 相似文献
6.
Christopher Cueto Colleen Donoghue Kimberly Bolduc Prof. Todd Emrick 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(30):e202200409
Traditional hot injection methods for the preparation of cesium lead halide perovskite nanocrystals (CsPbX3 PNCs, where X=Cl, Br, or I) rely on small molecule surfactants to produce PNCs with cube, plate, or rod-like morphologies. Here, we describe a new method whereby zwitterionic block copolymers are employed as macromolecular ligands in PNC synthesis, affording PNCs with excellent colloidal stability, high photoluminescence quantum yield, and in some cases distinctly non-cubic shapes. The block copolymers used in this study – composed of a poly(n-butyl methacrylate) hydrophobic block and zwitterionic methacrylate hydrophilic blocks – dissolve in useful solvents for PNC growth despite containing large mole percentages of zwitterionic groups. PNCs prepared with block copolymer ligands were found to disperse and retain their fluorescence in a range of polar organic solvents and were amenable to direct integration into optically transparent nanocomposite thin films with high PNC content. 相似文献
7.
Fangping Zhou Zhao Zhao Ming Xu Prof. Ting Wang Huiru Yang Rong Wang Jiahui Wang Prof. Haibo Li Prof. Ming Feng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(14):e202104157
Perovskite is a promising non-noble catalyst and has been widely investigated for the electrochemical oxygen evolution reaction (OER). However, there is still serious lack of valid approaches to further enhance their catalytic performance. Herein, we propose a spin state modulation strategy to improve the OER electrocatalytic activity of typical perovskite material of LaCoO3. Specifically, the electronic configuration transition was realized by a simple high temperature thermal reduction process. M-H hysteresis loop results reveal that the reduction treatment can produce more unpaired electrons in 3d orbit by promoting the electron transitions of Co from low spin state to high spin state, and thus lead to the increase of the spin polarization. Electrochemical measurements show that the catalytic performance of LaCoO3 is strongly dependent on its electronic configuration. With the optimized reduction treatment, the overpotential for the OER process in 0.5 M KOH electrolyte solution at 10 mA cm−2 current density was 396 mV, significantly lower than that of the original state. Furthermore, it can mediate efficient OER with an overpotential of 383 mV under an external magnetic field, which is attributed to the appropriate electron filling. Our results show that electron spin state regulation is a new way to boost the OER electrocatalytic activity. 相似文献
8.
Hao Sun Cunlu Dong Aijun Huang Prof. Haijuan Zhan Dr. Gang Wang Prof. Wanyi Liu Prof. Baojun Ma Prof. Wei Wang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(28):e202200019
Transition metal Fe, Co, Ni and Cu doped strontium titanate-rich SrTiO3@TiO2 (STO@T) materials were prepared by hydrothermal method. The prepared doped materials exhibit better photocatalytic CO2 reduction to CH4 ability under visible light conditions. Among them, Fe-doped and undoped SrTiO3@TiO2 under visible light conditions CO2 reduction products only CO, while M-STO@T (M=Co, Ni, Cu) samples converted CO2 to CH4. The average methane yield of Ni-doped STO@T samples are as high as 73.85 μmol g−1 h−1. The production of methane is mainly due to the increase in the response of the doped samples to visible light. And the increase in the separation rate of photogenerated electrons and holes and the efficiency of electron transport caused by the generation of impurity levels. The impurity level caused by Ti3+ plays an important role in the production of methane by CO2 visible light reduction. Ni doping effectively improves the photocatalytic performance of STO@T and CO2 reduction mechanism were explained. 相似文献
9.
科技创新的根源是基于基础科学研究的提升,而“从0到1”的突破是需要长期的积累和灵感的。本文讲述了发现压力诱导发光这一新现象的思想和材料设计。 相似文献
10.
《Physics letters. A》2020,384(9):126186
The phase diagrams and magnetic properties of double perovskite have been studied by using Monte Carlo simulation based on the heat bath algorithm. The ground-state diagrams of the compound have been calculated for different combinations of system parameters. The diagrams obtained are very rich and they give an idea of all the most stable configurations. The effects of the exchange interactions and the crystal field on the phase diagrams and magnetic properties of the system have been examined. A number of interesting phenomena have been observed such as the compensation temperature, the first and second order phase transitions, the critical triple point and the terminal critical point. 相似文献