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General synthesis of sponge-like ultrafine nanoporous metals by dealloying in citric acid

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Nano Research 2016年第8期9卷 2467-2477页

作者： hongjie xu Shujie Pang Yu Jin Tao Zhang ing 100191 China

A general method is proposed to synthesize ultrafine nanoporous Cu, Ag, and Ni with novel sponge-like morphologies, high porosities, and large surface areas. The materials are produced by dealloying Mgc~/IzsY10 （M = Cu, Ag, and Ni） metallic glasses in citric acid. Citric acid played a key role due to its capping effect, which reduced the surface diffusion of metals. A structural model consistent with the sponge-like morphology was constructed to calculate the porosity and the surface area. The mechanism of the dealloying process in citric acid, involving ligament formation and coarsening, was illustrated. The mechanism was capable of explaining the experimental trends of dealloying, especially the morphology. A glucose sensor, which can be further developed into a high-precision real-time glucose monitor for medical use, was constructed using sponge-like nanoporous copper. Our findings are not only relevant to understanding the dealloying mechanism of metallic glasses, but also provide promising materials for multiple applications.

关键词： sponge-like nanoporousmetals citric acid surface diffusion metallic glasses ultrafine structure

First Principle Material Genome Approach for All Solid-State Batteries

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Energy & Environmental Materials 2019年第4期2卷 234-250页

作者： hongjie xu Yuran Yu Zhuo Wang Guosheng Shao State Center for International Cooperation on Designer Low-Carbon&Environmental Materials(CDLCEM) Zhengzhou University100 Kexue AvenueZhengzhou 450001China Zhengzhou Materials Genome Institute Building 2Zhongyuanzhigu Xingyang 450100China

Due to ever-increasing concern about safety issues in using alkali metal ionic batteries, all solid-state batteries (ASSBs) have attracted tremendous attention. The foundation to enable high-performance ASSBs lies in delivering ultra-fast ionic conductors that are compatible with both alkali anodes and high-voltage cathodes. Such a challenging task cannot be fulfilled, without solid understanding covering materials stability and properties, interfacial reactions, structural integrity, and electrochemical windows. Here in this work, we will review recent advances on fundamental modeling in the framework of material genome initiative based on the density functional theory (DFT), focusing on solid alkali batteries. Efforts are made in offering a dependable road chart to formulate competitive materials and construct "better" batteries.

关键词： all solid-state batteries(ASSBs) electrolytes material genome method

Self-consistent assessment of Li^(+) ion cathodes:Theory ***

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Journal of Energy Chemistry 2021年第8期30卷 229-241,I0006页

作者： hongjie xu Weidong Xiao Zhuo Wang Junhua Hu Guosheng Shao School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China Centre for International Cooperation on Designer Low-carbon&Environmental Materials(CDLCEM) Zhengzhou UniversityZhengzhou 450001China Zhengzhou Materials Genome Institute(ZMGI) Zhengzhou 450100China

Transition metal oxide cathodes such as layered Li Co O_(2),spinel Li Mn_(2)O_(4) and olivine Li Fe PO4 have been commercialized for several decades and widely used in the rechargeable Li-ion batteries(LIBs).While great theoretical efforts have been made using the density functional theory(DFT)method,leading to insightful understanding covering materials stability and functional properties,the lack of consistency in choices of functionals and/or convergence criteria makes it somewhat difficult to compare *** is therefore highly useful to assess these established systems towards self-consistency,thus offering a reliable working basis for theoretical formulation of novel *** in this work,we have carried out systematic DFT calculations on the basis of recently established framework covering both thermodynamic stability,functional properties and associated *** have been made in selfconsistent selection of exchange-correlation(XC)functionals in terms of dependable accuracy with affordable computational cost,which is essential for high-throughput first-principles *** outcome of the current work on three established cathode systems is in very good agreement with experimental data,and the methodology is to provide a solid basis for designing novel cathode materials without using costing non-local exchange-correlation functionals for structure-energy calculations.

关键词： Li-ion batteries Intercalation-type oxide cathodes Ab initio approaches Self-consistency Density functional theory

Nondestructive analysis by combined X-ray tomography on a synchrotron radiation facility

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Nuclear Science and Techniques 2007年第5期18卷 257-260页

作者： DENG Biao YU Xiaohan LIAiguo xu hongjie Shanghai Institute of Applied Physics Chinese Academy of Sciences Shanghai 201800 China

A nondestructive X-ray analysis technique combining transmission tomography, fluorescence tomography and Compton tomography based on synchrotron radiation is described. This novel technique will be an optional experimental technique at SSRF's hard X-ray micro-focusing beamline under construction at present. An experimental result of combined X-ray tomography is obtained in NE-5A station of PF. The reconstructed images of test objects are given.

关键词： X线扫描图象重列同步加速器物理实验

Production Characteristics and the Control Factors of Surface Wells for Relieved Methane Drainage in the Huainan Mining Area

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Acta Geologica Sinica(English Edition) 2011年第4期85卷 932-941页

作者： xu hongjie SANG Shuxun FANG Liangcai HUANG Huazhou School of Resources and Geoscience China University of Mining and TechnologyKey laboratory of CBM Resource and Reservoir-Generating ProcessesChina Ministry of EducationXuzhou 221008China Huainan Mining Group Huainan 232001China

Based on the production data of a large number of surface drainage wells in the Huainan mining area,the present study shows that four types of typical production characteristics for relieved methane wells are recognized,of which the stable type for production and gas concentration is the most dominate,as determined by a comprehensive study on the volume and concentration of drained gases, as well as the stress changes of rocks influenced by *** influence factors for the productive differences of the drainage wells were also been *** results indicate that protective coal-seam mining has a significant effect on overlying strata,which promotes the development of pores and fractures of coal reservoirs for methane desorption and migration;however,the production and the stability of drainage wells are affected by deformation and damage of the overlying *** second distribution of strata stress is caused by mining engineering,and if the stress load is larger than the carrying capacity of the extraction well,the gas production would be influenced by the drainage well that has been damaged by rock ***,the case damage occurs first in the weak, lithologic interface by its special mechanical *** stability of drainage wells and the production status are also influenced by the different drilling techniques,uneven distribution of gas concentration,and combination of gob gas and methane from the protected layer.

关键词： relieved methane surface drainage well Huainan mining area production characteristic control factor

Multi-responsive wholly aromatic sulfonated polyamide ultra-sensitive to pH value

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Science China Chemistry 2012年第12期55卷 2503-2506页

作者： ZHAO Jing xu hongjie JIANG xueSong YIN Jie School of Chemistry and Chemical Engineering State Key Laboratory of Metal Matrix CompositeShanghai Jiao Tong UniversityShanghai 200240China

We demonstrated here a new family of multi-responsive polymer:wholly aromatic sulfonated polyamide(SPA).SPA exhibited the unusual response to temperature and pH with the tunable low critical solution temperature(LCST).LCST of the obtained SPA decreased sharply with the increasing pH,and the difference of LCST between pH 6.0-6.8 is about 60 ℃.

关键词： sulfonated polyamide multi-responsive pH

Planar Li growth on Li_(21)Si_(5)modified Li metal for the stabilization of anode

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Journal of Materials Science & Technology 2021年第17期76卷 156-165页

作者： Liuyang Cao xue Cheng hongjie xu Guoqin Cao Junhua Hu Guosheng Shao School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China State Center for International Cooperation on Designer Low-Carbon&1 Environmental Materials(CDLCEM) Zhengzhou UniversityZhengzhou 450001China Zhengzhou Materials Genome Institute(ZMGI) Xingyang 450100China Institute for Renewable Energy and Environmental Technologies University of BoltonBolton BL35ABUK

Lithium(Li)metal is widely considered the ultimate anode for future rechargeable ***,dendritic growth and related parasitic reactions during long-term cycling often lead to severe safety hazards and catastrophic ***,we fabricate a hybrid anode by coating single-phase Li_(21)Si_(5)on lithium *** resultant electrodes show a stable cycle and depressed polarization in symmetric and half cells.A planar plating/stripping behavior is observed on the modified *** investigation of the interplay of Li and Li_(21)Si_(5)shows relatively large adsorption energy in the Li-Si *** deposition and stripping are surface processes,and Li_(21)Si_(5)maintains its intrinsic phase *** deposited Li layer around Li_(21)Si_(5)also has the advantage of diminished preferred orientation,which also contributes to the planar growth of *** LiFePO4(LFP)and LiNi1/3Co1/3 Mn1/3O2(NCM)cathodes were applied to further demonstrate the enhanced rate and cycle performance.

关键词： Lithium anode Planar growth Density functional theory Core-shell structure Adsorption energy

Beam Induced Degradation Effect in Ion Beam Analysis of Polymer

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Chinese Physics Letters 1991年第9期8卷 472-475页

作者： YANG Guohua ZHU Dezhang PAN Haochang xu hongjie CHEN Shoumian Shanghai Institute of Nuclear Research Academia SinicaShanghai 201800

The question of whether ion beam analysis technique can be applied to the study of polymers has been *** of mylar foil under MeV ion beam irradiation was *** order to describe the degradation process of mylar foil under ion beam irradiation quantitatively,only one dose-independent degradation cross section for each of hydrogen and oxygen was *** results suggest that proton or He^(+) ion combined with rotation of the target(scanning area of 20mm^(2))can be used to study the mylar foil without substantially changing the compositions of the target up to ion fluence 5 × 10^(15)/cm^(2).

关键词： rotation beam degradation

3D reconstruction of coal pore network and its application in CO_(2)-ECBM process simulation at laboratory scale

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Frontiers of Earth Science 2022年第2期16卷 523-539页

作者： Huihuang FANG hongjie xu Shuxun SANG Shiqi Liu Shuailiang SONG Huihu LIU State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines Anhui University of Science and TechnologyHuainan 232001China School of Earth and Environment Anhui University of Science and TechnologyHuainan 232001China Institute of Energy Hefei Comprehensive National Science CenterHefei 230000China Jiangsu Key Laboratory of Coal-based Greenhouse Gas Control and Utilization China University of Mining and TechnologyXuzhou 221008China Low Carbon Energy Institute China University of Mining and TechnologyXuzhou 221008China Shandong Provincial Lunan Geo-engineering Exploration Institute Jining 272100China

Three-dimensional(3D)reconstruction of the equivalent pore network model(PNM)using X-ray computed tomography(CT)data are of significance for studying the CO_(2)-enhanced coalbed methane recovery(CO_(2)-ECBM).The docking among X-ray CT technology,MATLAB,with COMSOL software not only can realize the 3D reconstruction of PNM,but also the CO_(2)-ECBM process *** results show that the Median filtering algorithm enabled the de-noising of the original 2D CT slices,the image segmentation of all slices was realized based on the selected threshold,and the PNM can be constructed based on the Maximum Sphere *** mathematical model of CO_(2)-ECBM process fully coupled the expanded Langmuir *** the same time for CO_(2)injection,CH_(4)pressure tends to decrease with the increase of CO_(2)pressure,but its difference is not *** CH_(4)pressure in the slice center changed a lot,while at the edge it changed a little under different CO_(2)*** injected CO_(2)was transported to matrix along the macro and micro-fractures with continuous *** injected CO_(2)first replaced the adsorbed CH_(4)by covering the inner surface of macro-pores and meso-pores to form the single molecular layer adsorption of CO_(2).Then they migrated to micro-pores by Fick’s diffusion,sliding flow,and surface ***,the CO_(2)replaced CH_(4)adsorbed by volumetric filling in micro-pores,and formed the multi-molecular layer adsorption of CO_(2).The gas pressure and migration path between CO_(2)and CH_(4)are *** study can provide a theoretical basis for studying digital rock physics technology and enrich the development of CO_(2)-ECBM technology.

关键词： CO_(2)-ECBM 3D reconstruction numerical simulation X-ray CT COMSOL Qinshui Basin