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Effect of Curing Regime on Degree of Al^(3+) Substituting for Si^(4+) in C-S-H Gels of Hardened Portland Cement Pastes 被引量:5
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作者 胡晨光 胡曙光 +2 位作者 DING Qingjun FENG Xiaoxin HUANG Xiulin 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2014年第3期546-552,共7页
The effect of curing regime on degree ofAl3+ substituting for Si^4+ (Al/Si ratio) in C-S-H gels of hardened Portland cement pastes was investigated by 29Si magic angel spinning (MAS) nuclear magnetic resonance ... The effect of curing regime on degree ofAl3+ substituting for Si^4+ (Al/Si ratio) in C-S-H gels of hardened Portland cement pastes was investigated by 29Si magic angel spinning (MAS) nuclear magnetic resonance (NMR) with deconvolution technique. The curing regimes included the constant temperature (20, 40, 60 and 80 ℃) and variable temperature (simulated internal temperature of mass concrete with 60 ℃ peak). The results indicate that constant temperature of 20 ℃ is beneficial to substitution ofAl3+ for Si4+, and AI/Si ratio changes to be steady after 180 d. The increase of Al/Si ratio at 40 ℃is less than that at 20℃ for 28 d. The other three regimes of high temperature increase Al/Si ratio only before 3 d, on the contrary to that from 3 to 28 d. However, the 20 ℃ curing stage from 28 to 180 d at variable temperature regime, is beneficial to the increase of AI/Si ratio which is still lower than that at constant temperature regime of 20 ℃ for the same age. A nonlinear relation exists between the Al/Si ratio and temperature variation or mean chain length (MCL) of C-S-H gels, furthermore, the amount ofAl3+ which can occupy the bridging tetrahedra sites in C-S-H structure is insufficient in hardened Portland cement pastes. 展开更多
关键词 constant temperature variable temperature degree of Al3+ substituting for Si4+ C-S-H hardened cement pastes
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Effects of substituting Ni with M (M=Cu, Al and Mn) on microstructures and electrochemical characteristics of La-Mg-Ni system (PuNi_3-type) electrode alloys 被引量:2
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作者 ZHANG Yanghuan ZHAO Dongliang DONG Xiaoping REN Huiping GUO Shihai WANG Xinlin 《Rare Metals》 SCIE EI CAS CSCD 2006年第z1期25-32,共8页
In order to improve the electrochemical cycle stability of La-Mg-Ni system (PuNi3-type) hydrogen storage alloy, Ni in the alloys was partially substituted by M (M=Cu, Al, Mn). A new La-Mg-Ni system electrode alloys La... In order to improve the electrochemical cycle stability of La-Mg-Ni system (PuNi3-type) hydrogen storage alloy, Ni in the alloys was partially substituted by M (M=Cu, Al, Mn). A new La-Mg-Ni system electrode alloys La0.7Mg0.3Ni2.55-xCo0.45Mx (M=Cu, Al, Mn; x=0, 0.1) were prepared by casting and rapid quenching. The effects of element substitution and rapid quenching on the microstructures and electrochemical performances of the alloys were investigated. The results by XRD, SEM and TEM show that the alloys have a multiphase structure, including the (La, Mg)Ni3 phase, the LaNi5 phase and the LaNi2 phase. The rapid quenching and element substitution have an imperceptible influence on the phase compositions of the alloys, but both change the phase abundance of the alloys. The rapid quenching significantly improves the composition homogeneity of the alloys and markedly decreases the grain size of the alloys. The Cu substitution promotes the formation of an amorphous phase in the as-quenched alloy, and a reversal result by the Al substitution. The electrochemical measurement indicates that the element substitution decreases the discharge capacity of the alloys, whereas it obviously improves the cycle stability of the alloys. The positive influence of element substitution on the cycle life of the alloys is in sequence Al>Cu>Mn, and negative influence on the discharge capacity is in sequence Al>Mn>Cu. The rapid quenching significantly enhances the cycle stability of the alloys, but it leads to a different extent decrease of the discharge capacity of the alloys. 展开更多
关键词 element substitution rapid quenching La-Mg-Ni system electrode alloy MICROSTRUCTURES electrochemical performances
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Effect of Substituting Group on the Calculated Nonlinear Second-Order Optical Susceptibilities of Substituted Thiophene Derivatives with Quinoidlike Conformation
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作者 LI Zhi-ru WANG Xiao-peng PENG Ji-kang andSUN Chia-chun(Department of Chemistry and Institute of Theoretical Chemistry,Jilin University,Changchun,130023) 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1995年第4期336-341,共6页
alculations of the nonlinear second-order optical susceptlbilities(β_(ijk))for sub- stituted tl1iophene derivative;with quinoidlike conformation are reported.These systetems possess small dipole moment;and large diff... alculations of the nonlinear second-order optical susceptlbilities(β_(ijk))for sub- stituted tl1iophene derivative;with quinoidlike conformation are reported.These systetems possess small dipole moment;and large differences between dipole mo- ments of ground and first-excited states.Geometry optimizations of the molecules investigated were carried out using AM 1 method.The calculations were performed using INDO/CI method comboned with a sum-over-states expression for β_(jik). The calculated results sbw that the second-order susceptibility is a function of the na- ture and location of substituents and is larger for disubstituted molecules than monosubstituted molecules. Bipolymeric thiophenemetmne with NH_2/NO_2 groups was calctilated to have a β_μof 79. 920 × 10 ̄(-30) esu. It was found that the NH_2 and NO_2 groups in above disubstituted molecules are pull-pull groups in ground states,but are usual push-pull groups in the first excited states. 展开更多
关键词 Nonlinear second-order optical susceptibility INDO/CI Substituted thiophene derivatives
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Highly Improved Electrochemical Performances of the Nanocrystalline and Amorphous Mg_2Ni-type Alloys by Substituting Ni with M (M=Cu,Co,Mn)
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作者 张羊换 YUAN Zeming +3 位作者 YANG Tai ZHAI Tinging LIU Zhuocheng GUO Shihai 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2017年第3期685-694,共10页
The element Ni in the Mg2Ni alloy is partially substituted by M(M = Cu, Co, Mn) in order to ameliorate the electrochemical hydrogen storage performances of Mg2Ni-type electrode alloys. The nanocrystalline and amorph... The element Ni in the Mg2Ni alloy is partially substituted by M(M = Cu, Co, Mn) in order to ameliorate the electrochemical hydrogen storage performances of Mg2Ni-type electrode alloys. The nanocrystalline and amorphous Mg20Ni10-xMx(M = None, Cu, Co, Mn; x = 0-4) alloys were prepared by melt spinning. The effects of the M(M = Cu, Co, Mn) content on the structures and electrochemical hydrogen storage characteristics of the as-cast and spun alloys were comparatively studied. The analyses by XRD, SEM and HRTEM reveal that all the as-cast alloys have a major phase of Mg2Ni but the M(M = Co, Mn) substitution brings on the formation of some secondary phases, MgCo2 and Mg for the(M = Co) alloy, and Mn Ni and Mg for the(M = Mn) alloy. Besides, the as-spun(M = None, Cu) alloys display an entirely nanocrystalline structure, whereas the as-spun(M = Co, Mn) alloys hold a nanocrystalline/amorphous structure, suggesting that the substitution of M(M = Co, Mn) for Ni facilitates the glass formation in the Mg2Ni-type alloys. The electrochemical measurements indicate that the variation of M(M = Cu, Co, Mn) content engenders an obvious effect on the electrochemical performances of the as-cast and spun alloys. To be specific, the cyclic stabilities of the alloys augment monotonously with increasing M(M = Cu, Co, Mn) content, and the capacity retaining rate(S20) is in an order of(M = Cu) 〉(M = Co) 〉(M = Mn) 〉(M = None) for x≤1 but changes to(M = Co) 〉(M = Mn) 〉(M = Cu) 〉(M = None) for x≥2. The discharge capacities of the as-cast and spun alloys always grow with the rising of M(M = Co, Mn) content but first mount up and then go down with increasing M(M = Cu) content. Whatever the M content is, the discharge capacities are in sequence:(M = Co) 〉(M = Mn) 〉(M = Cu) 〉(M = None). The high rate discharge abilities(HRDs) of all the alloys grow clearly with rising M(M = Cu, Co) content except for(M = Mn) alloy, whose HRD has a maximum value with varying M(M = Mn) content. Furthermore, for the as-cast alloys, the HRD is in order of(M = Co) 〉(M = Mn) 〉(M = Cu) 〉(M = None), while for the as-spun(20 m·s^-1) alloys, it changes from(M = Co) 〉(M = Mn) 〉(M = Cu) 〉(M = None) for x = 1 to(M = Cu) 〉(M = Co) 〉(M = None) 〉(M = Mn) for x = 4. 展开更多
关键词 Mg2Ni-type alloy element substitution melt spinning nanocrystalline and amorphous electrochemical performances
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Effects of substituting chemical fertilizers with manure on rice yield and soil labile nitrogen in paddy fields of China: A meta-analysis 被引量:2
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作者 Qiong HOU Yuemin NI +3 位作者 Shan HUANG Ting ZUO Jian WANG Wuzhong NI 《Pedosphere》 SCIE CAS CSCD 2023年第1期172-184,共13页
Substituting chemical fertilizers with manure is an important method for efficient nutrient management in rice cropping systems of China.Labile nitrogen(N)is the most active component of the soil N pool and plays an e... Substituting chemical fertilizers with manure is an important method for efficient nutrient management in rice cropping systems of China.Labile nitrogen(N)is the most active component of the soil N pool and plays an essential role in soil fertility.However,the effects of manure substitution on soil labile N in rice cropping systems and their relationships with soil properties,fertilization practices,and climatic conditions remain unclear and should be systematically quantified.Here,we investigated rice grain yield and four types of soil labile N that have been widely reported,including available nitrogen(AN),ammonium nitrogen(NH_(4)^(+)-N),nitrate nitrogen(NO_(3)^(−)-N),and microbial biomass nitrogen(MBN).We reviewed 187 published articles and performed a meta-analysis to quantify the effects of manure substitution on yield and soil labile N.The results showed that manure substitution increased AN,MBN,NH+4-N,and NO−3-N by 11.3%,38.5%,5.9%,and 8.1%,respectively.Partial substitution significantly increased the yield by 1.4%–5.9%,but full substitution significantly decreased the yield by 2.9%.The positive effects of manure substitution on yield and AN were stronger with long-term fertilization.The differences in responses varied across specific manure types,N application rates,soil properties,and climatic factors.In conclusion,manure substitution can increase soil labile N and is regarded as an efficient strategy for improving soil N fertility and a recommended measure for applying both chemical and organic fertilizers in rice systems.This study provides evidence of the effects of manure substitution on yield enhancement by increasing soil labile N. 展开更多
关键词 available nitrogen climatic factors fertilization practices manure substitution microbial biomass nitrogen soil properties
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Manure substitution improves maize yield by promoting soil fertility and mediating the microbial community in lime concretion black soil 被引量:1
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作者 Minghui Cao Yan Duan +6 位作者 Minghao Li Caiguo Tang Wenjie Kan Jiangye Li Huilan Zhang Wenling Zhong Lifang Wu 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2024年第2期698-710,共13页
Synthetic nitrogen(N)fertilizer has made a great contribution to the improvement of soil fertility and productivity,but excessive application of synthetic N fertilizer may cause agroecosystem risks,such as soil acidif... Synthetic nitrogen(N)fertilizer has made a great contribution to the improvement of soil fertility and productivity,but excessive application of synthetic N fertilizer may cause agroecosystem risks,such as soil acidification,groundwater contamination and biodiversity reduction.Meanwhile,organic substitution has received increasing attention for its ecologically and environmentally friendly and productivity benefits.However,the linkages between manure substitution,crop yield and the underlying microbial mechanisms remain uncertain.To bridge this gap,a three-year field experiment was conducted with five fertilization regimes:i)Control,non-fertilization;CF,conventional synthetic fertilizer application;CF_(1/2)M_(1/2),1/2 N input via synthetic fertilizer and 1/2 N input via manure;CF_(1/4)M_(3/4),1/4 N input synthetic fertilizer and 3/4 N input via manure;M,manure application.All fertilization treatments were designed to have equal N input.Our results showed that all manure substituted treatments achieved high soil fertility indexes(SFI)and productivities by increasing the soil organic carbon(SOC),total N(TN)and available phosphorus(AP)concentrations,and by altering the bacterial community diversity and composition compared with CF.SOC,AP,and the soil C:N ratio were mainly responsible for microbial community variations.The co-occurrence network revealed that SOC and AP had strong positive associations with Rhodospirillales and Burkholderiales,while TN and C:N ratio had positive and negative associations with Micromonosporaceae,respectively.These specific taxa are implicated in soil macroelement turnover.Random Forest analysis predicted that both biotic(bacterial composition and Micromonosporaceae)and abiotic(AP,SOC,SFI,and TN)factors had significant effects on crop yield.The present work strengthens our understanding of the effects of manure substitution on crop yield and provides theoretical support for optimizing fertilization strategies. 展开更多
关键词 FERTILIZATION manure substitution soil fertility maize yield bacterial community
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Off-farm employment,agriculture production activities,and household dietary diversity in environmentally and economically vulnerable areas of Asia 被引量:1
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作者 Yunli Bai Xuanye Zeng +1 位作者 Chao Fu Linxiu Zhang 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2024年第2期359-373,共15页
Access to off-farm employment has been expected to be a critical approach to ending hunger and all forms of malnutrition,two important targets of achieving Zero Hunger.This study aims to investigate the role of off-fa... Access to off-farm employment has been expected to be a critical approach to ending hunger and all forms of malnutrition,two important targets of achieving Zero Hunger.This study aims to investigate the role of off-farm employment in improving dietary diversity through substitution effect and complementary effect with agricultural production activities and income effect.This study adopts Poisson/Tobit/Probit/OLS regressions and the instrument variable method based on the primary survey data collected among 1,282 households at 12 sites in environmentally and economically vulnerable areas of China,Nepal,Cambodia,Thailand,and Myanmar in 2019.The results show that off-farm employment is positively associated with household dietary diversity and the consumption of flesh meat,fish and other aquatic animals,fruits,and milk and dairy products,which are rich in protein and micronutrients.The results of mechanism analysis show that off-farm employment contributes to household dietary diversity by improving crop diversity,especially for poor households,boosting the probability of livestock raising for households with the middle one-third disposal income,and increasing household income.The positive association between off-farm employment and household dietary diversity is much higher for households with the bottom one-third disposal income,low illiteracy,and from upper-middle income countries.These findings imply that off-farm employment does play a vital role in achieving multiple benefits of poverty alleviation,malnutrition reduction,and agrobiodiversity conservation in environmentally and economically vulnerable areas.However,it may enlarge the gaps in dietary diversity between households with low human capital and from low and lower-middle income countries and those with high human capital and from middle-high countries. 展开更多
关键词 off-farm employment dietary diversity income effect substitution effect complementary effect
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Train post‑derailment behaviours and containment methods:a review 被引量:1
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作者 Zhao Tang Yuwei Hu +3 位作者 Shuangbu Wang Liang Ling Jianjun Zhang Kaiyun Wang 《Railway Engineering Science》 EI 2024年第1期59-80,共22页
Railway accidents,particularly serious derailments,can lead to catastrophic consequences.Therefore,it is essential to prevent derailment escalation to reduce the likelihood of severe derailments.Train post-derailment ... Railway accidents,particularly serious derailments,can lead to catastrophic consequences.Therefore,it is essential to prevent derailment escalation to reduce the likelihood of severe derailments.Train post-derailment behaviours and containment methods play a critical role in preventing derailment escalation and providing passive safety protection and accident prevention in the event of a derailment.However,despite the increasing attention on this field from academia and industry in recent years,there is a lack of systematic exploration and summarization of emerging applications and containment methods in train post-derailment research.For this reason,this paper presents a comprehensive review of existing studies on train post-derailment behaviours,encompassing various topics such as post-derailment contact-impact models,dynamic modelling and simulation techniques,and the primary factors influencing post-derailment behaviours.Significantly,this review introduces and elucidates substitute guidance mechanisms(SGMs),which serve as railway-specific passive safety protection and accident prevention measures.The various types of SGMs are depicted,and their ongoing developments and applications are explored in depth.The review additionally points out several unresolved challenges including the adverse effects of SGMs,and proposes future research directions to advance the theoretical understanding and practical application of train post-derailment behaviours and containment methods.This review seeks to be a valuable reference for railway industry professionals in preventing catastrophic derailment consequences through post-derailment containment methods. 展开更多
关键词 Railway passive safety Railway accident prevention Post-derailment behaviours Substitute guidance mechanisms(SGMs) Contact-impact model
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Trace element compositions of pyrite and stibnite:implications for the genesis of antimony mineralization in the Yangla Cu skarn deposit,Northwestern Yunnan,China
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作者 Ping Pan Xinfu Wang +2 位作者 Bo Li Guo Tang Zuopeng Xiang 《Acta Geochimica》 EI CAS CSCD 2024年第3期535-554,共20页
The Yangla Cu skarn deposit is located in the central part of the Jinshajiang Suture Zone,southwest China,with a total reserve of 150 Mt Cu@1.03%.The newly discovered antimony orebodies at the depth of Yangla are stri... The Yangla Cu skarn deposit is located in the central part of the Jinshajiang Suture Zone,southwest China,with a total reserve of 150 Mt Cu@1.03%.The newly discovered antimony orebodies at the depth of Yangla are strictly controlled by the stratum,structure,and lithology,which are lenticular and vein-like within the marble fracture zone,which can provide a window into multistage miner-alization and ore genesis at Yangla.Mineralization can be divided into three types,Cu–Pb–Zn(skarn)pyrite,galena,and sphalerite,Cu(porphyry)chalcopyrite and pyrite,and Sb(hydrothermal)stibnite and pyrite.The mineral assem-blages were stibnite+pyrite+calcite+quartz±minor scheelite in antimony ores.This study presents quantitative measurements of the trace element compositions of pyrite and stibnite from the Yangla antimony ores.Analysis of pyrite with electron probe microanalysis(EPMA)showed enrichment in Co,Ni,Sb,As,and Mo,and deficit in its S and Fe contents when compared to the stoichiometric con-centrations of S and Fe in pyrite.The Sb-related pyrite may belong to sedimentary-reworked genesis and may be modi-fied by hydrothermalfluids,thereby presenting a certain dif-ference(i.e.,crystal morphology,texture,and chemical com-position)compared to the skarn and porphyry Cu-related pyrite in the Yangla Cu skarn deposit.Analysis of stibnite with EPMA and inductively coupled plasma-mass spectrom-etry showed enrichment in As,Pb,Sn,Pb,Cu,and Zn,and presented much higher Sb contents and slightly lower S con-tents when compared to the stoichiometric concentrations of Sb and S in stibnite.Statistical analysis of the stibnite trace elements showed correlations for the elemental pairs Cu–Pb,As–Sb,and Sn–Pb,and the coupled substitution equations Sb^(3+)↔Cu^(+)+Pb^(2+),Sb^(3+)↔As^(3+),and Sn^(2+)↔Pb^(2+)may be the major factors governed the incorporating Cu,Pb,As and Sn within the stibnite.Moreover,this study preliminary shows that the antimony mineralization may belong to a car-bonate replacement hydrothermal genesis at Yangla. 展开更多
关键词 Trace elements PYRITE STIBNITE Substitution mechanisms Antimony mineralization Yangla Cu skarn deposit
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Enhancing wood efficiency through comprehensive wood flow analysis:Methodology and strategic insights
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作者 Ruisheng Wang Peer Haller 《Forest Ecosystems》 SCIE CSCD 2024年第2期172-183,共12页
Wood,an essential natural resource in human civilization,remains widely used despite advances in technology and material substitution.The surge in greenhouse gas emissions and environmental concerns accentuates the ne... Wood,an essential natural resource in human civilization,remains widely used despite advances in technology and material substitution.The surge in greenhouse gas emissions and environmental concerns accentuates the need for optimizing wood utilization.Material flow analysis is a powerful tool for tracking material flows and stocks,aiding resource management and environmental decision-making.However,the full extent of its methodological dimensions,particularly within the context of the wood supply chain,remains relatively unexplored.In this study,we delve into the existing literature on wood flow analysis,discussing its primary objectives,materials involved,temporal and spatial scales,data sources,units,and conversion factors.Additionally,data uncertainty,data reconciliation and crucial assumptions in material flow analysis are highlighted in this paper.Key findings reveal the significance of wood cascading and substitution effects by replacing non-wood materials,where they can reduce greenhouse gas emissions more than the natural carbon sink of forests and wood products.The immediate impact of short-term wood cascading might not be as robust as the substitution effect,with energy substitution showcasing better results than material substitution.However,it's crucial to note that these conclusions could experience significant reversal from a long-term and global perspective.Strategies for improving wood efficiency involve maximizing material use,advancing construction technologies,extending product lifespans,promoting cascade use,and optimizing energy recovery processes.The study underscores the need for standardized approaches in wood flow analysis and emphasizes the potential of wood efficiency strategies in addressing environmental challenges. 展开更多
关键词 Material flow analysis WOOD METHODOLOGY Cascade use Substitution effects
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Optimizing the sulfur-resistance and activity of perovskite oxygen carrier for chemical looping dry reforming of methane
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作者 Yuelun Li Dong Tian +6 位作者 Lei jiang Huicong Zuo LiNan Huang Mingyi Chen Jianchun Zuo Hua Wang Kongzhai Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第9期259-271,共13页
Perovskite oxides has been attracted much attention as high-performance oxygen carriers for chemical looping reforming of methane,but they are easily inactivated by the presence of trace H_(2)S.Here,we propose to modu... Perovskite oxides has been attracted much attention as high-performance oxygen carriers for chemical looping reforming of methane,but they are easily inactivated by the presence of trace H_(2)S.Here,we propose to modulate both the activity and resistance to sulfur poisoning by dual substitution of Mo and Ni ions with the Fe-sites of LaFeO_(3)perovskite.It is found that partial substitution of Ni for Fe substantially improves the activity of LaFeO_(3)perovskite,while Ni particles prefer to grow and react with H_(2)S during the long-term successive redox process,resulting in the deactivation of oxygen carriers.With the presence of Mo in LaNi_(0.05)Fe_(0.95)O_(3−σ)perovskite,H_(2)S preferentially reacts with Mo to generate MoS_(2),and then the CO_(2)oxidation can regenerate Mo via removing sulfur.In addition,Mo can inhibit the accumulation and growth of Ni,which helps to improve the redox stability of oxygen carriers.The LaNi_(0.05)Mo_(0.07)Fe_(0.88)O_(3−σ)oxygen carrier exhibits stable and excellent performance,with the CH_(4)conversion higher than 90%during the 50 redox cycles in the presence of 50 ppm H_(2)S at 800℃.This work highlights a synergistic effect in the perovskite oxides induced by dual substitution of different cations for the development of high-performance oxygen carriers with excellent sulfur tolerance. 展开更多
关键词 Perovskite oxygen carriers Chemical looping reforming Sulfur-resistance Dual substitution SYNGAS
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Synthesis and Modulation of Low-Dimensional Transition Metal Chalcogenide Materials via Atomic Substitution
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作者 Xuan Wang Akang Chen +3 位作者 XinLei Wu Jiatao Zhang Jichen Dong Leining Zhang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第9期49-94,共46页
In recent years,low-dimensional transition metal chalcogenide(TMC)materials have garnered growing research attention due to their superior electronic,optical,and catalytic properties compared to their bulk counterpart... In recent years,low-dimensional transition metal chalcogenide(TMC)materials have garnered growing research attention due to their superior electronic,optical,and catalytic properties compared to their bulk counterparts.The controllable synthesis and manipulation of these materials are crucial for tailoring their properties and unlocking their full potential in various applications.In this context,the atomic substitution method has emerged as a favorable approach.It involves the replacement of specific atoms within TMC structures with other elements and possesses the capability to regulate the compositions finely,crystal structures,and inherent properties of the resulting materials.In this review,we present a comprehensive overview on various strategies of atomic substitution employed in the synthesis of zero-dimensional,one-dimensional and two-dimensional TMC materials.The effects of substituting elements,substitution ratios,and substitution positions on the structures and morphologies of resulting material are discussed.The enhanced electrocatalytic performance and photovoltaic properties of the obtained materials are also provided,emphasizing the role of atomic substitution in achieving these advancements.Finally,challenges and future prospects in the field of atomic substitution for fabricating low-dimensional TMC materials are summarized. 展开更多
关键词 Transition metal chalcogenides Atomic substitution Ion exchange Low-dimensional materials Controllable synthesis
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Atom substitution of the solid-state electrolyte Li_(10)GeP_(2)S_(12)for stabilized all-solid-state lithium metal batteries
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作者 Zijing Wan Xiaozhen Chen +3 位作者 Ziqi Zhou Xiaoliang Zhong Xiaobing Luo Dongwei Xu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期28-38,I0002,共12页
Solid-state electrolyte Li_(10)GeP_(2)S_(12)(LGPS)has a high lithium ion conductivity of 12 mS cm^(-1)at room temperature,but its inferior chemical stability against lithium metal anode impedes its practical applicati... Solid-state electrolyte Li_(10)GeP_(2)S_(12)(LGPS)has a high lithium ion conductivity of 12 mS cm^(-1)at room temperature,but its inferior chemical stability against lithium metal anode impedes its practical application.Among all solutions,Ge atom substitution of the solid-state electrolyte LGPS stands out as the most promising solution to this interface problem.A systematic screening framework for Ge atom substitution including ionic conductivity,thermodynamic stability,electronic and mechanical properties is utilized to solve it.For fast screening,an enhanced model Dop Net FC using chemical formulas for the dataset is adopted to predict ionic conductivity.Finally,Li_(10)SrP_(2)S_(12)(LSrPS)is screened out,which has high lithium ion conductivity(12.58 mS cm^(-1)).In addition,an enhanced migration of lithium ion across the LSr PS/Li interface is found.Meanwhile,compared to the LGPS/Li interface,LSrPS/Li interface exhibits a larger Schottky barrier(0.134 eV),smaller electron transfer region(3.103?),and enhanced ability to block additional electrons,all of which contribute to the stabilized interface.The applied theoretical atom substitution screening framework with the aid of machine learning can be extended to rapid determination of modified specific material schemes. 展开更多
关键词 Atom substitution Solid-state electrolyte Machine learning Stabilized interface
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Interstitial Doping of SnO_(2) Film with Li for Indium-Free Transparent Conductor
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作者 陈兴谦 李昊臻 +4 位作者 陈伟 梅增霞 Alexander Azarov Andrej Kuznetsov 杜小龙 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第3期140-145,共6页
SnO_(2)films exhibit significant potential as cost-effective and high electron mobility substitutes for In_(2)O_(3)films.In this study,Li is incorporated into the interstitial site of the SnO_(2)lattice resulting in a... SnO_(2)films exhibit significant potential as cost-effective and high electron mobility substitutes for In_(2)O_(3)films.In this study,Li is incorporated into the interstitial site of the SnO_(2)lattice resulting in an exceptionally low resistivity of 2.028×10^(-3)Ω·cm along with a high carrier concentration of 1.398×10^(20)cm^(-3)and carrier mobility of 22.02 cm^(2)/V·s. 展开更多
关键词 exceptional RESISTIVITY SUBSTITUTE
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Effect of Rare-Earth Element Substitution in Superconducting R_(3)Ni_(2)O_(7) under Pressure
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作者 Zhiming Pan Chen Lu +1 位作者 Fan Yang Congjun Wu 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第8期77-81,共5页
Recently,high temperature(T_(c)≈80 K)superconductivity(SC)has been discovered in La_(3)Ni_(2)O_(7)(LNO)under pressure.This raises the question of whether the superconducting transition temperature T_(c) could be furt... Recently,high temperature(T_(c)≈80 K)superconductivity(SC)has been discovered in La_(3)Ni_(2)O_(7)(LNO)under pressure.This raises the question of whether the superconducting transition temperature T_(c) could be further enhanced under suitable conditions.One possible route for achieving higher T_(c) is element substitution.Similar SC could appear in the Fmmm phase of rare-earth(RE)R_(3)Ni_(2)O_(7)(RNO,R=RE element)material series under suitable pressure.The electronic properties in the RNO materials are dominated by the Ni 3d orbitals in the bilayer NiO_(2) plane.In the strong coupling limit,the SC could be fully characterized by a bilayer single 3d_(x^(2)−y^(2))-orbital t–J‖–J⊥ model.With RE element substitution from La to other RE element,the lattice constant of the Fmmm RNO material decreases,and the resultant electronic hopping integral increases,leading to stronger superexchanges between the 3d_(x^(2)−y^(2)) orbitals.Based on the slave-boson mean-field theory,we explore the pairing nature and the evolution of T_(c) in RNO materials under pressure.Consequently,it is found that the element substitution does not alter the pairing nature,i.e.,the inter-layer s-wave pairing is always favored in the superconducting RNO under pressure.However,the T_(c) increases from La to Sm,and a nearly doubled T_(c) could be realized in SmNO under pressure.This work provides evidence for possible higher T_(c) R_(3)Ni_(2)O_(7) materials,which may be realized in further experiments. 展开更多
关键词 ELEMENT SUBSTITUTION RARE
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Atomically Substitutional Engineering of Transition Metal Dichalcogenide Layers for Enhancing Tailored Properties and Superior Applications
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作者 Zhaosu Liu Si Yin Tee +1 位作者 Guijian Guan Ming‑Yong Han 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第5期248-284,共37页
Transition metal dichalcogenides(TMDs)are a promising class of layered materials in the post-graphene era,with extensive research attention due to their diverse alternative elements and fascinating semiconductor behav... Transition metal dichalcogenides(TMDs)are a promising class of layered materials in the post-graphene era,with extensive research attention due to their diverse alternative elements and fascinating semiconductor behavior.Binary MX2 layers with different metal and/or chalcogen elements have similar structural parameters but varied optoelectronic properties,providing opportunities for atomically substitutional engineering via partial alteration of metal or/and chalcogenide atoms to produce ternary or quaternary TMDs.The resulting multinary TMD layers still maintain structural integrity and homogeneity while achieving tunable(opto)electronic properties across a full range of composition with arbitrary ratios of introduced metal or chalcogen to original counterparts(0–100%).Atomic substitution in TMD layers offers new adjustable degrees of freedom for tailoring crystal phase,band alignment/structure,carrier density,and surface reactive activity,enabling novel and promising applications.This review comprehensively elaborates on atomically substitutional engineering in TMD layers,including theoretical foundations,synthetic strategies,tailored properties,and superior applications.The emerging type of ternary TMDs,Janus TMDs,is presented specifically to highlight their typical compounds,fabrication methods,and potential applications.Finally,opportunities and challenges for further development of multinary TMDs are envisioned to expedite the evolution of this pivotal field. 展开更多
关键词 Transition metal dichalcogenides Atomic substitution Tailored structure Tunable bandgap Enhanced applications
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Bio-Based Waterborne Poly(Vanillin-Butyl Acrylate)/MXene Coatings for Leather with Desired Warmth Retention and Antibacterial Properties
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作者 Jianzhong Ma Li Ma +3 位作者 Lei Zhang Wenbo Zhang Qianqian Fan Buxing Han 《Engineering》 SCIE EI CAS CSCD 2024年第5期250-263,共14页
This study presents a solvent-free,facile synthesis of a bio-based green antibacterial agent and aromatic monomer methacrylated vanillin(MV)using vanillin.The resulting MV not only imparted antibacterial properties to... This study presents a solvent-free,facile synthesis of a bio-based green antibacterial agent and aromatic monomer methacrylated vanillin(MV)using vanillin.The resulting MV not only imparted antibacterial properties to coatings layered on leather,but could also be employed as a green alternative to petroleum-based carcinogen styrene(St).Herein,MV was copolymerized with butyl acrylate(BA)to obtain waterborne bio-based P(MV-BA)miniemulsion via miniemulsion polymerization.Subsequently,MXene nanosheets with excellent photothermal conversion performance and antibacterial properties,were introduced into the P(MV-BA)miniemulsion by ultrasonic dispersion.During the gradual solidification of P(MV-BA)/MXene nanocomposite miniemulsion on the leather surface,MXene gradually migrated to the surface of leather coatings due to the cavitation effect of ultrasonication and amphiphilicity of MXene,which prompted its full exposure to light and bacteria,exerting the maximum photothermal conversion efficiency and significant antibacterial efficacy.In particular,when the dosage of MXene nanosheets was 1.4 wt%,the surface temperature of P(MV-BA)/MXene nanocomposite miniemulsioncoated leather(PML)increased by about 15℃ in an outdoor environment during winter,and the antibacterial rate against Escherichia coli and Staphylococcus aureus was nearly 100%under the simulated sunlight treatment for 30 min.Moreover,the introduction of MXene nanosheets increased the air permeability,water vapor permeability,and thermal stability of these coatings.This study provides a new insight into the preparation of novel,green,and waterborne bio-based nanocomposite coatings for leather,with desired warmth retention and antibacterial properties.It can not only realize zerocarbon heating based on sunlight in winter,reducing the use of fossil fuels and greenhouse gas emissions,but also improve ability to fight off invasion by harmful bacteria,viruses,and other microorganisms. 展开更多
关键词 MXene nanosheets VANILLIN Styrene substitute Leather coating Photothermal conversion Warmth retention Antibacterial properties
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Reversible Mn^(2+)/Mn^(4+)double-electron redox in P3-type layer-structured sodium-ion cathode
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作者 Jie Zeng Jian Bao +8 位作者 Ya Zhang Xun-Lu Li Cui Ma Rui-Jie Luo Chong-Yu Du Xuan Xu Zhe Mei Zhe Qian Yong-Ning Zhou 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期79-88,I0004,共11页
The balance between cationic redox and oxygen redox in layer-structured cathode materials is an important issue for sodium batteries to obtain high energy density and considerable cycle stability.Oxygen redox can cont... The balance between cationic redox and oxygen redox in layer-structured cathode materials is an important issue for sodium batteries to obtain high energy density and considerable cycle stability.Oxygen redox can contribute extra capacity to increase energy density,but results in lattice instability and capacity fading caused by lattice oxygen gliding and oxygen release.In this work,reversible Mn^(2+)/Mn^(4+)redox is realized in a P3-Na_(0.65)Li_(0.2)Co_(0.05)Mn_(0.75)O_(2)cathode material with high specific capacity and structure stability via Co substitution.The contribution of oxygen redox is suppressed significantly by reversible Mn^(2+)/Mn^(4+)redox without sacrificing capacity,thus reducing lattice oxygen release and improving the structure stability.Synchrotron X-ray techniques reveal that P3 phase is well maintained in a wide voltage window of 1.5-4.5 V vs.Na^(+)/Na even at 10 C and after long-term cycling.It is disclosed that charge compensation from Co/Mn-ions contributes to the voltage region below 4.2 V and O-ions contribute to the whole voltage range.The synergistic contributions of Mn^(2+)/Mn^(4+),Co^(2+)/Co^(3+),and O^(2-)/(O_n)^(2-)redox in P3-Na_(0.65)Li_(0.2)Co_(0.05)Mn_(0.75)O_(2)lead to a high reversible capacity of 215.0 m A h g^(-1)at 0.1 C with considerable cycle stability.The strategy opens up new opportunities for the design of high capacity cathode materials for rechargeable batteries. 展开更多
关键词 Sodium batteries Cathode materials Layered structure Co substitution
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Associations of daily sedentary behavior,physical activity,and sleep with irritable bowel syndrome:A prospective analysis of 362,193 participants
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作者 Xu Gao Sifan Tian +2 位作者 Ninghao Huang Gang Sun Tao Huang 《Journal of Sport and Health Science》 SCIE CSCD 2024年第1期72-80,共9页
Background:Irritable bowel syndrome(IBS)substantially affects quality of life and requires early prevention.This study aimed to elucidate the relationships between IBS and daily behaviors,including sedentary behavior(... Background:Irritable bowel syndrome(IBS)substantially affects quality of life and requires early prevention.This study aimed to elucidate the relationships between IBS and daily behaviors,including sedentary behavior(SB),physical activity(PA),and sleep.In particular,it seeks to identify healthy behaviors to reduce IBS risk,which previous studies have rarely addressed.Methods:Daily behaviors were retrieved from self-reported data of 362,193 eligible UK Biobank participants.Incident cases were determined by self-report or health care data according to RomeⅣcriteria.Results:A total of 345,388 participants were IBS-free at baseline,during a median follow-up of 8.45 years,19,885 incident IBS cases were recorded.When examined individually,SB and shorter(≤7 h/day)or longer(>7 h/day)sleep duration were each positively associated with increased IBS risk,and PA was associated with lower IBS risk.The isotemporal substitution model suggested that replacing SB with other activities could provide further protective effects against IBS risk.Among people sleeping≤7 h/day,replacing 1 h of SB with equivalent light PA,vigorous PA,or sleep was associated with 8.1%(95%confidence interval(95%CI):0.901-0.937),5.8%(95%CI:0.896-0.991),and 9.2%(95%CI:0.885-0.932)reduced IBS risk,respectively.For people sleeping>7 h/day,light and vigorous PA were associated with a 4.8%(95%CI:0.926-0.978)and a 12.0%(95%CI:0.815-0.949)lower IBS risk,respectively.These benefits were mostly independent of genetic risk for IBS.Conclusion:SB and unhealthy sleep duration are risk factors for IBS.A promising way to mitigate IBS risk for individuals sleeping≤7 h/day and for those sleeping>7 h/day appears to be by replacing SB with adequate sleep or vigorous PA,respectively,regardless of the genetic predisposition of IBS. 展开更多
关键词 Irritable bowel syndrome Isotemporal substitution model Physical activity Sedentary behavior SLEEP
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Boron-doped high-entropy oxide toward high-rate and long-cycle layered cathodes for wide-temperature sodium-ion batteries
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作者 Yuzhen Dang Zhe Xu +8 位作者 Yurong Wu Runguo Zheng Zhiyuan Wang Xiaopin Lin Yanguo Liu Zheng-Yao Li Kai Sun Dongfeng Chen Dan Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第8期577-587,I0012,共12页
03-type layered metal oxides hold great promise for sodium-ion batteries cathodes owing to their energy density advantage.However,the severe irreversible phase transition and sluggish Na^(+)diffusion kinetics pose sig... 03-type layered metal oxides hold great promise for sodium-ion batteries cathodes owing to their energy density advantage.However,the severe irreversible phase transition and sluggish Na^(+)diffusion kinetics pose significant challenges to achieve high-performance layered cathodes.Herein,a boron-doped03-type high entropy oxide Na(Fe_(0.2)Co_(0.15)Cu_(0.05)Ni_(0.2)Mn_(0.2)Ti_(0.2))B_(0.02)O_(2)(NFCCNMT-B_(0.02))is designed and the covalent B-O bonds with high entropy configuration ensure a robust layered structure.The obtained cathode NFCCNMT-B_(0.02)exhibits impressive cycling performance(capacity retention of 95%and 82%after100 cycles and 300 cycles at 1 and 10 C,respectively)and outstanding rate capability(capacity of 83 mAh g^(-1)at 10 C).Furthermore,the NFCCNMT-B_(0.02)demonstrates a superior wide-temperature performance,maintaining the same capacity level(113,4 mAh g^(-1)@-20℃,121 mAh g^(-1)@25℃,and 119 mAh g^(-1)@60℃)and superior cycle stability(90%capacity retention after 100 cycles at 1 C at-20℃).The high-entropy configuration design with boron doping strategy contributes to the excellent sodium-ion storage performance.The high-entropy configuration design effectively suppresses irreversible phase transitions accompanied by small volume changes(ΔV=0.65 A3).B ions doping expands the Na layer distance and enlarges the P3 phase region,thereby enhancing Na^(+)diffusion kinetics.This work offers valuable insights into design of high-performance layered cathodes for sodium-ion batteries operating across a wide temperature. 展开更多
关键词 High entropy oxide Born substitution Phase transition Na~+diffusion kinetics Sodium-ion batteries
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