检索结果-南通市图书馆

Understanding the hydrogen evolution reaction activity of doped single-atom catalysts on two-dimensional GaPS_(4) by DFT and machine learning

引用

能源化学:英文版 2023年第6期81卷 93-100,I0004页

作者： Tianyun Liu Xin Zhao Xuefei Liu Wenjun Xiao Zijiang Luo Wentao Wang Yuefei Zhang Jin-Cheng Liu College of Physics and Electronic Science Guizhou Normal UniversityGuiyang 550025GuizhouChina Center for Rare Earth and Inorganic Functional Materials School of Materials Science and Engineering&National Institute for Advanced MaterialsNankai UniversityTianjin 300350China Haihe Laboratory of Sustainable chemical Transformations Tianjin 300192China College of Information Guizhou University of Finance and EconomicsGuiyang 550025GuizhouChina guizhou Provincial Key Laboratory of Computational Nano-Material Science Guizhou Education UniversityGuiyang 550018GuizhouChina

As a zero-carbon fuel,hydrogen can be produced via electrochemical water splitting using clean electric energy by the hydrogen evolution reaction(HER)process.The ultimate goal of HER catalyst is to replace the expensive Pt metal benchmark with a cheap one with equivalent activities.In this work,we investigated the possibility of HER process on single-atom catalysts(SACs)doped on two-dimensional(2D)GaPS_(4)materials,which have a large intrinsic band gap that can be regulated by doping and tensile strain.Based on the machine learning regression analysis,we can expand the prediction of HER performance to more catalysts without expensive DFT calculation.The electron affinity and first ionization energy are the two most important descriptors related to the HER behavior.Furthermore,constrain molecular dynamics with solvation models and constant potentials were applied to understand the dynamics barrier of HER process of Pt SAC on GaPS_(4)materials.These findings not only provide important insights into the catalytic properties of single-atom catalysts on GaPS_(4)2D materials,but also provides theoretical guidance paradigm for exploration of new catalysts.

关键词： Two-dimensional GaPS_(4) Hydrogen evolution reaction Single-atom catalysis First-principles calculation Machine learning

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Effect of Mixing Strategy on the Structure-Properties of the PLA/PBAT Blends Incorporated with CNC

引用

Journal of Renewable Materials 2022年第1期10卷 149-164页

作者： Deniz Sema Sarul Dogan Arslan Emre Vatansever Yusuf Kahraman Ali Durmus Reza Salehiyan Mohammadreza Nofar Polymer Science and Technology Program Institute of Science and TechnologyIstanbul Technical UniversityIstanbul34469Turkey metallurgical&Materials engineering Department Faculty of Chemical and Metallurgical EngineeringIstanbul Technical UniversityIstanbul34469Turkey Department of chemical engineering Faculty of EngineeringIstanbul University-CerrahpasaIstanbul34320Turkey Department of Materials Research and Technology Luxembourg Institute of Science and TechnologyEsch-sur-Alzette4362Luxembourg

Polylactide(PLA)/poly(butylene adipate-co-terephthalate)(PBAT)blend nanocomposites including 3 wt%of cel-lulose nanocrystals(CNCs)were prepared by melt compounding method in a twin-screw extruder and an inter-nal mixer.Blend nanocomposites were formulated by diluting three different masterbatches prepared by solution casting method that contained 7 wt%of CNC.These masterbatches were:(m1)PLA/PBAT/CNC masterbatch;(m2)PLA/CNC masterbatch;and(m3)PBAT/CNC masterbatch.These were to explore how different prepara-tion methods affect the dispersion and localization of CNC and hence the properties of PLA/PBAT/CNC blend nanocomposites.Scanning electron microscopy(SEM)was used to study the structural changes of the blends.Rheological properties of PLA/PBAT blends and PLA/PBAT/CNC blend nanocomposites were also investigated.In the samples prepared by internal mixer,the rheological behavior of blend nanocomposite prepared through premixing of CNC particles with PLA showed a transition from liquid-like to a gel-like behavior.According to the rheological results and differential scanning calorimetry(DSC)analysis,it was found that the CNC overall enhanced the viscoelastic properties of blends and improved the PLA crystallization,respectively.Dynamic mechanical analysis(DMA)illustrated that the incorporation of CNC also enhanced the elastic modulus of PLA/PBAT blends specifically above the glass transition temperature of PLA.The expected improvements in mechanical properties did not occur due to the possible existence of residual solvent in the blends.

关键词： Polylactide poly(butylene adipate-co-terephthalate) cellulose nanocrystals blend nanocomposite morphology rheology

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Adsorption of Au(Ⅲ) by amino-modified monodispersed PGMA microspheres and deposition of gold nanoparticles

引用

Rare Metals 2018年第3期37卷 196-203页

作者： Fu-Chun Wang Jun-Mei Zhao Wan-Kun Wang Zi-Zheng Tong School of Materials and metallurgical engineering Guizhou Institute of Technology institute of Process engineering Chinese Academy of Sciences

Monodispersed poly（glycidyl methacrylate）（PGMA） microspheres with various amounts of amino groups（PGMA-NH2） were used to adsorb Au（Ⅲ） from simulated wastewaters. Gold nanoparticle-coated PGMA functional microspheres can be directly obtained via the adsorption process. The adsorption kinetics follows pseudo-second model, and 10 min is enough for reaching at equilibrium. The adsorption isotherm follows Langmuir model, and the adsorption amounts for Au（Ⅲ） are 8.25 and 21.75 mol·kg^-1 at 298 and 328 K, respectively. The relative separation coefficients between Au（Ⅲ）, Pt（Ⅵ）, Pd（Ⅱ）and Co（Ⅱ）, Cu（Ⅱ）; Ni（Ⅱ）, Fe（Ⅲ） are all higher than 100 when 1 〈 pH 〈 3. Furthermore, the characterization analysis of X-ray diffraction（XRD）, thermogravimetrydifferential scanning calorimetry（TG-DSC）, scanning electron microscopy-energy dispersive spectroscopy（SEM-EDS）, transmission electron microscopy（TEM） and Fourier transform infrared spectroscopy（FTIR） confirms that AuCl4^-has been reduced to Au^0 nanoparticles and deposited onto the surface of PGMA-NH2. The current work shows a good prospect for PGMA-NH2 to be a valid adsorbent for the recovery of gold and the possible fabrication of gold nanoparticles by reduction-deposition process without any reductant.

关键词： PGMA microspheres AuCl4^- Amino groups Adsorption Reduction-deposition Elemental gold

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Halogen chlorine triggered oxygen vacancy-rich Ni(OH)_(2) with enhanced reaction kinetics for pseudocapacitive energy storage

引用

Journal of Energy Chemistry 2023年第7期82卷 296-306,I0007页

作者： Jiangyu Hao Lijin Yan Liang Luo Qiaohui Liu Youcun Bai Yuying Han Yang Zhou Xuefeng Zou Bin Xiang School of Chemistry and chemical engineering Chongqing UniversityChongqing 400044China Analytical and Testing Center Chongqing UniversityChongqing 400044China guizhou Provincial Key Laboratory of Computational Nano-Material Science Guizhou Education UniversityGuiyang 550018GuizhouChina School of Materials Science and engineering Institute of Materials Science and DeviceSuzhou University of Science and TechnologySuzhou 215009JiangsuChina

Two-dimensional (2D)Ni(OH)_(2) nanosheets can theoretically expose their active sites of 100%.Whereas,their intrinsic easy accumulation and low conductivity lead to weak and unsustainable reaction kinetics.Herein,we propose a novel halogen chlorine-triggered electrochemical etching strategy to controllably manage the reaction kinetics of 2D Ni(OH)_(2) nanosheets(EE/Cl-Ni(OH)_(2)).It is found that halogen chlorine doping can adjust the interlamellar spacing flexibly and promote the lattice oxygen activation to achieve controlled construction of superficial oxygen defects at the adjustable voltage.The optimal EE/Cl-Ni(OH)_(2) electrode exhibits a high rate capability and excellent specific capacity of 206.9 mA h g^(-1) at 1 A g^(-1) in a three-electrode system,which is more than twice as high as the pristine Ni(OH)_(2).Furthermore,EE/Cl-Ni(OH)_(2) cathode and FeOOH@rGO anode are employed for developing an aqueous Ni-Fe battery with an excellent energy density of 83 W h kg^(-1),a high power density of 17051 W kg^(-1),and robust durability over 20,000 cycles.This strategy exploits a fresh channel for the ingenious fabrication of highefficiency and stable nickel-based deficiency materials for energy storage.

关键词： Ni(OH)_(2) Electrochemical etching Lattice defects High energy density Ni-Fe battery

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Implications of twinning on the microstructure development,crystallographic texture and mechanical performance of Mg alloys-a critical review

引用

Journal of Magnesium and Alloys 2023年第11期11卷 4146-4165页

作者： Umer Masood Chaudry Hafiz Muhammad Rehan Tariq Muhammad Zubair Nooruddin Ansari Tea-Sung Jun Department of Mechanical engineering Incheon National UniversityIncheon 22012Republic of Korea Research institute for engineering and Technology Incheon National UniversityIncheon 22012Republic of Korea Department of metallurgical&Materials engineering Faculty of ChemicalMetallurgical&Materials EngineeringUniversity of Engineering&Technology(UET)LahorePakistan Department of Materials Science&engineering Chungnam National UniversityDaejeon 34134Republic of Korea

Deformation twinning is profusely activated in the Mg alloys due to lower critical resolved shear stress(CRSS) compared to the non-basal slip systems(prismatic and pyramidal ) and plays a significant role in texture reorientation, grain refinement and enhancement of mechanical performance. Twinning is a sequential process comprising twin nucleation, twin propagation and twin growth, hence several intrinsic and extrinsic parameters that facilitate or suppress the process have been critically reviewed. The dependence of twinning on the grain size, deformation temperature, favorable grain orientation and shear strain have been thoroughly discussed in the context of published literature and an attempt has been made to provide a benchmark conclusive finding based on the majority of works. Furthermore, the subsequent effect of twinning on the mechanical performance of Mg alloys, including ductility, formability and tension-compression asymmetry has been discussed in detail. Lastly, the stability of twins, including stress and thermal stability, is summarized and critical issues related to pertinent bottlenecks have been addressed.

关键词： Magnesium Twinning Twinning variant selection EBSD Texture Ductility

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Parametric study of spark plasma sintering of Al_(20)Cr_(20)Fe_(25)Ni_(25)Mn_(10) high entropy alloy with improved microhardness and corrosion

引用

International Journal of Minerals,Metallurgy and Materials 2022年第1期29卷 119-127页

作者： Andries Mthisi Nicholus Malatji A.Patricia I.Popoola L.Rudolf Kanyane Department of chemical Metallurgical and Materials EngineeringTshwane University of TechnologyP.M.B.X680PretoriaSouth Africa

Multicomponent Al_(20)Cr_(20)Fe_(25)Ni_(25)Mn_(10) alloys were synthesized using spark plasma sintering at different temperatures(800,900,and 1000℃)and holding times(4,8,and 12 min)to develop a high entropy alloy(HEA).The characteristics of spark plasma-synthesized(SPSed)alloys were experimentally explored through investigation of microstructures,microhardness,and corrosion using scanning electron microscopy coupled with energy dispersive spectroscopy(EDS),Vickers microhardness tester,and potentiodynamic polarization,respectively.Xray diffraction(XRD)characterization was employed to identify the phases formed on the developed alloys.The EDS results revealed that the alloys consisted of elements selected in this work irrespective of varying sintering parameters.The XRD,EDS,and scanning electron microscopy collectively provided evidence that the fabricated alloys were characterized by globular microstructures exhibiting face-centered cubic phase,which was formed on a basis of solid solution mechanism.This finding implies that the SPSed alloy showed the features of HEAs.The alloy produced at 1000℃ and holding time of 12 min portrayed an optimal microhardness of HV 447.97,but the value decreased to HV 329.47 after heat treatment.The same alloy showed an outstanding corrosion resistance performance.The increase in temperature resulted in an Al_(20)Cr_(20)Fe_(25)Ni_(25)Mn_(10) alloy with superior density,microhardness,and corrosion resistance over the other alloys developed at different parameters.

关键词： high entropy alloy spark plasma sintering microhardness corrosion

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Solute drag-controlled grain growth in magnesium investigated by quasi in-situ orientation mapping and level-set simulations

引用

镁合金学报(英文) 2023年第7期11卷 2312-2325页

作者： Risheng Pei Yujun Zhao Muhammad Zubair Sangbong Yi Talal Al-Samman Institut für Metallkunde und Materialphysik RWTH Aachen University52056 AachenGermany institute of Materials and Process Design Helmholtz-Zentrum Hereon21502 GeesthachtGermany Department of metallurgical and Materials engineering Faculty of ChemicalMetallurgical&Polymer EngineeringUniversity of Engineering&Technology(UET)LahorePakistan institute for Materials Ruhr-Universität Bochum44801 BochumGermany

Critical properties of metallic materials,such as the yield stress,corrosion resistance and ductility depend on the microstructure and its grain size and size distribution.Solute atoms that favorably segregate to grain boundaries produce a pinning atmosphere that exerts a drag pressure on the boundary motion,which strongly affects the grain growth behavior during annealing.In the current work,the characteristics of grain growth in an annealed Mg-1 wt.%Mn-1 wt.%Nd magnesium alloy were investigated by advanced experimental and modeling techniques.Systematic quasi in-situ orientation mappings with a scanning electron microscope were performed to track the evolution of local and global microstructural characteristics as a function of annealing time.Solute segregation at targeted grain boundaries was measured using three-dimensional atom probe tomography.Level-set computer simulations were carried with different setups of driving forces to explore their contribution to the microstructure development with and without solute drag.The results showed that the favorable growth advantage for some grains leading to a transient stage of abnormal grain growth is controlled by several drivers with varying importance at different stages of annealing.For longer annealing times,residual dislocation density gradients between large and smaller grains are no longer important,which leads to microstructure stability due to predominant solute drag.Local fluctuations in residual dislocation energy and solute concentration near grain boundaries cause different boundary segments to migrate at different rates,which affects the average growth rate of large grains and their evolved shape.

关键词： Magnesium alloys Grain growth Quasi in-situ EBSD Level-set simulation Solute drag Dislocation density gradient

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Optimization of iron and aluminum recovery in bauxite

引用

Journal of Iron and Steel Research(International) 2020年第3期27卷 310-318页

作者： Qian Long Jun-qi Li Chao-yi Chen Yuan-pei Lan Guo-ling Wei Department of metallurgical engineering College of Materials and MetallurgyGuizhou UniversityGuiyang 550025GuizhouChina guizhou Province Key Laboratory of metallurgical engineering and Process Energy Saving Guiyang 550025GuizhouChina

Recovering iron and aluminum efficiently is the key route to utilize low-grade high-iron bauxite.Aiming to optimize the iron separating process and elevate both Fe and Al recovery ratio,three different Fe-Al recovery processes with different magnetic roasting(R),Bayer leaching process(L)and magnetic separation(S)orders were investigated.The studied processes include bauxite leaching→red mud roasting→magnetic separation(L-R-S),bauxite roasting→magnetic separation→leaching(R-S-L)and bauxite roasting→leaching→magnetic separation(R-L-S).The iron recovery ratio,Fe2O3 content in iron concentration and the bauxite dissolution ratio of each process were investigated.Moreover,the optimizations of the leaching,roasting and magnetic separation conditions were studied.Results indicate that the R-S-L process should be an advisable order to recover both alumina and iron.In the three processes,the R-S-L route had the highest alumina dissolution ratio and iron recovery ratio,which was 86.20%and 69.58%,respectively,while the Fe2O3 content of the iron concentrate was 40.66%.

关键词： High-iron bauxite Magnetic roasting Magnetic separation Recovery ratio Dissolution ratio

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Separation of Sc_(2)O_(3) from Bayan Obo tailings through an innovative roasting method

引用

Rare Metals 2022年第3期41卷 1071-1076页

作者： Xin-Jun Bao Zhi-Jian Wang Liu-Jiang Xi Ji-Bo Liu Zheng-Fu Su Tao Yang Wei Cheng De-Bi Zhou institute for Energy-Storing Materials Research Hunan Rare Earth Metal Material Research InstituteChangsha 410126China College of Chemistry and chemical engineering Central South UniversityChangsha 410083China School of metallurgical engineering Hunan University of TechnologyZhuzhou 412007China

Sc_(2)O_(3)was successfully extracted and separated from Bayan Obo tailings by a CaCl_(2)-reductive carbon powder-combinative roasting method.The optimum pro-cess condition was obtained through adjusting specific ef-fect factors.It is found that Sc_(2)O_(3)with the ratio of 87.51%is leached out under roasting temperature of 800℃for 2 h through adding 73%CaCl_(2),and 20%reductive carbon powder with liquid to solid ratio of 3.Moreover,the specific reaction mechanism during roasting process was investi-gated by thermogravimetric–differential scanning calorimetry(TG-DSC)and X-ray diffraction(XRD)tech-niques.The results show that the main phases(SiO_(2),CaF_(2) and NaFeSi_(2)O_(6))as well as important phases(LiScSi_(2)O_(6),REFCO_(3)and REPO_(4))would turn into new phases(CaFe-SiO_(4),Fe,Ca_(3)(PO_(4))_(2),NaCl,RE_(2)O_(3)and Sc_(2)O_(3))after com-plicated reactions,which effectively break up the original mineral compositions and activate the existing state of containing scandium matter,consequently facilitating the subsequent hydrochloric acid leaching process.

关键词： Bayan Obo tailings Roasting Decomposition Sc_(2)O_(3)

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Synthesis and characterization of LiFePO_4/C composite used as lithium storage electrodes

引用

中国有色金属学会会刊：英文版 2004年第2期14卷 237-240页

作者：胡国荣张新龙彭忠东廖刚禹筱元 College of metallurgical Science and engineering institute of Material and chemical engineering

LiFePO4/C composites with good rate capability and high energy density were prepared by adding sugar to the synthetic precursor. A significant improvement in electrode performance was achieved. The resulting carbon contents in the sample 1 and sample 2 are 3.06% and 4.95%（mass fraction）, respectively. It is believed that the synthesis of LiFePO4 with sugar added before heating is a good method because the synthesized particles having uniform small size are covered by carbon. The performance of the cathodes was evaluated using coin cells. The samples were characterized by X-ray diffraction and scanning electron microscope observation. The addition of carbon limits the particles size growth and enables high electron conductivity. The LiFePO4/C composites show very good electrochemical performance delivering about 142 mAh/g specific capacity when being cycled at the C/10 rate. The capacity fade upon cycling is very small.

关键词：锂离子电池正极材料磷酸锂 LiFePO4/C 复合材料电极过程

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：