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Suitable energy platform significantly improves charge separation of g-C3N4 for CO2 reduction and pollutant oxidation under visible-light
This study is helpful to synthesize efficient photocatalysts to cope with energy and environmental issues.Graphical abstract (Source: Progress in Natural Science: Materials International)
Source: Progress in Natural Science: Materials International - May 28, 2019 Category: Materials Science Source Type: research

Simulation of dynamic recrystallization for an Al-Zn-Mg-Cu alloy using cellular automaton
Publication date: Available online 7 May 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Jie Zhang, Zhihui Li, Kai Wen, Shuhui Huang, Xiwu Li, Hongwei Yan, Lizhen Yan, Hongwei Liu, Yongan Zhang, Baiqing XiongAbstractA cellular automata (CA) model has been developed to predict and control the microstructure evolution during hot deformation on 7085 aluminum alloy. The initial microstructure and thermal-mechanical parameters were used as the input data of the CA model. To link microstructure evolution with macroscopic flow stress, dislocation density was set as an important internal state variable. ...
Source: Progress in Natural Science: Materials International - May 7, 2019 Category: Materials Science Source Type: research

Template/surfactant free and UV light irradiation assisted fabrication of Mn-Co oxides composite nanorings: Structure and synthesis mechanism
Publication date: Available online 24 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Wentao Jiang, Xiaonan Hu, Muhammad Yaseen, Liyi Shi, Dengsong Zhang, Jianping Zhang, Lei HuangAbstractA facile, green, cost effective, and template or surfactant free strategy via a two-step route i.e. UV irradiation followed by dissolution-growth for the controlled synthesis of Mn-Co composite nanorings at room temperature was proposed. The nanorings structures and the process were systematically studied via TEM, HRTEM, EDX and XRD. Bir-MnO2 nanosheets first formed through the direct photolysis of KMnO4 u...
Source: Progress in Natural Science: Materials International - April 25, 2019 Category: Materials Science Source Type: research

First-principles investigation of structural and electronic properties of oxygen adsorbing phosphorene
Publication date: Available online 24 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Zhiqiang Wang, Dianlong Zhao, Shidong Yu, Zikai Nie, Yuwei Li, Lijun ZhangAbstractTwo-dimensional (2D) phosphorene has been extensively studied for potential electronic and optoelectronic applications. It is easily oxidized by adsorbing oxygen in the air, exhibiting changed materials stability and properties. Yet the impact of oxygen concentrations on stability and electronic properties of oxygen adsorbing phosphorene has never been systematically investigated. In this article, the oxygen adsorbing phospho...
Source: Progress in Natural Science: Materials International - April 25, 2019 Category: Materials Science Source Type: research

Boosting charge collection efficiency via large-area free-standing Ag/ZnO core-shell nanowire array electrodes
Publication date: Available online 23 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Yuyi Feng, Paul Kim, Clayton A. Nemitz, Kwang-Dae Kim, Yoonseok Park, Karl Leo, James Dorman, Jonas Weickert, Yongtian Wang, Lukas Schmidt-MendeAbstractHybrid nanostructures, comprising of a metal core and a semiconductor shell layer, show great potential for a new generation of low-cost solar cells due to their unique electronic and optical properties. However, experimental results have fallen far short of the ultra-high efficiency (i.e. beyond Shockley-Queisser limit) predicted by theoretical simulations...
Source: Progress in Natural Science: Materials International - April 24, 2019 Category: Materials Science Source Type: research

High-throughput modeling of atomic diffusion migration energy barrier of fcc metals
Publication date: Available online 22 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Yuchao Feng, Min Liu, Yongpeng Shi, Hui Ma, Dianzhong Li, Yiyi Li, Lei Lu, Xing-Qiu ChenAbstractIn crystalline solids, to computationally determine atomic migration energy barrier is a highly time consuming challenge within the framework of Density Functional Theory (DFT). Through first-principle calculations, here we have proposed a simple, high-throughput formula to fast, effectively calculate atomic migration energy barrier for fcc metals through three basic parameters of materials, the equilibrium volu...
Source: Progress in Natural Science: Materials International - April 24, 2019 Category: Materials Science Source Type: research

Earth-abundant photovoltaic semiconductor NaSbS2 in the rocksalt-derived structure: A first-principles study
Publication date: Available online 23 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Xian Zhang, Menglin Huang, Peng Xu, Chen-Min Dai, Zeng-Hua Cai, Dan Han, Shiyou ChenAbstractNaSbS2 was recently proposed as a novel photovoltaic semiconductor with earth-abundant component elements, but its fundamental material properties have not been well studied. The systematical first-principles calculations for its electronic, optical and defect properties were carried out in the present study, and the results show that: i) NaSbS2 in the rocksalt-derived structure has a quasi-direct band gap and thus ...
Source: Progress in Natural Science: Materials International - April 24, 2019 Category: Materials Science Source Type: research

Macrosegregation and the underlying mechanism in Ti-6.5Al-1.0Cr-0.5Fe-6.0Mo-3.0Sn-4.0Zr alloy
Publication date: Available online 22 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Xin Liu, Guang Feng, Yu Zhou, Qunbo FanAbstractA novel method for the analysis of composition distribution of titanium alloys over a large area (64 mm × 72 mm) was investigated by exploring the original position statistic distribution based on spark spectrum (OPA-SS) in Ti-6.5Al-1.0Cr-0.5Fe-6.0Mo-3.0-Sn-4.0Zr titanium alloy. The results showed that OPA-SS could characterize the distribution of elements in different positions on the titanium alloy. The macrosegregation of Sn was the most pronounced...
Source: Progress in Natural Science: Materials International - April 22, 2019 Category: Materials Science Source Type: research

Synthesis of magnetically recoverable visible-light-induced photocatalysts by combination of Fe3O4/ZnO with BiOI and polyaniline
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Aziz Habibi-Yangjeh, Maryam Shekofteh-GohariAbstractMagnetically recyclable photocatalysts with efficient performances under visible light were synthesized by combining Fe3O4/ZnO with BiOI and polyaniline (PANI). The FT-IR, XRD, HRTEM, SEM, EDX, XPS, UV–vis DRS, VSM, BET, and PL instruments were utilized for characterization of the as-prepared products. The activity tests exhibited that the superior rate constant in photocatalytic performance was achieved over the Fe3O4/ZnO/BiOI/PANI (20%) nanocomposite,...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Fabrication and electrochemical properties of 3D nano-network LiFePO4@multiwalled carbon nanotube composite using risedronic acid as the phosphorus source
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Liping He, Wenke Zha, Dachuan ChenAbstractLiFePO4@multiwalled carbon nanotubes (LFP@MWCNTs) nanocomposite has been fabricated using risedronic acid (RDA) as a new eco-friendly phosphorus source. Microscopic, spectroscopic, and electrochemical characterization demonstrate that the MWCNTs are in the form of coiled and cross-linking nanoribbon, which wrapped and encrusted around LiFePO4 particles to form a three-dimensional (3D) nano-network composite. This microstructure of 3D nano-network is obtained due to...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Effect of heat treatment on microstructures and properties of a novel Al-Zn-Mg-Cu alloy for oil drilling
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Yanjun Fu, Xiwu Li, Kai Wen, Shuhui Huang, Yang Dong, Mao Rao, Fubo Yang, Yugang Wang, Baiqing Xiong, Zhihui LiAbstractIn view of the special requirements for strength, heat resistance and corrosion resistance of Al-Zn-Mg-Cu alloy for oil drilling, the Al-6.2Zn-2.5Mg-1.6Cu alloy was prepared by increasing Cu content on basis of Russian Series 1953 alloy. The effect of heat treatment on the microstructures and properties of the alloy was characterized by optical microscope (OM), scanning electron microscope...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Dielectric properties of porous SiC/Si3N4 ceramics by polysilazane immersion-pyrolysis
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Xiao Lin, Hongyu Gong, Yujun Zhang, Jianqiang Bi, Yurun Feng, Yu Liu, Shan WangAbstractThe SiC nanotubes were synthesized on porous Si3N4 matrix by polysilazane immersion-pyrolysis. The β-SiC and free C contents increased with the increasing dipping times, which cause some clear vibration and loss peaks of the dielectric constant patterns emerged at around 12.9 GHz and 14.7 GHz in the samples of 20 wt% and 30 wt% benzoic acid, respectively. The reflectivity of the obtained ceramics were −7dB â...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Density functional theory calculations: A powerful tool to simulate and design high-performance energy storage and conversion materials
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Xi Wu, Feiyu Kang, Wenhui Duan, Jia LiAbstractSearching for high-performance energy storage and conversion materials is currently regarded as an important approach to solve the energy crisis. As a powerful tool to simulate and design materials, the density functional theory (DFT) method has made great achievements in the field of energy storage and conversion. This review highlights the ways in which DFT calculations can be used to simulate and design high-performance materials for batteries, capacitors, a...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Preparation and anisotropic thermophysical properties of SiC honeycomb/Al-Mg-Si composite via spontaneous infiltration
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Zhejian Zhang, Zhongqi Shi, Biguo Yang, Bangzhi Ge, Xiaoyu Zhang, Yajie GuoAbstractThe SiC honeycomb/Al-Mg-Si composite with interpenetrated microstructure was prepared by spontaneous infiltration of Al-8wt%Mg-7wt%Si alloy into directional porous SiC honeycomb served as reinforcement. The microstructure and anisotropic thermophysical properties of this composite were also examined. The results showed that the initial microstructure of the SiC honeycomb can be retained and the as-prepared SiC honeycomb/Al-M...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research

Atomic simulations of packing patterns and thermal behavior in Ti clusters
Publication date: Available online 20 April 2019Source: Progress in Natural Science: Materials InternationalAuthor(s): Lin ZhangAbstractAtomic simulations using an embedded atom method (EAM) potential were performed to study changes of packing patterns in titanium clusters containing tens to thousands of atoms. The findings revealed that the changes came from the movements and rearrangements of surface atoms in a large temperature range, and they were strongly dependent on cluster size and elevated temperatures. Small size clusters with icosahedron (Ih) configurations of geometric shell closures were preferred. As the clus...
Source: Progress in Natural Science: Materials International - April 21, 2019 Category: Materials Science Source Type: research