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Probe the Effects of Surface Adsorbates on ZnO Nanowire Conductivity using Dielectric Force Microscopy
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作者 陈琪 卢威 +3 位作者 吴昱昆 丁怀义 王兵 陈立桅 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2014年第5期582-586,I0004,共6页
Characterization of electric properties of nanomaterials usually involves fabricating field effect transistors (FET) and deriving materials properties from device performances. However, the quality of electrode cont... Characterization of electric properties of nanomaterials usually involves fabricating field effect transistors (FET) and deriving materials properties from device performances. However, the quality of electrode contacts in FET devices heavily influences the device performance, which makes it difficult to obtain the intrinsic electric properties of nanomaterials. Dielectric force microscopy (DFM), a contactless method developed recently, can detect the low-frequency dielectric responses of nanomaterials without electric contact, which avoids the influence of electric contact and can be used to study the intrinsic conductivity of nanomaterials. Here we study the influences of surface adsorbates on the conductivity of ZnO nanowires (NWs) by using FET and DFM methods. The conductivity of ZnO NW is much larger in N2 atmosphere than that in ambient environment as measured by FET device, which is further proven by DFM measurement that the ZnO NW exhibits larger dielectric response in N2 environment, and the influence of electrode contacts on measurement can be ruled out. Based on these results, it can be concluded that the adsorbates on ZnO NW surface highly influence the conductivity of ZnO NW rather than the electrode contact. This work also verifies the capability of DFM in measuring electric properties of nanomaterials. 展开更多
关键词 Dielectric force microscopy ZnO nanowire Field-effect transistor Surface adsorbate
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Deciphering the linear relationship in the activity of the oxygen reduction reaction on Pt electrodes:A decisive role of adsorbates
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作者 Haowen Cui Yan-Xia Chen 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第7期70-77,共8页
Despite substantial efforts in developing high-performance catalysts for the oxygen reduction reaction(ORR),the persistent challenge lies in the high onset overpotential of the ORR,and the effect of the elec-trolyte s... Despite substantial efforts in developing high-performance catalysts for the oxygen reduction reaction(ORR),the persistent challenge lies in the high onset overpotential of the ORR,and the effect of the elec-trolyte solution cannot be ignored.Consequently,we have systematically investigated the impact of adsorbate species and concentration,as well as solution pH,on the ORR activity on Pt(111)and Pt(poly)electrodes.The results all tend to establish a linear quantitative relationship between the onset potential for ORR and the adsorption equilibrium potential of the adsorbate.This finding indicates the decisive role of adsorbates in the onset potential for ORR,suggesting that the adsorption potential of adsorbates can serve as an intuitive criterion for ORR activity.Additional support for this conclusion is derived from experimental results obtained from the oxygen evolution reaction on Pt(poly)with different adsorbate species and from the hydrogen evolution reaction on Pt(111)with iodine adsorption.We further propose both an empirical equation for the onset potential for ORR and the concept of a potential-regulated adsor-bate shielding effect to elucidate the influence of adsorbates on ORR activity.This study provides new insights into the high onset overpotential of the ORR and offers potential strategies for predicting and enhancingORRactivity inthefuture. 展开更多
关键词 Oxygen reduction reaction ACTIVITY adsorbate Equilibrium potential Pt(111)
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Halogen adsorbates on polymer-stabilized gold clusters: Mass spectrometric detection and effects on catalysis
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作者 Ryo Ishida Setsuka Arii +4 位作者 Wataru Kurashige Seiji Yamazoe Kiichirou Koyasu Yuichi Negishi Tatsuya Tsukuda 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2016年第10期1656-1661,共6页
The mass spectrometry of gold clusters stabilized by poly(N‐vinyl‐2‐pyrrolidone) (Au:PVP) re‐vealed the presence of Cl adsorbates derived from synthetic precursors, mainly on the Au34 and Au43 clusters. Chang... The mass spectrometry of gold clusters stabilized by poly(N‐vinyl‐2‐pyrrolidone) (Au:PVP) re‐vealed the presence of Cl adsorbates derived from synthetic precursors, mainly on the Au34 and Au43 clusters. Changes in the amount of Cl adsorbates on the Au clusters did not affect the catalytic prop‐erties for the aerobic oxidation of benzyl alcohol, suggesting that the Cl atoms were only weakly bound to the Au clusters. In contrast, the replacement of Cl with Br on the Au34 and Au43 clusters significantly suppressed activity, without any influence on the electronic structure. This result indi‐cated that the Br atoms were strongly bound to the Au clusters and sterically blocked their active sites. The substantial reduction of the catalytic activity by the Br adsorbates suggested that the Au34 and Au43 clusters made a major contribution to the catalytic activity of the Au:PVP. 展开更多
关键词 Gold cluster Halogen adsorbates Aerobic alcohol oxidation Mass spectrometry
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ADSORBATE-INDUCED RECONSTRUCTIONS OF Mo(OO1) SURFACE
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作者 ZI Jian ZHANG Kaiming XIE Xide 《Chinese Physics Letters》 SCIE CAS CSCD 1989年第8期366-369,共4页
The monolayer adsorbed Mo(001)surface is studied by the slab dynamical calculation by using the nearest and next nearest neighbour interactions.The phase diagram is obtained for light,heavy atom adsorbed and clean Mo(... The monolayer adsorbed Mo(001)surface is studied by the slab dynamical calculation by using the nearest and next nearest neighbour interactions.The phase diagram is obtained for light,heavy atom adsorbed and clean Mo(001)surface.The surface reconstruction induced by the interactions between adsorbed atoms is dicussed. 展开更多
关键词 SURFACE adsorbed nearest
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Light-responsive adsorbentswithtunableadsorbent-adsorbate interactions forselective CO_(2) capture
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作者 Peng Tan Yao Jiang +5 位作者 Qiurong Wu Chen Gu Shichao Qi Qiang Zhang Xiaoqin Liu Linbing Sun 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2022年第2期104-111,共8页
Amines in porous materials have been employed as active species for the selective CO_(2) adsorption from natural gas because of their target-specific interactions.Nevertheless,it is difficult to modulate such strong i... Amines in porous materials have been employed as active species for the selective CO_(2) adsorption from natural gas because of their target-specific interactions.Nevertheless,it is difficult to modulate such strong interactions to reach a high efficiency in the adsorption processes.Herein,we fabricated lightresponsive adsorbents with tunable adsorbent–adsorbate interactions for CO_(2) capture.The adsorbents were synthesized by introducing primary and secondary amines into a mesoporous silica that had been grafted with azobenzene groups on the surfaces.The target-specific amine sites render the adsorbents significantly selective in the uptake of CO_(2) over CH_(4),and the azobenzene groups were used as lightresponsive switches to influence the adsorbent–adsorbate interactions.The adsorbents can freely adsorb CO_(2) when the azobenzene groups are in the trans state.Ultraviolet-light irradiation makes the azobenzene groups transform to the cis configuration,which greatly hinders amines in the uptake of CO_(2).The caused difference of adsorption capacity can reach 34.9%.The alternative irradiation by ultravioletand visible-light can lead to a recyclable regulation on adsorption performance.The changes of the electrostatic potentials of amines are responsible for the light-induced regulation on adsorption. 展开更多
关键词 Adsorbents CO_(2)capture Selectivity Light responsiveness AZOBENZENE
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Molecular adsorbate effects on graphite-silica superlubricity:A ReaxFF investigation
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作者 Marcus C.Perovich Luis E.Paniagua-Guerra +3 位作者 Qian Mao Seong H.Kim Adri C.T.van Duin Bladimir Ramos-Alvarado 《Friction》 2025年第8期209-221,共13页
Graphite has achieved widespread recognition as an effective solid lubricant due to its high functionality across diverse environmental conditions.Although superlubricity or ultra-low friction is readily observed at t... Graphite has achieved widespread recognition as an effective solid lubricant due to its high functionality across diverse environmental conditions.Although superlubricity or ultra-low friction is readily observed at the graphite basal plane,it has been reported that certain adsorbates from the surrounding environment can deteriorate this friction regime.Here,we conducted a fundamental analysis on the effect of phenol,pentanol,and water adsorbates on the friction of graphite-silica interfaces using molecular dynamics simulations with the reactive force field ReaxFF.First,we evaluated three ReaxFF parameter sets optimized using friction-pertinent properties.It was observed that the force field optimization objective played a major role in the calculated tribological properties.Secondly,parameters such as normal load and motion directionality were investigated.Additionally,adsorption,and binding energy calculations were performed to expand upon the hypothesis that friction may be directly correlated to the interfacial molecular structure rather than binding energy and adsorbate commensuration with graphene.By quantitatively representing the interfacial roughness of each adsorbate,the hypothesis was confirmed by unequivocally explaining the calculated friction coefficients. 展开更多
关键词 reactive force field(ReaxFF) friction SUPERLUBRICITY adsorbate molecular dynamics
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The critical role of electrochemically activated adsorbates in neutral OER 被引量:3
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作者 Longsheng Zhang Haiyang Yuan +9 位作者 Liping Wang Hui Zhang Yijing Zang Yao Tian Yunzhou Wen Fenglou Ni Hao Song Haifeng Wang Bo Zhang Huisheng Peng 《Science China Materials》 SCIE EI CSCD 2020年第12期2509-2516,共8页
Developing efficient electrocatalysts for the oxygen evolution reaction(OER)under neutral conditions is important for microbial electrolysis cells(MECs).However,the OER kinetics in neutral electrolytes at present are ... Developing efficient electrocatalysts for the oxygen evolution reaction(OER)under neutral conditions is important for microbial electrolysis cells(MECs).However,the OER kinetics in neutral electrolytes at present are extremely sluggish,resulting in high overpotentials that greatly limit the energy conversion efficiencies of MECs.Previous studies failed to probe the adsorbates on surface metal sites of catalysts at the atomic scale and elucidate their influence on the catalytic activities,which has impeded the rational design of efficient neutral OER catalysts with optimal surface structures.Here,using in situ transmission electron microscopy(TEM),in situ X-ray photoelectron spectroscopy(XPS)and in situ low-energy ion scattering studies,we have identified,for the first time,that the electrochemically activated adsorbates on surface metal sites play a critical role in boosting the neutral OER activities of Ru-Ir binary oxide(RuxIryO2)catalysts.The adsorbate-activated RuxIryO2on a glassy carbon electrode achieved a low overpotential of 324 m V at10 m A cm-2in neutral electrolyte,with a 36-fold improvement in turnover frequency compared with that of Ir O2benchmark.Upon application in an MEC system,the resulting full cell showed a decreased voltage of 1.8 V,200 m V lower than the best value reported to date,facilitating efficient synthesis of poly(3-hydroxybutyrate)from bioelectrochemical CO_(2)reduction.Density functional theory(DFT)studies revealed that the enhanced OER activity of RuxIryO2catalyst arose from local structural distortion of adjacent adsorbate-covered Ru octahedra at the catalyst surface and the consequently decreased adsorption energies of OER intermediates on Ir active center. 展开更多
关键词 ELECTROCATALYSIS oxygen evolution reaction adsorbateS neutral electrolytes
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Image interpretation of weak-coupling N-mer adsorbate's STM system 被引量:1
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作者 HUANG Xintang, Ql Shouren, LI Xinjiao and LI Yongping1 Department of Physics, Central China Normal University, Wuhan 430070, China Department of Solid State Electronics, Huazhong University of Science and Technology, Wuhan 430074, China 2. Department of Physics, University of Science and Technology of China, Hefei 230026, China 《Chinese Science Bulletin》 SCIE EI CAS 1997年第5期371-374,共4页
Up to now, there have been many indistinctive points in the image interpretation of scanning tunnelhng microscopy (STM) system, and the problems have attracted almost all STM scientists’ attention. In 1992, Kenkre pr... Up to now, there have been many indistinctive points in the image interpretation of scanning tunnelhng microscopy (STM) system, and the problems have attracted almost all STM scientists’ attention. In 1992, Kenkre proposed the new programme which describes the behaviour of the electrons moving in the STM tunnelling by the method of exciton dynamics, and the programme not only breaks through the restrictions of Tersoff-Hamann theory, but also can be applied conveniently to discussing the effects of the tip structure, adsorbate structure, substrate structure, temperature, tunneling voltage, and the degree of coherence of elec- 展开更多
关键词 WEAK-COUPLING N-mer adsorbateS STM image interpretation exciton dynamics method.
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Advances in the Construction and Application of Lignin-Based Hydrogels
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作者 JiaziWang Yanxia An +4 位作者 Jingyuan Su Keke Liu Jian Zhang Yang Zhao Linlin Li 《Journal of Renewable Materials》 2026年第2期26-49,共24页
Lignin,the most abundant natural aromatic polymer globally,has garnered considerable interest due to its rich and diverse active functional groups and its antioxidant,antimicrobial,and adhesive properties.Recent resea... Lignin,the most abundant natural aromatic polymer globally,has garnered considerable interest due to its rich and diverse active functional groups and its antioxidant,antimicrobial,and adhesive properties.Recent research has significantly improved the performance of lignin-based hydrogels,suggesting their substantial potential in fields such as biomedicine,environmental science,and agriculture.This paper reviews the process of lignin extraction,systematically introduces synthesis strategies for preparing lignin-based hydrogels,and discusses the current state of research on these hydrogels in biomedical and environmental protection fields.It concludes by identifying the existing challenges in lignin hydrogel research and envisioning future prospects and development trends. 展开更多
关键词 LIGNIN HYDROGEL application controlled drug delivery ADSORBENT
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Multi-value-added products from biogas residue pyrolysis derived from kitchen waste
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作者 Chuanjin Lin Bin Dong Zuxin Xu 《Journal of Environmental Sciences》 2026年第2期364-373,共10页
Resourceful food waste treatment is essential for promoting the sustainable development of anaerobic digestion and realizing a circular economy.In this study,biogas residue(BR)was used as a feedstock to produce highva... Resourceful food waste treatment is essential for promoting the sustainable development of anaerobic digestion and realizing a circular economy.In this study,biogas residue(BR)was used as a feedstock to produce highvalue-added products(gas,tar,and char-derived high-performance adsorbents)using pyrolysis technology(at 400–800℃).CaCO_(3),the major component of ash,significantly improved the quality of the pyrolysis product by decomposing into CO_(2) and CaO.The gasification reaction of CO_(2) with coke generated substantial CO and facilitated the formation of a rich pore structure in the char.CaO improved tar quality by contributing to secondary cracking reactions and reducing water content.The composite material formed exhibited excellent performance in wastewater treatment,with a maximum methylene blue adsorption capacity of 969.30 mg/g.The maximum adsorption of heavy metals Cu^(2+),Pb^(2+),and Cd^(2+)was 175.44,244.93,and 199.50 mg/g,respectively.The ash fraction on the ash-biochar composite material adsorbent surface enhanced pollutant removal by providing an alkaline adsorption environment and more oxygen-based n-π interaction sites.The economic analysis showed that the high value-added products obtained from the pyrolysis of BR make this process more productive than land use. 展开更多
关键词 Biogas residue PYROLYSIS Value-added products Adsorbents
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Tailoring the Properties of Balsa and Pulai Wood Sponge through Dual-Stages Delignification as a Potential Bio-Based Adsorbent
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作者 Hapidh Alaudin Syalsabil Imam Wahyudi +2 位作者 Deazy Rachmi Trisatya Sarah Augustina Sari Delviana Marbun 《Journal of Renewable Materials》 2026年第3期123-147,共25页
The increasing need for efficient,sustainable,and environmentally friendly adsorbent materials has driven interest in bio-based alternatives.Conventional silica-based adsorbents,while effective,are often brittle and e... The increasing need for efficient,sustainable,and environmentally friendly adsorbent materials has driven interest in bio-based alternatives.Conventional silica-based adsorbents,while effective,are often brittle and energy-intensive to produce.In contrast,wood offers a renewable and low-energy option with natural porosity suitable for adsorption.This study investigated the fabrication of wood sponge from tropical balsa(Ochroma bicolor)and pulai(Alstonia scholaris)wood through a dual-stage delignification process as a novel bio-based adsorbent.The process involved alkaline treatment using sodium sulfite(Na_(2)SO_(3))and sodium hydroxide(NaOH)at 100℃for 8,9,and 10 h,followed by bleaching process using hydrogen peroxide(H_(2)O_(2))at 100℃for 1,2,and 3 h.The treated samples were then rinsed to neutral pH,frozen at−20℃for 24 h,and freeze-dried at−50℃for 48 h.The results revealed a notable reduction in density and specific gravity,accompanied by increased weight loss and pore diameter size with prolonged delignification process.Optical changes showed increased translucency and layered structures,particularly in balsa wood.FTIR analysis confirmed a reduction in lignin and hemicellulose content,validating the chemical modification within the treated samples.The resulting wood sponges exhibited good porosity and adsorption capacity,ranging from 1.3 to 5.7 g/g.The optimal treatment—10 h of alkaline delignification followed by 3 h of H_(2)O_(2)bleaching—demonstrated the highest performance,highlighting the potential of tropical wood species as efficient,biodegradable,and eco-friendly adsorbent materials. 展开更多
关键词 Adsorbent materials balsa wood delignification process pulai wood wood sponge
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Proton-Driven Multistage System Enables Selective Recovery of Gold and Palladium from Electronic Waste Leachate
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作者 Ziwen Chang Yingying Zhou +7 位作者 Penghui Shao Liming Yang Bo Li Dewei Li Lingrong Zeng Yi Gong Xubiao Luo Shenglian Luo 《Energy & Environmental Materials》 2026年第1期177-187,共11页
Selective extraction of precious metals from urban mines plays a crucial role in mitigating the risk of depletion of precious metal resources and reducing waste pollution.However,a major obstacle in precious metal ext... Selective extraction of precious metals from urban mines plays a crucial role in mitigating the risk of depletion of precious metal resources and reducing waste pollution.However,a major obstacle in precious metal extraction lies in the difficulty of distinguishing the subtle differences in the physicochemical characteristics between them,especially gold and palladium.Herein,a proton-driven separation system was presented for cascade recovery of gold and palladium from waste-printed circuit boards(W-PCBs)leachate using poly(amidoxime)(PAO)hydrogel.This exhibits an ultra-high capacity,extra-fast rate,and excellent selectivity for the extraction of Au(Ⅲ)and Pd(Ⅱ).Notably,the separation of Au(Ⅲ)and Pd(Ⅱ)can be achieved with high selectivity at pH=0,resulting in a remarkable separation factor of k_(Au(Ⅲ)/Pd(Ⅱ))=36.5.This was demonstrated to originate from the differential mechanism of PAO hydrogel for the capture of Au(Ⅲ)and Pd(Ⅱ)under proton-mediated conditions.Drawing inspiration from the mechanism,the proton-driven cascade recovery system demonstrates remarkable efficiency in sequentially recovering 99.92%of gold and 99.05%of palladium from W-PCBs acid leachate.This research opens up a strategy to precisely separate and recover precious metals from e-waste of urban mines. 展开更多
关键词 adsorbent regeneration gradient separation precious metals recovery selective adsorption
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Correcting Errors in the Adsorbed Intermediates of CO_(2)Electroreduction
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作者 Ricardo Urrego-Ortiz Camberly Schaffer Zhong +3 位作者 Wei Jie Teh Santiago Builes Boon Siang Yeo Federico Calle-Vallejo 《Carbon Energy》 2026年第2期271-283,共13页
Density functional theory(DFT)has helped propel the advance of electrocatalysis in the past two decades.In view of its massive use,it is worth asking how reliable DFT is for the prediction of adsorption energies,which... Density functional theory(DFT)has helped propel the advance of electrocatalysis in the past two decades.In view of its massive use,it is worth asking how reliable DFT is for the prediction of adsorption energies,which are paramount in computational electrocatalysis models.Here,we provide an experimental-computational approach to break down overall adsorption-energy errors into separate gas-phase and adsorbed-phase contributions.The method is evaluated using experimental data and various exchange-correlation functionals and materials for C-and O-containing species.Our main conclusion is that no functional is simultaneously accurate for adsorbates and molecules,as adsorbed-phase errors are visibly different from gas-phase errors.Importantly,total,gas-phase,and adsorbed-phase errors are correlated,revealing intrinsic DFT limitations and enabling the elaboration of swift correction routines.To illustrate the benefits of our approach,we deconvolute and correct all errors in CO_(2)electroreduction to CO and find an agreement with experiments close to chemical accuracy for numerous transition-metal electrodes and all scrutinized functionals. 展开更多
关键词 adsorption energieswhich adsorption energies density functional theory dft computational electrocatalysis density functional theory adsorbed intermediates computational electrocatalysis modelsherewe experimental data
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Bipolar and NIR-responsive Polyurethane Microspheres as a Bifunctional Adsorbent for Simultaneous Capture of Bacteria and Removal of Dyes
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作者 Shi-Fan Chen Jia-Lin Su +5 位作者 Si-Xian Zhang Zhen Hu Jian-Xu Bao Xia-Yu Cha Wei-Feng Zhao Chang-Sheng Zhao 《Chinese Journal of Polymer Science》 2026年第2期315-330,I0007,共17页
Hospital wastewater contains complex pollutants,including residual organic dyes and antibiotic-resistant pathogens,posing severe risks to ecosystems and human health.Conventional adsorbents,constrained by monopolar fu... Hospital wastewater contains complex pollutants,including residual organic dyes and antibiotic-resistant pathogens,posing severe risks to ecosystems and human health.Conventional adsorbents,constrained by monopolar functional groups and limited surface sites,fail to remove both pollutants simultaneously.Here,we report an intelligent responsive polyurethane microsphere adsorbent doped with diallyl dimethylammonium chloride modified carbon nanotubes,termed as PUCD microspheres.The PUCD integrates bipolar adsorption sites,tunable micrometer-scale pores,and a near-infrared(NIR)-triggered in situ capture mechanism within a single platform,which achieves up to 98.3%dye removal,maintains strong adsorption performance across a wide pH range and retains 83.3%efficiency for rhodamine B after five cycles.Notably,the PUCD employs a temperature-responsive phase transition:under NIR irradiation,the microspheres undergo shrinkage,reducing the pore size to generate a‘polymer trap',enabling in situ capture of bacteria with>99%efficiencies for both Staphylococcus aureus and Escherichia coli.By immobilizing live bacteria,the PUCD microspheres substantially reduces the risk of pathogen desorption and toxin release.This promising platform offers a safe,efficient,and single-stage strategy for hospital wastewater purification,enabling the simultaneous elimination of dyes and pathogenic bacteria. 展开更多
关键词 Intelligent responsive adsorbent Tunable micrometer-sized pore Bipolar adsorption sites
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Unveiling NO_(x) elimination performance on a Ce-based AdSCR catalyst
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作者 Yuxin Fan Yan Huang +4 位作者 Shuang Liu Tao Lin Jianli Wang Yaoqiang Chen Haidi Xu 《Journal of Rare Earths》 2026年第3期832-840,I0004,共10页
In order to prevent the emission of NO_(x) from diesel engines during the cold-start period,a NO_(x) adsorption selective catalytic reduction(AdSCR)catalyst was prepared by combining a selective catalytic reduction(SC... In order to prevent the emission of NO_(x) from diesel engines during the cold-start period,a NO_(x) adsorption selective catalytic reduction(AdSCR)catalyst was prepared by combining a selective catalytic reduction(SCR)catalyst with an NO_(x) adsorbent.In this study,CeO_(2)/Al_(2)O_(3)(Ce/Al)was employed as the NO_(x) adsorbent,combined with WO_(3)/CeZrO_(x)(W/CZ)as a promising SCR catalyst,to prepare an AdSCR catalyst.The characterization results demonstrate that the synergistic effects of the combined catalyst significantly enhance the activated oxidation of NO_(x) in comparison to the individual catalysts.The addition of Ce/Al enhances the adsorption of NO_(x) on the catalysts,which is then reduced to N_(2) and H_(2)O by NH_(3) under the action of W/CZ catalysts.The results of the NH_(3)-SCR activity test indicate that an excess of Ce/Al results in a reduction in SCR performance,suggesting that there is a balance between the SCR component and the NO_(x) adsorbent.The optimal combination of 20 wt%Ce/Al+W/CZ(20CA-W/CZ)catalyst demonstrates enhanced NO_(x) adsorption-storage performance while maintaining the exceptional NH_(3)-SCR performance.The NO_(x) complete storage time of the 20CA-W/CZ catalyst is 125 s,which is nearly twice as long as that of the Ce/Al and W/CZ catalysts.Furthermore,the NO_(x) conversion of the 20CA-W/CZ catalyst at low temperatures is approximately 10%higher than that of the W/CZ catalyst.The findings of this study offer a promising s trategy for the design of high-performance AdSCR catalysts in the future. 展开更多
关键词 AdSCR NO_(x)adsorption-storage NH_(3)-SCR NO_(x)adsorbent NO_(x)removal Rare earths
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Adsorption space for microporous polymers with diverse adsorbate species
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作者 Dylan M.Anstine Dai Tang +1 位作者 David S.Sholl Coray M.Colina 《npj Computational Materials》 SCIE EI CSCD 2021年第1期482-490,共9页
The enormous number of combinations of adsorbing molecules and porous materials that exist is known as adsorption space.The adsorption space for microporous polymers has not yet been systematically explored,especially... The enormous number of combinations of adsorbing molecules and porous materials that exist is known as adsorption space.The adsorption space for microporous polymers has not yet been systematically explored,especially when compared with efforts for crystalline adsorbents.We report molecular simulation data for the adsorptive and structural properties of polymers of intrinsic microporosity with a diverse set of adsorbate species with 345 distinct adsorption isotherms and over 240,000 fresh and swollen structures.These structures and isotherms were obtained using a sorption-relaxation technique that accounts for the critical role of flexibility of the polymeric adsorbents.This enables us to introduce a set of correlations that can estimate adsorbent swelling and fractional free volume dilation as a function of adsorbate uptake based on readily characterized properties.The separation selectivity of the 276 distinct binary molecular pairs in our data is reported and high-performing adsorbent systems are identified. 展开更多
关键词 PROPERTIES ADSORBENT ADSORPTION
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Construction of sintering-resistant gold catalysts via ascorbic-acid inducing strong metal-support interactions
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作者 Yunxia Liu Guandong Wu +4 位作者 Lin Li Yiming Niu Bingsen Zhang Botao Qiao Junhu Wang 《Chinese Chemical Letters》 2025年第4期256-263,共8页
Maintaining high metal dispersion of supported metal catalysts to achieve superior reactivity under harsh conditions poses one of the main challenges for their practical applications.Constructing and regulating the st... Maintaining high metal dispersion of supported metal catalysts to achieve superior reactivity under harsh conditions poses one of the main challenges for their practical applications.Constructing and regulating the strong metal-support interactions(SMSI)by diverse methodologies has emerged as one of the promising approaches to fabricating robust supported metal catalysts.In this study,we report an L-ascorbic acid(AA)-inducing strategy to generate SMSI on a titania-supported gold(Au)catalyst after high-temperature treatment in an inert atmosphere(600℃,N_(2)).The AA-induced SMSI can efficiently stabilize Au nanoparticles(NPs)and preserve their catalytic performance.The detailed study reveals that the key to realizing this SMSI is the generation of oxygen vacancies within the TiO_(2) support induced by the adsorbed AA,which drives the formation of the Ti Oxpermeable layer onto the Au NPs.The strategy could be extended to TiO_(2)-supported Au catalysts with different crystal phases and platinum group metals,such as Pt,Pd,and Rh.This work offers a promising novel route to design stable and efficient supported noble metal catalysts by constructing SMSI using simple reducing organic adsorbent. 展开更多
关键词 Supported metal catalyst adsorbate L-Ascorbic acid Oxygen vacancy Strong metal-support interaction
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Dual-shell hollow nanospheres NiCo_(2)S_(4)@CoS_(2)/MoS_(2): Enhancing catalytic activity for oxygen evolution reaction and achieving water splitting via the unique synergistic effects of mechanisms of adsorption- desorption and lattice oxygen oxidation
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作者 Yang Chen Yu Tang +4 位作者 Leiyun Han Jiayan Liu Yingjie Hua Xudong Zhao Xiaoyang Liu 《Chinese Journal of Catalysis》 2025年第7期394-410,共17页
Activating both metal and lattice oxygen sites for efficient oxygen evolution reactions(OER)is a critical challenge.This study pioneers a novel approach,employing cobalt-nickel glycerate solid spheres(CoNi-G SSs)as se... Activating both metal and lattice oxygen sites for efficient oxygen evolution reactions(OER)is a critical challenge.This study pioneers a novel approach,employing cobalt-nickel glycerate solid spheres(CoNi-G SSs)as self-sacrificial templates to synthesize yolk-shell structured CoNi-G SSs@ZIF-67 nanospheres.The derived NiCo2S4@CoS2/MoS2 double-shelled hollow nanospheres integrate the adsorbate evolution mechanism(AEM)and lattice oxygen mechanism(LOM),enabling synergistic dual catalytic pathways.Nickel modulation facilitates active species reconstruction in NiCo_(2)S_(4),enhancing lattice oxygen activity and optimizing the LOM pathway.Characterization results indicate that anode activation triggered the redox processes of metal and lattice oxygen sites,involving the formation and re-filling of oxygen vacancies.Additionally,the CoS_(2)/MoS_(2) heterostructure enhances the AEM pathway,as supported by density functional theory calculations,which demonstrate optimized adsorption of intermediates for both hydrogen evolution reaction and OER.The assembled anion exchange membrane water splitting device can deliver a catalytic current of 500 mA cm^(-2) at 1.74 V under commercial catalytic operating conditions(1 mol L^(-1) KOH)for 150 h,with negligible degradation.This work provides important insights into the understanding of OER mechanisms and the design of high-performance water-splitting electrocatalysts,while also opening new avenues for developing multifunctional materials with multi-shell structures. 展开更多
关键词 adsorbate evolution mechanism Lattice oxygen mechanism WATER-SPLITTING ZIF-67 NiCo_(2)S_(4)@CoS_(2)/MoS_(2) Dual-shell hollow nanospheres
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Highly exposed PtPdTe alloy planting with oxyphilic Cu single sites boosting durable multiple alcohol oxidation electrocatalysis
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作者 Rong Qin Chao Ma +7 位作者 Junyao Wu Guanzhen Chen Jie Wang Yu Xiong Shuwen Niu Tao Gan Ziyun Wang Yunhu Han 《Journal of Energy Chemistry》 2025年第5期609-617,共9页
Platinum group alloys have an excellent electronic structure for oxidation of alcohols,but the active sites are more susceptible to deactivation by CO adsorbates(CO_(ads)).The precise integration of single-atom and al... Platinum group alloys have an excellent electronic structure for oxidation of alcohols,but the active sites are more susceptible to deactivation by CO adsorbates(CO_(ads)).The precise integration of single-atom and alloy structures is highly attractive for energy conversion but still a challenge.Here,we report an ionexchange coupled in situ reduction strategy to fabricate hollow PtPdTe alloy nanoreactors loaded with atomically dispersed Cu sites(Cu_(SA)/h-PtPdTe NRs).The planted oxyphilic Cu single sites and resulted compressive strains are conductive to modulating the electronic structure of the active sites,which changes the rate-determining step of the reaction while inhibiting the formation of CO_(ads)and modulating the adsorption of intermediates,resulting in the improved activity and stability.Specifically,the obtained Cu_(SA)/h-PtPdTe NRs exhibit an excellent oxidation performance of multiple alcohols,especially for methanol and ethanol,with 8.0 and 10.3 times of the mass activity higher than Pt/C,and the activity could be recovered by refreshing the electrolyte and could be sustained for 72,000 and 36,000 s,respectively.Meanwhile,Cu_(SA)/h-PtPdTe NRs show superior oxidation performance and durability to ethylene glycol and glycerol.This work pioneers the realization of precise modulation of catalytic sites using single atoms and provides an encouraging pathway for the design of efficient and stable electrocatalysts for the oxidation of multiple alcohols,which could broaden the range of options and sources of fuel cells. 展开更多
关键词 Single-atom Cu modification Hollow alloy Lattice distortion Oxidation reaction of multiple alcohols CO adsorbates toxicity
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Preparation of porous MgO/ZrO_(2)-supported amine-based adsorbents and their application in CO_(2)capture 被引量:1
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作者 SHI Guoliang ZHANG Xinying +1 位作者 LI Xiaolan HOU Chunyue 《燃料化学学报(中英文)》 北大核心 2025年第6期935-942,共8页
Currently,the solid adsorbents with porous structure have been widely applied in CO_(2)capture.However,the unmodified MgO-ZrO_(2)adsorbents appeared to be low adsorption capacity of CO_(2).The solid adsorbent material... Currently,the solid adsorbents with porous structure have been widely applied in CO_(2)capture.However,the unmodified MgO-ZrO_(2)adsorbents appeared to be low adsorption capacity of CO_(2).The solid adsorbent materials were successfully synthesized by loading TEPA onto the pore MgO/ZrO_(2)carriers in the paper.The pore structure and surface characteristic of the samples were analyzed by using XRD,BET,FT-IR and SEM.The adsorbent materials exhibited microcrystalline state,and the crystallinity of all samples gradually decreased as the increase of TEPA content.The pore structure analysis indicated that the modification of MgO-ZrO_(2)adsorbents with TEPA led to the decrease of the specific surface areas,but the narrow micro-mesopore size distributions ranging from 1.8-12 nm in the adsorbents still were maintained.FT-IR spectrum results further verified the successful loading of TEPA.The adsorption capacity of the adsorbents for CO_(2)were tested by using an adsorption apparatus equipped with gas chromatography.The results indicated that when the TEPA loading reached 50%,the sample exhibited the maximum adsorption value for CO_(2),reaching 4.07 mmol/g under the operation condition of 75℃and atmospheric pressure.This result could be assigned to not only the base active sites but also the coexistence of both micropore and mesopore in the adsorbent.After three cycles tests for CO_(2)capture,the adsorption value of the sample for CO_(2)can also reached 95%of its original adsorption capacity,which verified the excellent cyclic operation stability. 展开更多
关键词 CO_(2)capture amine-based adsorbent impregnation micro-mesopore adsorption
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