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Switching Reaction Pathway of Medium-Concentration Ether Electrolytes to Achieve 4.5 V Lithium Metal Batteries (vol 23, pg 8481, 2023)

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NANO LETTERS 2023年第21期23卷 10097-10097页

作者： Jiang, Zhipeng Deng, Yu Mo, Jisheng Zhang, Qingan Zeng, Ziqi Li, Yongtao Xie, Jia School of Materials Science and Engineering Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal Materials of Ministry of Education Anhui University of Technology Maanshan 243002 China State Key Laboratory of Advanced Electromagnetic Engineering and Technology School of Electrical and Electronic Engineering Huazhong University of Science and Technology Wuhan 430074 China

Pursuing high-energy-density lithium metal batteries (LMBs) necessitates the advancement of electrolytes. Despite demonstrating high compatibility with lithium metal anodes (LMAs), ether-based electrolytes face challenges in achieving stable cycling at high voltages. Herein, we propose a strategy to enhance the high-voltage stability of medium-concentration (∼1 M) ether electrolytes by altering the reaction pathway of ether solvents. By employing a 1 M lithium difluoro(oxalato)borate in dimethoxyethane (LiDFOB/DME) electrolyte, we observed that LiDFOB displays a pronounced tendency for decomposition over DME, leading to a modification in the decomposition pathway of DME. This modification facilitates the formation of a stable organic–inorganic hybrid interface. Utilizing such an electrolyte, the Li-LCO cell demonstrates a discharge specific capacity of 146 mAh g–1 (5 C) and maintains retention of 86% over 1000 cycles at 2 C under a 4.5 V cutoff voltage. Additionally, the optimized ether electrolyte demonstrated outstanding cycling performance in Li-LCO full cells under practical conditions.

关键词： lithium metal battery electrolyte high-voltage ether interface

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Phase equilibrium of Cd_(1-x)Zn_xS alloys studied by first-principles calculations and Monte Carlo simulations

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Chinese Physics B 2016年第1期25卷 549-555页

作者：张付珍薛红涛汤富领李小康路文江冯煜东 State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Department of Materials Science and EngineeringLanzhou University of TechnologyLanzhou 730050China Science and Technology on Surface Engineering Laboratory Lanzhou Institute of PhysicsLanzhou 730000China

The first-principles calculations based on density functional theory combined with cluster expansion techniques and Monte Carlo （MC） simulations were used to study the phase diagrams of both wurtzite （WZ） and zinc-blende （ZB） Cdl_xZnxS alloys. All formation energies are positive for WZ and ZB Cdl-xZnxS alloys, which means that the Cdl-xZnxS alloys are unstable and have a tendency to phase separation. For WZ and ZB Cdl_xZnxS alloys, the consolute temperatures are 655 K and 604 K, respectively, and they both have an asymmetric miscibility gap. We obtained the spatial distributions of Cd and Zn atoms in WZ and ZB *** alloys at different temperatures by MC simulations. We found that both WZ and ZB phases of *** alloy exhibit phase segregation of Cd and Zn atoms at low temperature, which is consistent with the phase diagrams.

关键词： first-principles calculation Monte Carlo simulations phase separation spatial distribution

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Lattice structures and electronic properties of WZ-CuInS2/WZ-CdS interface from first-principles calculations

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Chinese Physics B 2016年第12期25卷 207-216页

作者：柳红霞汤富领薛红涛张宇程育汶冯煜东 State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Department of Materials Science and Engineering Lanzhou University of Technology Lanzhou 730050 China Science and Technology on Surface Engineering Laboratory Lanzhou Institute of Physics Lanzhou 730000 China

Using the first-principles plane-wave calculations within density functional theory, the perfect bi-layer and monolayer terminated WZ-CIS （100）/WZ-CdS （100） interfaces are investigated. After relaxation the atomic positions and the bond lengths change slightly on the two interfaces. The WZ-CIS/WZ-CdS interfaces can exist stably, when the interface bonding energies are -0.481 J/m2 （bi-layer terminated interface） and -0.677 J/m2 （monolayer terminated interface）. Via analysis of the density of states, difference charge density and Bader charges, no interface state is found near the Fermi level. The stronger adhesion of the monolayer terminated interface is attributed to more electron transformations and orbital hybridizations, promoting stable interfacial bonds between atoms than those on a bi-layer terminated interface.

关键词： first-principles calculation WZ-CIS/WZ-CdS interface density of states interface bonding en-ergy interface states

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A review of CoSb_(3)-based skutterudite thermoelectric materials

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Journal of advanced Ceramics 2020年第6期9卷 647-673页

作者： Zhi-Yuan LIU Jiang-Long ZHU Xin TONG Shuo NIU Wen-Yu ZHAO School of Materials Science and Engineering Anhui University of TechnologyMaanshan 243002China Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal Materials Ministry of EducationAnhui University of TechnologyMaanshan 243002China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

The binary skutterudite CoSb_(3) is a narrow bandgap semiconductor thermoelectric(TE)material with a relatively flat band structure and excellent electrical ***,thermal conductivity is very high because of the covalent bond between Co and Sb,resulting in a very low ZT ***,researchers have been trying to reduce its thermal conductivity by the different optimization *** addition,the synergistic optimization of the electrical and thermal transport parameters is also a key to improve the ZT value of CoSb_(3) material because the electrical and thermal transport parameters of TE materials are closely related to each other by the band structure and scattering *** review summarizes the main research progress in recent years to reduce the thermal conductivity of CoSb_(3)-based materials at atomic-molecular scale and nano-mesoscopic *** also provide a simple summary of achievements made in recent studies on the non-equilibrium preparation technologies of CoSb_(3)-based materials and synergistic optimization of the electrical and thermal transport *** addition,the research progress of CoSb_(3)-based TE devices in recent years is also briefly discussed.

关键词： skutterudite CoSb_(3)-based materials lattice thermal conductivity synergistic optimization thermoelectric properties thermoelectric devices

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A new catalyst for urea oxidation: NiCo2S4 nanowires modified 3D carbon sponge

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Journal of Energy Chemistry 2020年第11期29卷 195-205页

作者： Biaopeng Li Congying Song Jianjun Rong Jing Zhao Hong-En Wang Ping Yang Ke Ye Kui Cheng Kai Zhu Jun Yan Dianxue Cao Guiling Wang Key Laboratory of Superlight Materials and Surface Technology of Ministry of Education College of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001HeilongjiangChina State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina

Urea oxidation is a significant reaction for utilizing urea-rich wastewater or human urine as sustainable power sources which can ease the water eutrophication while generate electricity. A direct urea-hydrogen peroxide fuel cell is a new kind of fuel cell employing urea as fuel and hydrogen peroxide as oxidant which possesses a larger cell voltage. Herein, this work tries to promote the kinetics process of urea oxidation by preparing low-cost and high-efficient NiCo2S4 nanowires modified carbon sponge electrode. The carbon sponge used in this work with a similar three-dimensional multi-channel structure to Ni foam, is prepared by carbonizing recycled polyurethane sponge which is also a process of recycling waste. The performance of the prepared catalyst in an alkaline solution is investigated in a three-electrode *** the introduction of Co element to the catalyst, a reduced initial urea oxidation potential and a high performance are obtained. Furthermore, a direct urea-hydrogen peroxide fuel cell is assembled using the NiCo2S4 nanowires modified carbon sponge anode. Results indicate that the prepared catalyst provides a chance to solve the current problems that hinder the development of urea electrooxidation(high initial urea oxidation potential, low performance, and high electrode costs).

关键词： Carbon sponge Direct urea fuel cell Electrocatalyst NiCo2S4 nanowires Urea oxidation

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Preparation of micro-patterned surfaces of Si-N-O films and their influence on adhesion behavior of endothelial cells

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Science China(Technological Sciences) 2010年第1期53卷 257-263页

作者： ZHENG Nan,YANG Ping,WANG QiYi,YANG ZhongHai & HUANG Nan key laboratory of advanced technology for Materials of Education Ministry,key laboratory of Artificial Organ surface engineering of Sichuan,School of Materials Science and engineering,Southwest Jiaotong University,Chengdu 610031,China 1. Key Laboratory of Advanced Technology for Materials of Education Ministry Key Laboratory of Artificial Organ Surface Engineering of Sichuan School of Materials Science and Engineering Southwest Jiaotong University Chengdu 610031 China

Microgrooves were prepared on Si(100) surface by photolithography and wet ***,Si-N-O films were deposited on the microgrooves by unbalanced magnetron sputtering(UBMS) and micro-patterned surfaces of Si-N-O films were *** size of the micropatterns was measured by surface *** chemical composition of Si-N-O films were characterized by X-ray photoelectron spectrometry(XPS) and the wettability of the micropatterned surfaces was evaluated by contact angle *** behavior of endothelial cells adhered on the micro-patterned surfaces,including cells adhesion,proliferation and orientation,was evaluated by cell culture test and Alamar blue *** results showed that the amount and activity of endothelial cells on micro-patterned samples were higher than those on flat *** one day's incubation,the cells were well guided along the *** days later,most of the cells grew across the grooves and contacted each *** activity was also much higher than that on flat *** was suggested that the adhesion and proliferation of endothelial cells could be effectively enhanced by micropattern method.

关键词： micropatterns Si-N-O film endothelial cell unbalanced magnetron sputtering

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Deformation and damage behaviors of as-cast TiAl-Nb alloy during creep

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Progress in Natural Science:Materials International 2018年第5期28卷 618-625页

作者： Shunke Zhang Sugui Tian Xiaoxia Lv Huichen Yu Ning Tian Zehui Jiao Guoqi Zhao Deyuan Li Guizhou University of Engineering Science Shenyang University of Technology AECC Key Laboratory of Science and Technology on Materials Testing and Evaluation National Key Laboratory of Science and Technology on Advanced High Temperature Structure Materials AECC Beijing Institute of Aeronautical Materials

By means of creep properties measurement and microstructure observation,the deformation and damage behavior of an as-cast TiAl-Nb alloy during creep at temperature near 750°C were *** results showed that the microstructure of the alloy consisted of lamellarγ/α;phase,and the boundaries consisted ofγphase located in between lamellarγ/α;phases with different *** the latter stage of creep,the dislocation networks appeared in the interfaces of lamellarγ/α;phases due to the coarsening of them,which made the coherent interface transforming into the semi-coherent one for reducing its adhesive *** deformation mechanism of the alloy during creep was twinning and dislocations slipping within lamellarγ/α;*** the later period of creep,significant amount of dislocations plied up in the interfaces of lamellarγ/α;phases,which may cause the stress concentration to promote the initiation and propagation of the cracks along the lamellarγ/α;interfaces perpendicular to the stress ***,some cracks on the various cross-sections were connected by tearing edge along the direction of maximum shear stress,up to the creep fracture,which is considered to be the damage and fracture mechanism of alloy during creep at 750°C.

关键词： TiAl-Nb alloy Creep Dislocation network Deformation mechanism Fracture mechanism

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Synthesis of Ti_2CT_x MXene as electrode materials for symmetric supercapacitor with capable volumetric capacitance

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Journal of Energy Chemistry 2019年第4期28卷 11-18页

作者： Kai Zhu Yuming Jin Fei Du Shuang Gao Zhongmin Gao Xing Meng Gang Chen Yingjin Wei Yu Gao Key Laboratory of Superlight Materials and Surface Technology Ministry of Education College of Materials Science and Chemical Engineering Harbin Engineering University Key Laboratory of Physics and Technology for Advanced Batteries Ministry of Education College of Physics Jilin University State Key Laboratory of Inorganic Synthesis and Preparative Chemistry Jilin University State Key Laboratory of Superhard Materials Jilin University

Two-dimensional(2D)metal carbides,MXene,present the promising application for the energy storage *** the MXene family,Ti_2CT_xas the lightest material,shows its unique electrochemical ***,Ti_2CT_xis synthesized by selective etching Al layer from the Ti_2Al *** the optimized HF treating condition,Ti_2CT_xdisplays high volumetric capacitance and remarkable rate ***,the Ti_2CT_x//Ti_2CT_xsymmetric supercapacitor is designed and assembled,which presents capable capacitance,outstanding rate performance and excellent cycling *** remarkable electrochemical performance is attributed to its 2D structure and high electronic *** work demonstrates the potential application of the Ti_2CT_xfor the supercapacitors and provides a template to design highperformance supercapacitors with 2D electrode materials.

关键词： Supercapacitor Two-dimensional material Ti2CTx MXene

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Cu doped VO 2 cathode materials for ultra-stable and high-performance aqueous zinc-ion batteries

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Journal of Electroanalytical Chemistry 2025年

作者： Zihan Wang Mengwei Chang Heshun Geng Cui Peng Pengcheng Song Fang Hu Junhua You Kai Zhu School of Materials Science and Engineering Shenyang University of Technology Shenyang Key Laboratory of Advanced Energy Materials and Renewable Resources Shenyang 110870 Liaoning China Key Laboratory of Superlight Materials and Surface Technology of Ministry of Education College of Materials Science and Chemical Engineering Harbin Engineering University Harbin 150010 Heilongjiang China

Vanadium-based materials are considered to be the most promising cathode materials for aqueous zinc-ion batteries. Unfortunately, the existence of electrostatic forces between vanadium-based materials materials and zinc ions, as well as their poor intrinsic electrical conductivity and unstable structure, have further hindered the development of vanadium-based materials. Hence, a lamellar nanoflower-structured Cu 0.05 VO 2 cathode material is prepared by Cu doped VO 2 in the tunnel to improve its electrical conductivity and weaken the electrostatic repulsion force between it and zinc ions. The Cu 0.05 VO 2 cathode can deliver a high capacity of up to 416 mAh g −1 at 0.5 A g −1 and maintain a capacity retention rate of 95.4 % after 6000 cycles at 10 A g −1 . Experimental and theoretical calculations show that both the electrical conductivity and the zinc ion transport rate are greatly enhanced in Cu 0.05 VO 2 . Therefore, the Cu 0.05 VO 2 cathode material shows potential for use in AZIBs.

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A Triphenylamine-Functionalized Co-Assembly Material for Record Efficiency Inverted CsPbI3Perovskite Solar Cells

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Angewandte Chemie 2025年

作者： Dongfang Xu Huaiman Cao Zihao Fan Baihui Wang Yongzhe Li Rui Sun Yong Li Jieke Tan Hongjie Lei Prof. Yuwei Duan Prof. Hongtao Bian Prof. Ze Yu Prof. Zhike Liu Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 China State Key Laboratory of Fine Chemicals Frontier Science Center for Smart Materials Dalian University of Technology (DUT) Dalian 116024 China College of Materials and Chemistry & Chemical Engineering Chengdu University of Technology Chengdu 610059 China

The precise regulation of self-assembled monolayer (SAM) distribution and interfacial modification is pivotal for advancing the performance of p-i-n inverted perovskite solar cells (PSCs). Here, a new co-assembly material, 4-(aminomethyl)- N , N -diphenylaniline iodide (TPAI), is developed to make SAM orderly assembled. Density functional theory (DFT) calculation and sum frequency generation (SFG) spectroscopy reveal that TPAI binds with SAM via π-π interactions, effectively suppressing SAM aggregation and enhancing the orderliness of self-assembly. Further characterization by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) demonstrates that ─NH 3 group in TPAI coordinates with undercoordinated Pb 2+ to passivate defects of cesium lead triiodide (CsPbI 3 ) film. The TPAI modification creates a defect-minimized buried interface with optimized energy alignment, significantly improving hole extraction and transport kinetics. Consequently, the TPAI-treated CsPbI 3 PSCs achieve a high power conversion efficiency (PCE) of 21.60%, the highest reported value for inverted CsPbI 3 PSCs, maintaining 96.71% initial PCE after tracking at maximum power point (MPP) for 1400 h. This work provides a molecular-level strategy for interfacial engineering, advancing the development of efficient and durable perovskite photovoltaics.

关键词： CsPbI3 Co-assembly material Inverted perovskite solar cells Self-assembled molecules Triphenylamine

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