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Science China Materials 2022年第2期65卷 391-399页

作者： Lijing Wang Xiaolong Yao Da Chen Jin Wang Zhenzhou Zhang Jieyu Liu Tianquan Lin Wei-Hua Wang Zhanglian Hong Fuqiang Huang Weichao Wang Integrated Circuits and Smart System Lab(Shenzhen) Renewable Energy Conversion and Storage CenterTianjin Key Laboratory of Photo-Electronic Thin Film Device and TechnologyCollege of Electronic Information and Optical EngineeringNankai UniversityTianjin 300071China Key Laboratory of Civil Aviation Thermal Hazards Prevention and Emergency Response Civil Aviation University of ChinaTianjin 300300China CAS Key Laboratory of Materials for Energy Conversion and State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050China State Key Laboratory of Silicon Materials School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China

The development of a high-performing pseudocapacitor requires a comprehensive understanding of electrode materials from the aspects of electron transfer and electrolyte ion adsorption and ***,these factors are considered over the prototype TiO_(2),and a high pseudocapacitance is achieved via the introduction of various defects,i.e.,oxygen defect(V_(O))and co-doped defect(V_(O)+N_(O)).The study is based on joint explorations of first-principle calculations and the transfer matrix *** to pristine TiO_(2)(300 F g^(-1)),defective TiO_(2) produces pseudocapacitance as high as 1700 F g^(-1).Moreover,defects induce small barriers for electron transmission caused by surface band *** climbing image nudged elastic band diffusion of H ions displays a much higher barrier in TiO_(2)-V_(O) than in TiO_(2)-V_(O)+N_(O).Such a result indicates easy H diffusion in the co-doped *** work provides insights into the adsorption and diffusion of electrolyte ions and the influence of defects on electron *** results are also significant for the design and optimization of electrode materials for the next generation of supercapacitors.

关键词： pseudocapacitance charge storage ion diffusion electron transmission

Pre-intercalation: A valuable approach for the improvement of post-lithium battery materials

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eScience 2024年第2期4卷 28-42页

作者： Charlie A.F.Nason Yang Xu Department of Chemistry University College LondonLondonWC1H 0AJUK

With the growing concern around the sustainability and supply of lithium,the need for alternative rechargeable energy storage technologies has become ever more ***-,potassium-,magnesium-,and zinc-ion batteries are fast becoming viable alternatives but are held back by capacity,rate and stability problems that have not developed comparably to lithium-ion *** overcome these shortcomings and reduce the reliance on lithium,electrode materials used for these post-lithium batteries must be ***-intercalation of foreign species into the lattice of promising electrode materials can enhance their electrochemical performance in comparison to the un-pre-intercalated counterparts,closing the performance gap with lithium-ion *** review article covers the common methods of pre-intercalating foreign species into electrode materials,the resulting structural effects and the improvements that are observed in the materials'electrochemical performance for post-lithium *** and impactful work reported previously are summarised as examples of these improvements,demonstrating the value and ever-growing importance of pre-intercalation in today's battery landscape.

关键词： Intercalation Post-lithium Batteries Energy storage Electrode materials ion diffusion Active sites

A strategy to improve the electrochemical performance of Ni-rich positive electrodes:Na/F-co-doped LiNi_(0.6)Mn_(0.2)Co_(0.2)O_(2)

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Chinese Physics B 2021年第7期30卷 184-191页

作者： Hui Wan Zhixiao Liu Guangdong Liu Shuaiyu Yi Fei Gao Huiqiu Deng Dingwang Yuan Wangyu Hu College of Materials Science and Engineering Hunan UniversityChangsha 410082China School of Physics and Electronics Hunan UniversityChangsha 410082China Department of Nuclear Engineering and Radiological Sciences University of MichiganAnn ArborMI 48109USA

Ni-rich layered lithium transition metal oxides LiNi_xMn_yCo_zO_(2)(1-y-z≥0.6)are promising candidates for cathode materials,but their practical applications are hindered by high-voltage instability and fast capacity *** density functional theory calculations,we demonstrate that Na-,F-doping,and Na/F-co-doping can stabilize the structure and result into a higher open circuit voltage than pristine LiNi_(0.6)Mn_(0.2)Co_(0.2)O_(2)(NMC622)during the charging process,which may attain greater discharge capacity.F doping may inhibit the diffusion of Li ions at the beginning and end of charging;Na doping may improve Li ion diffusion due to the increase in Li layer spacing,consistent with prior ***/F-codoping into NMC622 promotes rate performance and reduces irreversible phase transitions for two reasons:(i)a synergistic effect between Na and F can effectively restrain the Ni/Li mixing and then enhances the mobility of Li ions and(ii)Ni/Li mixing hinders the Ni ions to migrate into Li layers and thus,stabilizes the *** study proposes that a layer cathode material with high electrochemical performance can be achieved via rational dopant modification,which is a promising strategy for designing efficient Li ion batteries.

关键词： Li ion batteries ion diffusion Na/F-co-doping first-principles calculations

Strength and Chloride diffusion Behaviour of Three Generations of Repeated Recycled Fine Aggregate Concrete

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Journal of Wuhan University of Technology(Materials Science) 2018年第5期33卷 1113-1120页

作者： ZHU Pinghua LIU Wenying NIU Zhigang WEI Da HU Kun Department of Civil Engineering Changzhou UniversityChangzhou 213164China State Key Laboratory GeoMechanics and Deep Underground Engineering China University of Mining ＆ TechnologyXuzhou 221116China

The feasibility of using different generations of recycled fine aggregate（RFA） in structural concrete in a chloride environment was evaluated by studying the performance of the RFA and the corresponding concrete. The different generations of RFA were recycled by following the cycle of ‘concrete-waste concrete-fine aggregate-concrete＇. The properties of three generations of repeatedly recycled fine aggregate（RRFA） were systematically investigated, and we focused on the compressive strength and splitting tensile strength and chloride ion permeability of the related structural concretes with 25%, 75%, and 100% replacement of natural fine aggregates with RFA. The results indicated that the quality of RRFA presents a trend of slow deterioration, but the overall performance of all RRFA still fulfils the quality requirements of recycled fine aggregate for structural concrete. All RRFA concretes achieved the target compressive strength of 40 MPa after 28 days except for the second generation of the recycled aggregate concrete and the third generation of the recycled aggregate concrete with 100% replacement, and all the concrete mixes achieved the target compressive strength after 90 days. The insights obtained in this study demonstrate the feasibility of using at least three generations of RRFA for the production of normal structural concrete with a design service life of 100 years in a chloride environment.

关键词： repeated recycled concrete repeatedly recycled fine aggregate compressive strength chloride ion diffusion

The role of oxygen vacancies in metal oxides for rechargeable ion batteries

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Science China Chemistry 2021年第11期64卷 1826-1853页

作者： Runzhe Wei Yi Lu Yang Xu Department of Chemistry University College LondonLondonWC1H 0AJUK

Rechargeable ion batteries are one of the most reliable energy storage technologies for the applications ranging from small portable devices and electric vehicles to renewable energy integration and large-scale stationary energy *** the roadmap of developing and understanding new electrode materials for rechargeable ion batteries,oxygen vacancies,known as defects in metal oxides,have shown a high impact on the final electrochemical performance of the *** present review aims to summarise the synthesis methods and characterisation techniques of oxygen vacancies as well as some of the most recent and exciting progress made to understand the role of oxygen vacancies in the electrochemical performance of Li-,Na-,K-and Zn-ion *** review discusses not only the role of oxygen vacancies directly in electrode materials and indirectly in the coating layers on electrode materials,but also the synergistic role of oxygen vacancies interplaying with other contributors such as carbonaceous materials,doping,amorphisation,structural transformation,nanostructuring and functional ***,perspectives are given to stimulate new ideas and open questions to facilitate the further development of oxygen deficient electrode materials in energy research landscape.

关键词： oxygen vacancies defect chemistry metal oxide rechargeable ion batteries ion diffusion intercalation reaction conversion reaction

Reviewing and understanding the stability mechanism of halide perovskite solar cells

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InfoMat 2020年第6期2卷 1034-1056页

作者： Cai-Xin Zhang Tao Shen Dan Guo Li-Ming Tang Kaike Yang Hui-Xiong Deng Department of Applied Physics School of Physics and ElectronicsHunan UniversityChangshaChina State Key Laboratory of Superlattices and Microstructures Institute of SemiconductorsChinese Academy of SciencesBeijingChina Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijingChina

Finding sustainable and renewable energy to replace traditional fossil fuel is critical for reducing greenhouse gas emission and avoiding environment *** cells that convert energy of sunlight into electricity offer a viable route for solving this *** present,halide perovskites are the most potential candidate materials for solar cell with considerable power conversion efficiency,whereas their stability remains a *** this work,we summarize four different key factors that influence the stability of halide perovskites:(a)effect of environmental moisture on the degradation of halide *** performance of halide perovskite solar cells is reduced due to hydrated crystal hinders the diffusion of photo-generated carriers,which can be solved by materials encapsulation technique;(b)photoinduced *** uncovering the underlying physical mechanism,we note that materials engineering or novel device structure can extend the working life of halide perovskites under continuous light exposure;(c)thermal *** perovskites are rapidly degraded into PbI2 and volatile substances as heating due to lower formation energy,whereas hybrid perovskite is little changed;(d)electric field effect in the degradation of halide *** electric field impacts significantly on the carrier separation,changes direction of photo-induced currents and generates switchable photovoltaic *** each key factor,we have shown in detail the underlying physical mechanisms and discussed the strategies to overcome this stability *** expect this review from both theoretical and experimental points of view can be beneficial for development of perovskite solar cell materials and promotes practical applications.

关键词： ion diffusion perovskite solar cell stability mechanism

Emerging design principles,materials,and applications for moisture-enabled electric generation

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eScience 2022年第1期2卷 32-46页

作者： Zhaoyang Sun Xian Wen Liming Wang Dongxiao Ji Xiaohong Qin Jianyong Yu Seeram Ramakrishna Key Laboratory of Textile Science&Technology Ministry of EducationCollege of TextilesDonghua UniversityShanghai201620China Department of Mechanical Engineering National University of Singapore117574Singapore Innovation Center for Textile Science and Technology Donghua UniversityShanghai201620China

Smart generators that collect energy from the ambient environment are a new approach for meeting growing global energy *** is one of the most abundant resources in the ambient environment,and using it to generate electricity has aroused great interest in recent *** this review,we first summarize the emerging design principles of moisture power generation,including ion diffusion,streaming potential,and charged surface ***,based on these fundamental principles,we systematically summarize the materials thus far known to be suitable for moisture power ***,we highlight the application of moisture energy generators in various fields,such as thermoelectricity,solar thermal evaporation,capacitors,strain sensors,and information storage,and discuss current challenges and future prospects for the development of moisture energy generators.

关键词： Energy conversion Moisture-enabled electric generator ion diffusion Streaming potential Smart generator

Oxygen vacancy-expedited ion diffusivity in transition-metal oxides for high-performance lithium-ion batteries

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Science China Materials 2022年第6期65卷 1421-1430页

作者： Xunlu Wang Jie Liu Yifan Hu Ruguang Ma Jiacheng Wang State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 201899China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China School of Materials Science and Engineering Suzhou University of Science and TechnologySuzhou 215011China

Rapid capacity decay and inferior kinetics are the vital issues of anodes in the conversion reaction for lithium-ion *** engineering can efficiently modulate the intrinsic properties of transition-metal oxide(TMO)-based electrode materials,but the effect of oxygen vacancies on electrode performance remains ***,abundant oxygen vacancies are in situ introduced into the lattice of different TMOs(e.g.,Co_(3)O_(4),Fe_(2)O_(3),and NiO)via a facile hydrothermal treatment combined with *** Co_(3)O_(4)as a typical example,results prove that the oxygen vacancies in Co_(3)O_(4−x)effectively accelerate charge transfer at the interface and significantly increase electrical conductivity and pseudocapacitance *** Li-ion diffusion coefficient of Co_(3)O_(4−x) is remarkably improved by two orders of magnitude compared with that of Co_(3)O_(4).Theoretical calculations reveal that Co_(3)O_(4−x)has a lower Li-insertion energy barrier and more density of states around the Fermi level than Co_(3)O_(4),which is favorable for ion and electron ***,TMOs with rich vacancies exhibit superior cycling performance and enhanced rate capability over their *** strategy regulating the reaction kinetics would provide inspiration for designing other TMObased electrodes for energy applications.

关键词： oxygen vacancies ion diffusion transition-metal oxide anode density functional theory calculation

Synthesis Mechanism and High Temperature Chemical Stability of CaZrO3

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China's Refractories 2019年第3期28卷 27-32页

作者： ZHANG Guangyu WANG Ronglin LIU Yifan JI Yingying LIU Hui Key Laboratory of Inorganic Nonmetallic Materials of Hebei Province College of Material Science and Engineering North China University of Science and Technology

CaZrO3 powder was prepared using CaO,CaCO3 and Ca(OH)2 as calcium source,nano m-ZrO2 powder,micron m-ZrO2 powder,micron CaO partially stabilized ZrO2(Ca-PSZ)powder as zircon source,through high temperature solid *** of the calcination temperature(800,900,1000,1100,1200,1300,1400,1500,and 1600℃)and the holding time(3,4,and 5 h)on the phase composition change was studied to research the synthesis *** synthesized CaZrO3 powder was mixed with CaO,MgO,Al2O3,Cr2O3,SiO2,and ZrO2 powder separately and fired at 1500℃for 3 h to prepare specimens to research the high temperature chemical stability of CaZrO3 with different reaction *** results show that during the synthesis process,the CaZrO3 content does not always increase with the increasing calcination temperature or the prolonging holding time,CaZrO3 decomposes resulting from the diffusion of Ca2+and O2-in CaZrO3 to m-ZrO2 or *** high temperatures,when CaZrO3 is in alkaline environment(such as environment containing CaO or MgO),the high temperature chemical stability is high,but when CaZrO3 is not in alkaline environment(such as environment containing Al2O3,Cr2O3,SiO2 or ZrO2),the high temperature chemical stability is low.

关键词： calcium zirconate synthesis reaction phase composition ion diffusion microstructure