期刊文献+
任意字段
题名或关键词
题名
关键词
摘要
作者
第一作者
机构
刊名
分类号
参考文献
作者简介
基金资助
栏目信息
共找到2,344篇文章
< 1 2 … 118 >
每页显示 20 50 100
已选0条
引用分析
参考文献
引证文献
 统计分析
检索结果
已选文献
显示方式：
A Synchronous Strategy to Zn-Iodine Battery by Polycationic Long-Chain Molecules 认领 引用 被引量：6
1
作者 Da-Qian Cai Hengyue Xu +2 位作者 Tong Xue Jin-Lin Yang Hong Jin Fan 《Nano-Micro Letters》 SCIE EI CAS CSCD 2026年第1期80-94,共15页
Aqueous Zn-iodine batteries(ZIBs)face the formidable challenges towards practical implementation,including metal corrosion and rampant dendrite growth on the Zn anode side,and shuttle effect of polyiodide species from... Aqueous Zn-iodine batteries(ZIBs)face the formidable challenges towards practical implementation,including metal corrosion and rampant dendrite growth on the Zn anode side,and shuttle effect of polyiodide species from the cathode side.These challenges lead to poor cycle stability and severe self-discharge.From the fabrication and cost point of view,it is technologically more viable to deploy electrolyte engineering than electrode protection strategies.More importantly,a synchronous method for modulation of both cathode and anode is pivotal,which has been often neglected in prior studies.In this work,cationic poly(allylamine hydrochloride)(Pah+)is adopted as a low-cost dual-function electrolyte additive for ZIBs.We elaborate the synchronous effect by Pah+in stabilizing Zn anode and immobilizing polyiodide anions.The fabricated Zn-iodine coin cell with Pah+(ZnI2 loading:25 mg cm−2)stably cycles 1000 times at 1 C,and a single-layered 3.4 cm2 pouch cell(N/P ratio~1.5)with the same mass loading cycles over 300 times with insignificant capacity decay. 展开更多
关键词 Polyiodide shuttle effect Halogen battery Conversion cathode Dendrites Polycation molecule
暂未订购 下载PDF
Photocatalyzed C-N coupling reactions of small molecules 认领 引用
2
作者 Lin-Xing Zhang Chang-Long Tan +2 位作者 Ming-Yu Qi Zi-Rong Tang Yi-Jun Xu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第1期7-19,共13页
Catalytic coupling of abundant CO2 or renewable CH3OH with nitrogenous small molecules,such as N2,H3,and NO3-,has emerged as a promising strategy for synthesizing high-value organonitrogen compounds.... Catalytic coupling of abundant CO2 or renewable CH3OH with nitrogenous small molecules,such as N2,H3,and NO3-,has emerged as a promising strategy for synthesizing high-value organonitrogen compounds.However,conventional thermal catalysis for C-N bond formation often relies on external chemical reagents and energy-intensive conditions,raising concerns about process sustainability.Photocatalysis offers a sustainable alternative by utilizing sunlight to generate high-energy electron-hole pairs in semiconductors,which can activate inert chemical bonds(e.g.,C=O and N≡N)for programmed coupling under ambient conditions.In this review,we dissect the fundamental activation mechanisms underlying photon-mediated C-N coupling reactions,highlight key recent breakthroughs in the synthesis of urea,formamide,and amino acids,and analyze persistent challenges alongside emerging opportunities.This work aims to deepen the understanding of photocatalytic C-N coupling reactions and inspire research interest in sustainable nitrogen fixation and carbon utilization. 展开更多
关键词 Photocatalytic C-N coupling reactions Small molecules Urea Formamide Amino acids
暂未订购 下载PDF
Electrocatalytic C–N coupling of carbon dioxide and nitrogen-containing small molecules for synthesizing organic nitrogenous compounds 认领 引用
3
作者 Youyu Long Yingchun He +2 位作者 Wenbo Wei Hua Lin Qi-Long Zhu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2026年第6期601-621,I0015,共21页
The electrocatalytic conversion of carbon dioxide(CO2)and nitrogen-containing pollutants(such as nitrate and ammonia)into high-value carbon–nitrogen(C–N)coupled compounds(such as urea,amines,amides,and amino acid... The electrocatalytic conversion of carbon dioxide(CO2)and nitrogen-containing pollutants(such as nitrate and ammonia)into high-value carbon–nitrogen(C–N)coupled compounds(such as urea,amines,amides,and amino acids)offers an innovative pathway that combines environmental and economic benefits to achieve a closed carbon-nitrogen cycle and green synthesis.Although the field holds great potential,it is still in its early stages and faces challenges such as complex reaction pathways,poor product selectivity,and unclear catalytic mechanisms.To systematically understand this complex chemical system and promote its further development,this review provides a comprehensive summary and critical evaluation of relevant research progress.Firstly,this study summarizes the key C–N coupling mechanisms involved in the electrocatalytic synthesis of urea,amines,amides,and amino acids,along with methods for detecting products and intermediates,as well as catalyst design strategies.Subsequently,based on the types of products,it delves into the reaction mechanisms,elucidating the critical steps and current research status of C–N bond formation across various systems.The significance of technoeconomic analysis(TEA)in the industrialization of electrocatalytic C–N coupling is also emphasized.Finally,drawing on an analysis of current challenges,it proposes future research directions,including leveraging machine learning to guide catalyst development,employing in-situ characterization to clarify the electrocatalytic C–N coupling mechanism,and promoting process integration to narrow the gap between laboratory and industrial-scale applications.This work aims to furnish a theoretical basis and technical guidance for further in-depth research and systematic optimization in this field. 展开更多
关键词 Electrocatalytic C–N coupling Carbon dioxide Catalyst design Nitrogen-containing small molecules Reaction pathway
暂未订购 下载PDF
Interactions between small molecules and carbon-engine microbes:Key mechanisms driving soil carbon accumulation 认领 引用
4
作者 Lin CHEN Jingwang LI Jiabao ZHANG 《Pedosphere》 SCIE CAS CSCD 2026年第2期377-380,共4页
Synergistic interactions between small molecules(SMs)and carbon-engine microbes(CEMs)play key roles in soil organic carbon(SOC)accumulation.The SMs(typically<1000 Da),primarily derived from root exudates and polyme... Synergistic interactions between small molecules(SMs)and carbon-engine microbes(CEMs)play key roles in soil organic carbon(SOC)accumulation.The SMs(typically<1000 Da),primarily derived from root exudates and polymer degradation,enhance CEM functions by fueling microbial metabolism via rapid uptake,elevating carbon use efficiency for persistent necromass formation,and enriching mineral-binding and aggregate-forming taxa. 展开更多
关键词 persistent necromass fueling microbial metabolism soil organic carbon root exudates carbon engine microbes small molecules sms synergistic interactions polymer degradationenhance
暂未订购 下载PDF
Mechanisms of anticancer active molecules from traditional Chinese medicine and strategies for clinical application 认领 引用
5
作者 Xiang-Zan Wei Jing-Mei Yao +5 位作者 Shu-Xin Liang Yu-Yan Wang Jia-Yi Wang Piao-Liu Yuan Xian Zhou Wei-Rong Qin 《Traditional Medicine Research》 2026年第10期59-73,共15页
Traditional Chinese medicine(TCM)is a valuable source of bioactive molecules,whose potential to alter oncogenic processes associated with cancer includes aberrant proliferation,apoptotic resistance,and metastatic repr... Traditional Chinese medicine(TCM)is a valuable source of bioactive molecules,whose potential to alter oncogenic processes associated with cancer includes aberrant proliferation,apoptotic resistance,and metastatic reprogramming.This article is a systematic review on the mechanistic basis of anticancer TCM-derived compounds,mainly flavonoids,terpenoids,and polysaccharides.We focus on literature from 2005 till now.The TCM compounds described here are capable of inducing caspase-mediated apoptosis,inhibiting the PI3K/Akt/mTOR and Wnt/β-catenin signalling pathways,inhibiting epithelial-mesenchymal transition(EMT),enhancing NK cell cytotoxicity,and repolarizing tumor-associated macrophages(TAMs)in the tumor microenvironment(TME).The compounds,however,show promise in the preclinical and early clinical settings.The integration of TCM with western medicines raises challenges that require attention.These are poor bioavailability,incomplete mechanism understanding,and a lack of standardization.Our analysis indicates that TCM bioactives could potentially be used as new agents in precision oncology for resistant cancers.We additionally propose that the marriage of systems biology with adaptive clinical trial designs may accelerate their translation into next-generation anticancer regimens,with TCM poised to play a complementary cornerstone in modern oncology. 展开更多
关键词 traditional Chinese medicine anticancer active molecules mechanisms of action clinical application research strategies
暂未订购 下载PDF
A computational dataset for C1 molecules catalytic conversion over iron-based catalysts 认领 引用
6
作者 ZHANG Jian LI Chaochao LU Kuan 《燃料化学学报（中英文）》 EI CAS CSCD 北大核心 2026年第6期226-232,共7页
The catalytic conversion of C1 molecules(e.g.,CO,CO2)represents a pivotal technology in the energy and chemical sectors,essential for achieving sustainable C1 chemistry and low-carbon transformation.A profound unde... The catalytic conversion of C1 molecules(e.g.,CO,CO2)represents a pivotal technology in the energy and chemical sectors,essential for achieving sustainable C1 chemistry and low-carbon transformation.A profound understanding of the underlying microscopic reaction mechanisms necessitates systematic support from both theoretical and experimental data support.This study constructs a“Computational Dataset for C1 Molecular Catalytic Conversion Based on Iron-Based Catalysts,”focusing on Fe5C2-based catalysts and systematically integrating multidimensional information on C1 molecular adsorption,dissociation,and formation reactions across different crystal surfaces(001,111,510).The dataset includes:the number of polycrystalline surface structures(Fe5C2(001)with 96 configurations,Fe5C2(111)with 93,and Fe5C2(510)with 472);species involved in the full reaction pathways under complex co-adsorption environments(adsorbed states such as COH and H2,dissociated states like CO under 2H conditions,and formation states such as CH/CH3 under 2H and H2O conditions);and a standardized hierarchical storage system categorizing reaction types,crystal surfaces,and structural parameters.This dataset not only serves as a benchmark for validating quantum chemical calculation methods but also provides critical data support for catalyst design and reaction pathway optimization in C1 molecular catalytic conversion by uncovering the coupling effects of crystal surfaces and reaction mechanisms. 展开更多
关键词 Fe5C2 C1 molecules density functional theory reaction mechanism dataset
暂未订购 下载PDF
Organometallic mechanically interlocked molecules featuring N-heterocyclic carbene ligands:Recent advances in synthesis and applications 认领 引用
7
作者 Yi Li Ye Lu Shi-Ping Yang 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2026年第1期105-113,共9页
Coordination-directed synthesis has emerged as an effective and versatile approach for constructing mechanically interlocked molecules(MIMs).This field has long been dominated by Werner-type complexes featuring oxygen... Coordination-directed synthesis has emerged as an effective and versatile approach for constructing mechanically interlocked molecules(MIMs).This field has long been dominated by Werner-type complexes featuring oxygen and/or nitrogen donors,whereas assemblies incorporating N-heterocyclic carbene(NHC)donors remain underexplored.This review provides a comprehensive overview of the rapidly developing field of MIMs constructed from poly-NHC-based building blocks.By highlighting representative recent examples,this review focuses on the pivotal role of NHC ligands and the robustness of metal-CNHC bond in the construction of metallosupramolecular interlocked structures.In addition,it summarizes contemporary strategies for achieving efficient assembly,analyzes defining structural attributes of the resulting architectures,and outlines current challenges and emerging opportunities for future developments in NHC-based MIMs. 展开更多
关键词 N-heterocyclic carbene Mechanically interlocked molecules Supramolecular chemistry Synthetic strategies
Breathing dynamics of dissipative pure quartic soliton molecules via spectral filtering effects 认领 引用
8
作者 Chun-Ting Liu Jun-You Lu +1 位作者 Han-Yang Shen Zu-Xing Zhang 《Chinese Physics B》 SCIE EI CAS CSCD 2026年第3期320-327,共8页
Although dissipative pure quartic solitons(DPQSs)stabilized by fourth-order dispersion(FOD)and nonlinearity are widely studied,their multi-soliton dynamics in positive FOD remain underexplored.Here,we study the impact... Although dissipative pure quartic solitons(DPQSs)stabilized by fourth-order dispersion(FOD)and nonlinearity are widely studied,their multi-soliton dynamics in positive FOD remain underexplored.Here,we study the impact of saturation energy and filter bandwidth on breathing DPQS molecules numerically.Our findings indicate that complementary breathing DPQS molecules exchange energy through oscillating tails,exhibiting simultaneously temporal oscillations and spectral shifting.By adjusting cavity parameters,we demonstrate that the state of breathing soliton molecules is inherently governed by time separation.These findings deepen the comprehension of multi-soliton interactions and nonlinear phenomena. 展开更多
关键词 dissipative pure-quartic soliton soliton molecule breathing soliton oscillating tails
暂未订购 下载PDF
Double ionization of oxygen molecules in counter-rotating two-color elliptical polarization fields 认领 引用
9
作者 Feng Gao Xiaolong Lu +3 位作者 Jun Liu Zifeng Wang Jiacheng Mao Peipei Xin 《Communications in Theoretical Physics》 SCIE CAS CSCD 2026年第4期108-116,共9页
The classical ensemble model(CEM)was applied to study the double ionization(DI)yield and correlated dynamics of electron pairs during non-sequential double ionization(NSDI)of oxygen molecules exposed to a counter-rota... The classical ensemble model(CEM)was applied to study the double ionization(DI)yield and correlated dynamics of electron pairs during non-sequential double ionization(NSDI)of oxygen molecules exposed to a counter-rotating two-color elliptically polarized(TCEP)laser field.Numerical simulations revealed a gradual reduction in the DI yield with increasing angle between the major axes of the two elliptically polarized laser components.This angular dependence arises from asymmetric suppression effects that the laser field exerts on the potential barrier of the diatomic molecule,with larger angles decreasing the efficiency of the barrier suppression.Concurrently,as molecular orientation angles increase,the increased travel time of the rescattering electron enhances recollision energies,thereby shifting the joint temporal distribution of ionization and recollision events toward diagonal alignment and altering the dominant NSDI pathways in oxygen molecules. 展开更多
关键词 non-sequential double ionization counter-rotating TCEP laser fields diatomic molecule
暂未订购 下载PDF
Trace filling strategy of amphoteric molecules for large-capacity and long-lasting Li-Fe-F conversion all-solid-state batteries 认领 引用 被引量：1
10
作者 Yuan Meng Jiulin Hu +5 位作者 Qijie Yu Meng Lei Hailong Wu Yi Xu Rong Qian Chilin Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2025年第11期153-164,I0006,共12页
Polyethylene oxide(PEO)-based solid-state polymer electrolytes(SPE)face the challenges of insufficient ionic conductivity and uncontrollable Li dendrite growth.The filler strategy can reinforce anode interface stabili... Polyethylene oxide(PEO)-based solid-state polymer electrolytes(SPE)face the challenges of insufficient ionic conductivity and uncontrollable Li dendrite growth.The filler strategy can reinforce anode interface stability,but at the cost of a large filler content(usually more than 10 wt%).This would increase the granular sensation,gravitational separation risk,and electrolyte membrane roughness with the creation of inhomogeneous Li+transport channels between filler and polymer.Herein,we propose a trace filling strategy to address the above problems by introducing an amphoteric molecule L-Cysteine(LCy)as an eco-friendly and low-cost electrolyte additive.Only trace amount of LCy is required and integrated into PEO to form a homogenous,granule-less SPE with enhanced ionic conductivity and dendrite suppression capability.The ionic conductivity increases to 0.54 mS cm-1at 60℃ after introducing only 1 wt%LCy.The amphotericity of LCy with basic–NH2and acidic–COOH groups can promote the dissociation of Li salt and release more free Li ions through Lewis acid-base synergy,as well as the formation of multiple hydrogen bonds between PEO and LCy.The trace LCy additive swiftly leads to the formation of more ionic conductive interphases at both the anode and cathode sides.The composite SPE enables the stable cycling of Li metal for over 1400 h at 0.2 mA cm-2and sustains a maximum current density up to 1.4 mA cm-2in Li Li symmetric cells.The corresponding all-solid-state Li||FeF3full cells exhibit a high specific capacity up to 567 mA h g-1at 0.2 C and stable cycling performance for at least 700 cycles at 0.5 C with a high capacity retention.The excellent interface compatibility also guarantees the achievement of highcapacity Li-Fe-F conversion reaction even under the thin electrolyte membrane thickness and largerscale pouch cell configuration. 展开更多
关键词 Trace filler strategy Amphoteric molecules Polymer electrolytes Li-Fe-F conversion Reaction All-solid-state batteries
暂未订购 下载PDF
Flexible molecules dedicate to release strain of inverted inorganic perovskite solar cell 认领 引用 被引量：1
11
作者 Hongrui Sun Sanlong Wang +5 位作者 Pengyang Wang Yali Liu Shanshan Qi Biao Shi Ying Zhao Xiaodan Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2025年第1期87-93,共7页
The tensile strain in inorganic perovskite films induced by thermal annealing is one of the primary factors contributing to the inefficiency and instability of inorganic perovskite solar cells(IPSCs),which reduces the... The tensile strain in inorganic perovskite films induced by thermal annealing is one of the primary factors contributing to the inefficiency and instability of inorganic perovskite solar cells(IPSCs),which reduces the defect formation energy.Here,a flexible molecule 5-maleimidovaleric acid(5-MVA)was introduced as a strain buffer to release the residual strain of CsPbI2.85Br0.15perovskite.Maleic anhydride and carboxyl groups in 5-MVA interact strongly with the uncoordinated Pb2+through Lewis acid-base reaction,thus tightly“pull”the perovskite lattice.The in-between soft carbon chain increased the structural flexibility of CsPbI2.85Br0.15perovskite materials,which effectively relieved the intrinsic internal strain of CsPbI2.85Br0.15,resisted the corrosion of external strain,and also reduced the formation of defects such as VIand Pb0.In addition,the introduction of 5-MVA improved crystal quality,passivated residual defects,and narrowed energy level barriers.Eventually,power conversion efficiency(PCE)of NiOxbased inverted IPSCs increased from 19.25%to 20.82%with the open-circuit voltage enhanced from 1.164 V to 1.230 V.The release of strain also improved the stability of CsPbI2.85Br0.15perovskite films and devices. 展开更多
关键词 Inverted inorganic perovskite solar cells Flexible molecules Strain release Crystallization Energy barrier High PCE
暂未订购 下载PDF
Unraveling the structure-activity relationship of triazine-fused energetic molecules: Targeted performance modulation through substituent effects 认领 引用 被引量：1
12
作者 Ziwu Cai Tianyu Jiang +2 位作者 Wei Guo Yunhe Jin Wenquan Zhang 《Defence Technology（防务技术）》 SCIE EI CAS CSCD 2025年第12期59-69,共11页
This study preliminarily investigates the structure-activity relationships of novel [5,6]-fused ring energetic materials derived from the 6-nitro-7-azido-pyrazol [3,4-d][1,2,3]triazine 2-oxide(ICM-103) skeleton, empha... This study preliminarily investigates the structure-activity relationships of novel [5,6]-fused ring energetic materials derived from the 6-nitro-7-azido-pyrazol [3,4-d][1,2,3]triazine 2-oxide(ICM-103) skeleton, emphasizing the role of functional group substitution in tailoring key properties such as detonation performance and mechanical sensitivity. Strategic incorporation of nitrogen-rich substituents(e.g., hydrazine, guanidine) into the 1,2,3-triazine 2-oxide framework yielded compounds with diverse performance characteristics. Notably, compound 2 demonstrates energy performance(D = 8916 m·s-1 and P = 36.80 GPa) comparable to RDX, yet with lower mechanical sensitivity(IS = 37 J). Theoretical calculations show that the properties of the substituents themselves and their coupling with the molecular skeleton jointly determine the key properties of the target molecules. This study provides a framework for the customized design of energetic materials by linking the chemical properties of substituents with the performance parameters of target molecules. These findings highlight the potential of local molecular structural modification driven by structure-activity relationship analysis in promoting the development of next-generation energetic materials and lay a solid foundation for future research in this field. 展开更多
关键词 Structure-activity relationship Substituent effects Energetic molecules 1 2 3-Triazine 2-oxide Performance regulation
暂未订购 下载PDF
Mechanism modulating the redox chemistry of hexaazatriphenylene-based small molecules by push-pull electron effect for zinc-ion batteries 认领 引用 被引量：1
13
作者 Zhi-Qiang Wang Jing-Wei Liu +12 位作者 Jing-Jing Chen Yong-Cong Huang lftikhar Hussain Wen Luo Hui-Min Yuan Jing Hu Zhen-Yu Wang Ming-Yang Yang Ying-Zhi Li Gui-Yu Liu Shuai Gu Kai-Li Zhang Zhou-Guang Lu 《Rare Metals》 SCIE EI CAS CSCD 2025年第8期5345-5354,共10页
Organic compounds are promising electrode materials for aqueous zinc-ion batteries(AZIBs) but largely suffer from poor rate and cycling performance.This work reports that the push-pull electron effect of organic compo... Organic compounds are promising electrode materials for aqueous zinc-ion batteries(AZIBs) but largely suffer from poor rate and cycling performance.This work reports that the push-pull electron effect of organic compounds could be used to tune the electrochemical performance of AZIB s.Hexaazatriphenylene-based(HATN) small molecules with different withdrawing or donating groups were synthesized and used as electrodes for AZIBs.Compared to the hydrogen atoms and electrondonating methyl groups,the electron-withdrawing fluorine atoms endow HATN-based small molecule(HATN-6F)with a much-improved redox platform,rate performance and cycling stability.The fluorinated electrode HATN-6F potently amplifies and stabilizes the kinetics of cation co-(de)insertion reactions,concurrently enhancing the conductivity and electron affinity,resulting in improved rate performance and enhanced cycling stability.The combination of theoretical calculations and experimental characterization confirms that the fluorine-rich peripheral environment effectively modifies the distribution of conjugated electrons in HATN,enhancing its affinity for zinc ions and improving its capacity for cations zinc storage.This work demonstrates a new avenue for the design and synthesis of organic electrode with excellent electrochemical performance for ZIBs. 展开更多
关键词 Zinc-ion batteries Organicπ-conjugated molecules Fluorine-rich material Push-pull electron effect
暂未订购 下载PDF
Bacillus velezensis,a new valuable source of bioactive molecules within plant microbiomes and natural weapons for the biocontrol of plant pathogens 认领 引用 被引量：1
14
作者 Pengfei Jin Linglong Chu +6 位作者 Zhe Xuan Zheng Lin Yukai Fang Xiao Pan Jiatong Wang Wenbo Liu Weiguo Miao 《Tropical Plants》 CSCD 2025年第1期436-454,共19页
Bacillus spp.are widely used as a biological agent in the management of crop diseases.B.velezensis is a novel species of the genus Bacillus that produces various secondary metabolites,shows a broad spectrum of antimic... Bacillus spp.are widely used as a biological agent in the management of crop diseases.B.velezensis is a novel species of the genus Bacillus that produces various secondary metabolites,shows a broad spectrum of antimicrobial activities,and promotes plant growth.In addition,it is widely used for the biocontrol of plant diseases.Here,the discovery,classification,antimicrobial substances and related gene clusters,effect on microbiota,quorum sensing system,antagonistic mechanism,and application of B.velezensis are reviewed.This review summarizes the current knowledge,highlights existing problems regarding applications of B.velezensis for plant protection,and discusses future directions for research on this bacterial species.The present review will provide a useful reference for studies on B.velezensis and speed up the development of new formulations for its practical applications. 展开更多
关键词 plant microbiomes secondary metabolitesshows plant pathogens bioactive molecules biological agent biocontrol biocontrol plant diseasesherethe secondary metabolites
暂未订购 下载PDF
Rational design of metal-metal hydroxide interface for efficient electrocatalytic oxidation of biomass-derived platform molecules 认领 引用 被引量：1
15
作者 Yuchen Wang Zhenhao Xu Kai Yan 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2025年第1期10-12,共3页
With the acceleration of global industrialization,the human society has an increasing demand for high-value chemicals.Such chemicals are mostly derived from non-renewable fossil fuels,causing inevitable energy shortag... With the acceleration of global industrialization,the human society has an increasing demand for high-value chemicals.Such chemicals are mostly derived from non-renewable fossil fuels,causing inevitable energy shortage and accompanied environmental pollution issues during the conversion processes[1].Recently,biomass-derived platform molecules with abundant source,low price,and variable chemical structure have attracted tremendous attention from researchers,and their catalytic oxidation has become a promising route to reduce the dependence of fossil fuels and alleviate the harmful impact of environmental pollution for the production of high-value chemicals[2]. 展开更多
关键词 rational design metal metal hydroxide interface energy shortage electrocatalytic oxidation catalytic oxidation environmental pollution global industrialization biomass derived platform molecules
Highly Oxidized Molecules Make a Significant Contribution to Enhanced Aromatic-Derived Secondary Organic Aerosol under a Humid Environment 认领 引用 被引量：1
16
作者 Zhaomin YANG Kun LI Lin DU 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2025年第4期641-652,共12页
Enhanced mass concentrations of aromatic-derived secondary organic aerosol(SOA)are frequently observed during humid-haze events.However,the influencing mechanism of relative humidity(RH)in aromatic-derived SOA formati... Enhanced mass concentrations of aromatic-derived secondary organic aerosol(SOA)are frequently observed during humid-haze events.However,the influencing mechanism of relative humidity(RH)in aromatic-derived SOA formation remains incompletely understood.Here,the RH dependence of SOA formation in the presence of NOx was explored by a series of chamber experiments for toluene(TOL)and 1,3,5-trimethylbenzene(TMB)photooxidation.The yield of TOL SOA and TMB SOA increased by 221%and 52%with increasing RH from~8%to~70%,respectively.Analytical results from a high-resolution mass spectrometer showed that SOA constituents with high oxygen content(O/C>0.6)were more abundant in SOA formed in the~70%RH experiment.The elevated yields and O/C of SOA could be attributed to the promoted formation and particle-phase diffusivity of highly oxidized molecules.In addition,in comparison with TMB,TOL could produce more unsaturated aldehydes,which are oxidized into carboxylic acids with high O/C,leading to a more sensitive response of TOL SOA formation to the change in RH.Our work provides mechanistic insights into RH roles in aromatic SOA formation and is helpful for a better understanding of humid-haze events. 展开更多
关键词 secondary organic aerosol aromatic hydrocarbons highly oxidized molecules relative humidity
暂未订购 下载PDF
Role of Multi-Electron and Multi-Orbital Effects in High-Order Harmonic Generation of Benzonitrile Molecules 认领 引用
17
作者 Man Xing Jun Wang +1 位作者 Xi Zhao Shushan Zhou 《Chinese Physics Letters》 SCIE EI CAS CSCD 2025年第4期43-49,共7页
Multi-electron and multi-orbital effects play a crucial role in the interaction of strong laser fields with complex molecules.Here,multi-electron effects encompass not only electron-electron Coulomb interactions and e... Multi-electron and multi-orbital effects play a crucial role in the interaction of strong laser fields with complex molecules.Here,multi-electron effects encompass not only electron-electron Coulomb interactions and exchangecorrelation effects but also the interference between the dynamics of different electron wave packets. 展开更多
关键词 electron wave packets multi electron effects multi orbital effects high order harmonic generation benzonitrile molecules exchangecorrelation effects complex moleculesheremulti electron interference dynamics
暂未订购 下载PDF
19.1%Efficiency PM6:Y6 based ternary organic solar cells enabled by isomerization engineering of A2-A1-D-A1-A2type guest molecules 认领 引用
18
作者 Huijuan Ran Bingjie Zhou +6 位作者 Leyi Tang Kehui Wang Jia Yao Bo Xiao Yunfeng Xu Qing Guo Erjun Zhou 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2025年第9期577-583,I0015,共7页
In recent years,the ternary strategy of adding a guest molecule to the active layer has been proven to be effective for improving the performance of organic solar cells(OSCs).Isomerization engineering of the guest mol... In recent years,the ternary strategy of adding a guest molecule to the active layer has been proven to be effective for improving the performance of organic solar cells(OSCs).Isomerization engineering of the guest molecule is a simple method to increase the amount of promising material,but there are only limited reports,and the structure-property relationships are still unclear.In this work,we synthesized three isomers named BTA5-F-o,BTA5-F-m,and BTA5-F-p,with different fluorine substitution positions,to study the influence of isomerization on the photovoltaic performance.After introducing them as the third components to the classic host system PM6:Y6,all three ternary devices showed improved power conversion efficiency(PCEs)compared to the binary system(PCE of 17.46%).The ternary OSCs based on BTA5-F-o achieved a champion PCE of 19.11%,while BTA5-F-m and BTA5-F-p realized PCEs of 18.65%and 18.45%,respectively.Mechanism studies have shown that the dipole moment of the BTA5-F-o end group is closer to that of the Y6 end group,despite the three isomers with almost identical energy levels and optical properties.It is indicated that the electron attraction ability of BTA5-F-o best matches that of Y6,which leads to the higher charge mobility,less charge recombination,and stronger exciton dissociation and extraction ability in the ternary blend system.This study suggests that rationally adjusting the position of substituents in the terminal group can be an effective way to construct nonfullerene guest acceptors to achieve highly efficient ternary OSCs. 展开更多
关键词 Ternary organic solar cells Guest molecules Isomerization Nonfullerene acceptors Charge transfer
暂未订购 下载PDF
Adsorption mechanism of multiple water molecules on tricalcium silicate (001) surface: A DFT study 认领 引用
19
作者 Xinhang Xu Zirou Liu +2 位作者 Dino Spagnoli Danial Jahed Armaghani Chongchong Qi 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2025年第8期2034-2042,共9页
An in-depth understanding of the hydration mechanism of tricalcium silicate is an important basis for optimizing cement strength development.In this study,the adsorption of water molecules onto the M3-C3S(001)surface ... An in-depth understanding of the hydration mechanism of tricalcium silicate is an important basis for optimizing cement strength development.In this study,the adsorption of water molecules onto the M3-C3S(001)surface at different water coverage levels(θ=1/5,2/5,3/5,4/5,and 1)was investigated using first-principles calculations.The results demonstrate that the conclusions obtained for single water molecule adsorption cannot be fully applied to multiple water molecule adsorption.The total adsorption energies become more negative with increasing water coverage,while the average adsorption energy of each water molecule becomes more positive with increasing water coverage.The water–water interactions reduce the water–surface interactions and are responsible for the anticooperative adsorption of multiple water molecules onto M3-C3S(001).The formation of Ca–OH(–Ca)bonds favors the detachment of Ca from co-valent oxygen,which reveals the significant role of dissociative adsorption.This work aims to extend the water adsorption study on M3-C3S(001)from single water molecule adsorption to multiple water molecule adsorption,providing more detailed insights into the initial water reaction on the C3S surface. 展开更多
关键词 cement hydration tricalcium silicate water molecules first-principles calculations adsorption
暂未订购 下载PDF
Macrocyclic host molecules:Rising as a promising supramolecular material 认领 引用
20
作者 Xinguo Mao Shuo Zhang +2 位作者 Qiang Shi Hua Cheng Leyong Wang 《Chinese Chemical Letters》 SCIE CAS CSCD 2025年第6期1-3,共3页
The ring has been a romantic fascination throughout the ages,embodying not only beauty and order but also harboring numerous undisclosed properties awaiting discovery.In the realm of supramolecular chemistry,macrocycl... The ring has been a romantic fascination throughout the ages,embodying not only beauty and order but also harboring numerous undisclosed properties awaiting discovery.In the realm of supramolecular chemistry,macrocycles,with a cyclic structure and a central cavity like a doughnut,captivate the attention of scientists[1].In 1967,Pedersen's groundbreaking revelation that alkali metal ions could"fall into"the cavities of a cyclic ether named crown ether,even in organic solvents,unveiled a novel universe of macrocycle chemistry.Since then,numerous macrocyclic structures in nature have been discovered,isolated,and scrutinized.Drawing inspiration from nature,chemists endeavor to explore the vast potential of macrocyclic compounds by designing and synthesizing artificial macrocycles with diverse structural features and recognition properties. 展开更多
关键词 supramolecular chemistrymacrocycleswith organic solventsunveiled crown ether macrocyclic host molecules structural features cyclic ether supramolecular chemistry alkali metal ions
暂未订购 下载PDF
已选0条
引用分析
参考文献
引证文献
 统计分析
检索结果
已选文献
上一页 1 2 … 118 下一页 到第 页
在线咨询 使用帮助 返回顶部 意见反馈