期刊文献+
共找到228,249篇文章
< 1 2 250 >
每页显示 20 50 100
Few-layered hexagonal boron nitride nanosheets stabilized Pt NPs for oxidation promoted adsorptive desulfurization of fuel oil
1
作者 Peiwen Wu Xin Song +9 位作者 Linlin Chen Lianwen He Yingcheng Wu Duanjian Tao Jing He Chang Deng Linjie Lu Yanhong Chao Mingqing Hua Wenshuai Zhu 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第3期495-506,共12页
A few-layered hexagonal boron nitride nanosheets stabilized platinum nanoparticles(Pt/h-BNNS)is engineered for oxidation-promoted adsorptive desulfurization(OPADS)of fuel oil.It was found that the few-layered structur... A few-layered hexagonal boron nitride nanosheets stabilized platinum nanoparticles(Pt/h-BNNS)is engineered for oxidation-promoted adsorptive desulfurization(OPADS)of fuel oil.It was found that the few-layered structure and the defective sites of h-BNNS not only are beneficial to the stabilization of Pt NPs but also favor the adsorption of aromatic sulfides.By employing Pt/h-BNNS with a Pt loading amount of 1.19 wt%as the active adsorbent and air as an oxidant,a 98.0%sulfur removal over dibenzothiophene(DBT)is achieved along with a total conversion of the DBT to the corresponding sulfones(DBTO_(2)).Detailed experiments show that the excellent desulfurization activity originates from the few-layered structure of h-BNNS and the high catalytic activity of Pt NPs.In addition,the OPADS system with Pt/h-BNNS as the active adsorbent shows remarkable stability in desulfurization performance with the existence of different interferents such as olefin,and aromatic hydrocarbons.Besides,the Pt/h-BNNS can be recycled 12 times without a significant decrease in desulfurization performance.Also,a process flow diagram is proposed for deep desulfurization of fuel oil and recovery of high value-added products,which would promote the industrial application of such OPADS strategy. 展开更多
关键词 DESULFURIZATION adsorption Catalytic oxidation Active adsorbent DIBENZOTHIOPHENE
下载PDF
An active learning workflow for predicting hydrogen atom adsorption energies on binary oxides based on local electronic transfer features
2
作者 Wenhao Jing Zihao Jiao +2 位作者 Mengmeng Song Ya Liu Liejin Guo 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第10期1489-1496,共8页
Machine learning combined with density functional theory(DFT)enables rapid exploration of catalyst descriptors space such as adsorption energy,facilitating rapid and effective catalyst screening.However,there is still... Machine learning combined with density functional theory(DFT)enables rapid exploration of catalyst descriptors space such as adsorption energy,facilitating rapid and effective catalyst screening.However,there is still a lack of models for predicting adsorption energies on oxides,due to the complexity of elemental species and the ambiguous coordination environment.This work proposes an active learning workflow(LeNN)founded on local electronic transfer features(e)and the principle of coordinate rotation invariance.By accurately characterizing the electron transfer to adsorption site atoms and their surrounding geometric structures,LeNN mitigates abrupt feature changes due to different element types and clarifies coordination environments.As a result,it enables the prediction of^(*)H adsorption energy on binary oxide surfaces with a mean absolute error(MAE)below 0.18 eV.Moreover,we incorporate local coverage(θ_(l))and leverage neutral network ensemble to establish an active learning workflow,attaining a prediction MAE below 0.2 eV for 5419 multi-^(*)H adsorption structures.These findings validate the universality and capability of the proposed features in predicting^(*)H adsorption energy on binary oxide surfaces. 展开更多
关键词 Machine learning adsorption energy Binary oxide Electron transfer Active learning
下载PDF
Revealing the correlation between adsorption energy and activation energy to predict the catalytic activity of metal oxides for HMX using DFT
3
作者 Xiurong Yang Chi Zhang +6 位作者 Wujing Jin Zhaoqi Guo Hongxu Gao Shiyao Niu Fengqi Zhao Bo Liu Haixia Ma 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期262-270,共9页
Traditional selection of combustion catalysis is time-consuming and labor-intensive.Theoretical calculation is expected to resolve this problem.The adsorption energy of HMX and O atoms on 13 metal oxides was calculate... Traditional selection of combustion catalysis is time-consuming and labor-intensive.Theoretical calculation is expected to resolve this problem.The adsorption energy of HMX and O atoms on 13 metal oxides was calculated using DMol3,since HMX and O are key substances in decomposition process.And the relationship between the adsorption energy of HMX,O on metal oxides(TiO_(2),Al_(2)O_(3),PbO,CuO,Fe_(2)O_(3),Co_(3)O_(4),Bi_(2)O_(3),NiO)and experimental T30 values(time required for the decomposition depth of HMX to reach 30%)was depicted as volcano plot.Thus,the T30 values of other metal oxides was predicted based on their adsorption energy on volcano plot and validated by previous experimental data.Further,the adsorption energy of HMX on ZrO_(2)and MnO_(2)was predicted based on the linear relationship between surface energy and adsorption energy,and T30 values were estimated based on volcano plot.The apparent activation energy data of HMX/MgO,HMX/SnO_(2),HMX/ZrO_(2),and HMX/MnO_(2)obtained from DSC experiments are basically consistent with our predicted T30 values,indicating that it is feasible to predict the catalytic activity based on the adsorption calculation,and it is expected that these simple structural properties can predict adsorption energy to reduce the large quantities of computation and experiment cost. 展开更多
关键词 Density functional theory HMX Metal oxides adsorption energy Activation energy
下载PDF
Effect of Elastic Strains on Adsorption Energies of C,H and O on Transition Metal Oxides
4
作者 XIE Tian SONG Erhong 《无机材料学报》 SCIE EI CAS CSCD 北大核心 2024年第11期1292-1302,共11页
Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TM... Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TMOs)are regarded as potential substitutes for PGMs because of their stability in oxidizing environments and excellent catalytic performance.In this study,comprehensive investigation into the influence of elastic strains on the adsorption energies of carbon(C),hydrogen(H)and oxygen(O)on TMOs was conducted.Based on density functional theory(DFT)calculations,these effects in both tetragonal structures(PtO_(2),PdO_(2))and hexagonal structures(ZnO,CdO),along with their respective transition metals were systematically explored.It was identified that the optimal adsorption sites on metal oxides pinpointed the top of oxygen or the top of metal atom,while face-centered cubic(FCC)and hexagonal close-packed(HCP)holes were preferred for the transition metals.Furthermore,under the influence of elastic strains,the results demonstrated significant disparities in the adsorption energies of H and O between oxides and transition metals.Despite these differences,the effect of elastic strains on the adsorption energies of C,H and O on TMOs mirrored those on transition metals:adsorption energies increased under compressive strains,indicating weaker adsorption,and decreased under tension strains,indicating stronger adsorption.This behavior was rationalized based on the d-band model for adsorption atop a metallic atom or the p-band model for adsorption atop an oxygen atom.Consequently,elastic strains present a promising avenue for tailoring the catalytic properties of TMOs. 展开更多
关键词 density functional theory adsorption energy elastic strain engineering transition metal oxide CATALYST
下载PDF
Preparation of Manganese Oxide and Its Adsorption Properties
5
作者 贺跃 王海峰 +4 位作者 YANG Pan WANG Song CHEN Xiaoliang YANG Chunyuan 王家伟 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第4期1031-1040,共10页
The in-situ oxidation of manganese sulfate solution with H2O_(2),sodium hypochlorite,potassium permanganate and oxygen as oxidants was investigated by means of SEM,EDS,XRD,BET and infrared analysis,and the effects of ... The in-situ oxidation of manganese sulfate solution with H2O_(2),sodium hypochlorite,potassium permanganate and oxygen as oxidants was investigated by means of SEM,EDS,XRD,BET and infrared analysis,and the effects of different oxidants on the morphology,phase composition,surface properties and specific surface area of manganese oxides were investigated.The experimental results show that the diameter of manganese oxide particles prepared with H_(2)O_(2)is the smallest,about 50 nm,and the specific surface area is the largest,63.8764 m^(2)/g.It has the advantages of abundant surface hydroxyl groups,no introduction of other impurities and large adsorption potential.It is most suitable to be used as an oxidant for oxidizing manganese sulfate solution to prepare manganese oxide by in-situ oxidation.Nano manganese oxide prepard by H_(2)O_(2)in-situ oxidation method is used as adsorbent to adsorb cobalt and nickel impurities in manganese sulfate.When the reaction pH is 6,the reaction time is 30min and the amount of adsorbent is 1.0 g,the adsorption rates of cobalt and nickel impurities in 100ml manganese sulfate solution are 97.59%and 97.67%,respectively.The residual amounts of cobalt and nickel meet the industrial process standard of first-class products(Co,Ni w/%≤0.005)of high-purity manganese sulfate(Hg/t4823-2015)for batteries.The study plays a guiding role in the preparation and regulation of manganese oxide,and provides a new method with high efficiency,purity and adsorbent availability for the preparation of high-purity manganese sulfate solution. 展开更多
关键词 manganese oxide in situ oxidation ADSORBENT regulation mechanism PHYSICAL chemical properties
下载PDF
Insights into carbon dioxide sequestration into coal seams through coupled gas flow-adsorption-deformation modelling
6
作者 Hywel Thomas Min Chen 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第1期26-40,共15页
Injecting carbon dioxide(CO_(2))into coal seams may unlock substantial carbon sequestration potential.Since the coal acts like a carbon filter,it can preferentially absorb significant amounts of CO_(2).To explore this... Injecting carbon dioxide(CO_(2))into coal seams may unlock substantial carbon sequestration potential.Since the coal acts like a carbon filter,it can preferentially absorb significant amounts of CO_(2).To explore this further,desorption of the adsorbed gas due to pressure drop is investigated in this paper,to achieve an improved understanding of the long-term fate of injected CO_(2) during post-injection period.This paper presents a dual porosity model coupling gas flow,adsorption and geomechanics for studying coupled processes and effectiveness of CO_(2) sequestration in coals.A new adsorption?desorption model derived based on thermodynamics is incorporated,particularly,the desorption hysteresis is considered.The reliability of the proposed adsorption-desorption isotherm is examined via validation tests.It is indicated that occurrence of desorption hysteresis is attributed to the adsorption-induced pore deformation.After injection ceases,the injected gas continues to propagate further from the injection well,while the pressure in the vicinity of the injection well experiences a significant drop.Although the adsorbed gas near the well also decreases,this decrease is less compared to that in pressure because of desorption hysteresis.The unceasing spread of CO_(2) and drops of pressure and adsorbed gas depend on the degree of desorption hysteresis and heterogeneity of coals,which should be considered when designing CO_(2) sequestration into coal seams. 展开更多
关键词 CO_(2)geological storage Coal seam adsorption Desorption hysteresis
下载PDF
The Adsorption Properties of TEMPO Oxidized Cellulose against the Mixture of Methylene Blue and Rhemazol Yellow FG
7
作者 I.Putu Mahendra Kartika Dinita 《Journal of Renewable Materials》 EI CAS 2024年第8期1369-1382,共14页
TEMPO/NaOCl/NaBr treatment significantly increased the number of negative charges on the cellulose surface.Two concentrations of NaOCl,5 and 30 mmol/g of cellulose,were used in this study.The number of carboxyl groups... TEMPO/NaOCl/NaBr treatment significantly increased the number of negative charges on the cellulose surface.Two concentrations of NaOCl,5 and 30 mmol/g of cellulose,were used in this study.The number of carboxyl groups in the two cellulosic samples oxidized using TEMPO/NaOCl/NaBr was 0.5160 and 1.8461 mmol/g of cellulose,respectively.The oxidized cellulose samples treated with 5 and 30 mmol/g NaOCl exhibited higher crystallinity,at 81.15%and 80.14%,respectively,compared to untreated cellulose,which had a crystallinity of 75.95%.The pH effect indicated that the highest adsorption capacity for methylene blue was achieved under alkaline conditions(pH 9),while the highest adsorption capacity for rhemazol yellow FG was achieved under acidic conditions.The kinetic model of TEMPO-oxidized cellulose for methylene blue and rhemazol yellow FG conformed to the pseudo-second-order model.The initial concentration parameter revealed that the isotherm model for the adsorption of methylene blue and rhemazol yellow FG by TEMPO-oxidized cellulose conformed to the Langmuir model.The dye removal efficiencies for methylene blue and rhemazol yellow FG using TEMPOoxidized cellulose(30 mmol/g)were approximately 80.17%and 59.52%,respectively.These results demonstrate that TEMPO/NaOCl/NaBr-oxidized samples can effectively separate cationic and anionic dye mixtures.Furthermore,the use of TEMPO-oxidized cellulose showed good regeneration capability,maintaining more than 95%of its adsorption capacity after 8 cycles. 展开更多
关键词 CELLULOSE TEMPO oxidation cationic and anionic dyes dye separation
下载PDF
Aspen Adsorption在气体吸附过程模拟方面的应用 被引量:2
8
作者 张妍 李洪峻 +3 位作者 董志明 杨丽 程景才 杨超 《化学工业与工程》 CAS CSCD 北大核心 2024年第2期86-93,共8页
Aspen Adsorption是一款吸附模拟软件,常用于气体吸附分离过程的模拟计算,对操作条件优化、设计优化、吸附材料性能评价等方面具有一定的指导作用。简要介绍了Aspen Adsorption软件的应用、模型参数和各种衡算方程,总结了其在穿透曲线... Aspen Adsorption是一款吸附模拟软件,常用于气体吸附分离过程的模拟计算,对操作条件优化、设计优化、吸附材料性能评价等方面具有一定的指导作用。简要介绍了Aspen Adsorption软件的应用、模型参数和各种衡算方程,总结了其在穿透曲线计算方面的模拟计算和应用,归纳了利用循环控制器Cycle Organizer针对各种类型的变压吸附PSA(Pressure Swing Adsorption)和变温吸附TSA(Temperature Swing Adsorption)过程进行模拟的情况。此外,针对Aspen Adsorption与其他软件结合使用的案例也进行了简要介绍。最后对Aspen Adsorption的未来发展进行了展望。 展开更多
关键词 吸附 Aspen adsorption 模拟 应用
下载PDF
Competitive oxidation behavior of Ni-based superalloy GH4738 at extreme temperature 被引量:3
9
作者 Hui Xu Shufeng Yang +4 位作者 Enhui Wang Yunsong Liu Chunyu Guo Xinmei Hou Yanling Zhang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CSCD 2024年第1期138-145,共8页
A high thrust-to-weight ratio poses challenges to the high-temperature performance of Ni-based superalloys. The oxidation behavior of GH4738 at extreme temperatures has been investigated by isothermal and non-isotherm... A high thrust-to-weight ratio poses challenges to the high-temperature performance of Ni-based superalloys. The oxidation behavior of GH4738 at extreme temperatures has been investigated by isothermal and non-isothermal experiments. As a result of the competitive diffusion of alloying elements, the oxide scale included an outermost porous oxide layer (OOL), an inner relatively dense oxide layer (IOL), and an internal oxide zone (IOZ), depending on the temperature and time. A high temperature led to the formation of large voids at the IOL/IOZ interface. At 1200℃, the continuity of the Cr-rich oxide layer in the IOL was destroyed, and thus, spallation occurred. Extension of oxidation time contributed to the size of Al-rich oxide particles with the increase in the IOZ. Based on this finding,the oxidation kinetics of GH4738 was discussed, and the corresponding oxidation behavior at 900-1100℃ was predicted. 展开更多
关键词 Ni-based superalloy GH4738 extreme temperature competitive oxidation oxidation mechanism oxidation kinetics
下载PDF
Electrochemical anodic oxidation assisted fabrication of memristors 被引量:1
10
作者 Shuai-Bin Hua Tian Jin Xin Guo 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2024年第3期250-272,共23页
Owing to the advantages of simple structure,low power consumption and high-density integration,memristors or memristive devices are attracting increasing attention in the fields such as next generation non-volatile me... Owing to the advantages of simple structure,low power consumption and high-density integration,memristors or memristive devices are attracting increasing attention in the fields such as next generation non-volatile memories,neuromorphic computation and data encryption.However,the deposition of memristive films often requires expensive equipment,strict vacuum conditions,high energy consumption,and extended processing times.In contrast,electrochemical anodizing can produce metal oxide films quickly(e.g.10 s) under ambient conditions.By means of the anodizing technique,oxide films,oxide nanotubes,nanowires and nanodots can be fabricated to prepare memristors.Oxide film thickness,nanostructures,defect concentrations,etc,can be varied to regulate device performances by adjusting oxidation parameters such as voltage,current and time.Thus memristors fabricated by the anodic oxidation technique can achieve high device consistency,low variation,and ultrahigh yield rate.This article provides a comprehensive review of the research progress in the field of anodic oxidation assisted fabrication of memristors.Firstly,the principle of anodic oxidation is introduced;then,different types of memristors produced by anodic oxidation and their applications are presented;finally,features and challenges of anodic oxidation for memristor production are elaborated. 展开更多
关键词 anodic oxidation anodized aluminium oxide MEMRISTOR resistive switching electrical properties
下载PDF
Role of methoxy and C_(α)-based substituents in electrochemical oxidation mechanisms and bond cleavage selectivity of β-O-4 lignin model compounds 被引量:1
11
作者 Yang Zhou Qiang Zeng +3 位作者 Hongyan He Kejia Wu Fuqiao Liu Xuehui Li 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第1期114-125,共12页
In order to better understand the specific substituent effects on the electrochemical oxidation process of β-O-4 bond, a series of methoxyphenyl type β-O-4 dimer model compounds with different localized methoxyl gro... In order to better understand the specific substituent effects on the electrochemical oxidation process of β-O-4 bond, a series of methoxyphenyl type β-O-4 dimer model compounds with different localized methoxyl groups, including 2-(2-methoxyphenoxy)-1-phenylethanone, 2-(2-methoxyphenoxy)-1-phenylethanol, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanol, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanol have been selected and their electrochemical properties have been studied experimentally by cyclic voltammetry, and FT-IR spectroelectrochemistry. Combining with electrolysis products distribution analysis and density functional theory calculations, oxidation mechanisms of all six model dimers have been explored. In particular, a total effect from substituents of both para-methoxy(on the aryl ring closing to Cα) and Cα-OH on the oxidation mechanisms has been clearly observed, showing a significant selectivity on the Cα-Cβbond cleavage induced by electrochemical oxidations. 展开更多
关键词 Lignin model compounds β-O-4 dimers Electrochemical oxidation oxidation mechanisms Substituent effect
下载PDF
Analysis of CH_(4) and H_(2) Adsorption on Heterogeneous Shale Surfaces Using aMolecular Dynamics Approach 被引量:1
12
作者 Surajudeen Sikiru Hassan Soleimani +2 位作者 Amir Rostami Mohammed Falalu Hamza Lukmon Owolabi Afolabi 《Fluid Dynamics & Materials Processing》 EI 2024年第1期31-44,共14页
Determining the adsorption of shale gas on complex surfaces remains a challenge in molecular simulation studies.Difficulties essentially stem from the need to create a realistic shale structure model in terms of miner... Determining the adsorption of shale gas on complex surfaces remains a challenge in molecular simulation studies.Difficulties essentially stem from the need to create a realistic shale structure model in terms of mineral heterogeneityand multiplicity.Moreover,precise characterization of the competitive adsorption of hydrogen andmethane in shale generally requires the experimental determination of the related adsorptive capacity.In thisstudy,the adsorption of adsorbates,methane(CH_(4)),and hydrogen(H_(2))on heterogeneous shale surface modelsof Kaolinite,Orthoclase,Muscovite,Mica,C_(60),and Butane has been simulated in the frame of a moleculardynamic’s numerical technique.The results show that these behaviors are influenced by pressure and potentialenergy.On increasing the pressure from 500 to 2000 psi,the sorption effect for CH_(4)significantly increasesbut shows a decline at a certain stage(if compared to H_(2)).The research findings also indicate that raw shalehas a higher capacity to adsorb CH_(4)compared to hydrogen.However,in shale,this difference is negligible. 展开更多
关键词 Shale gas adsorption METHANE hydrogen molecular dynamic SORPTION
下载PDF
Electron-distribution control via Pt/NC and MoC/NC dual junction:Boosted hydrogen electro-oxidation and theoretical study 被引量:1
13
作者 Feng Zhou Xiaofeng Ke +8 位作者 Yihuang Chen Mei Zhao Yun Yang Youqing Dong Chao Zou Xi’an Chen Huile Jin Lijie Zhang Shun Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期513-520,I0011,共9页
The scarcity,high cost and susceptibility to CO of Platinum severely restrict its application in alkaline hydrogen oxidation reaction(HOR).Hybridizing Pt with other transition metals provides an effective strategy to ... The scarcity,high cost and susceptibility to CO of Platinum severely restrict its application in alkaline hydrogen oxidation reaction(HOR).Hybridizing Pt with other transition metals provides an effective strategy to modulate its catalytic HOR performance,but at the cost of mass activity due to the coverage of modifiers on Pt surface.Herein,we constructed dual junctions'Pt/nitrogen-doped carbon(Pt/NC)andδ-MoC/NC to modify electronic structure of Pt via interfacial electron transfer to acquire Pt-MoC@NC catalyst with electron-deficient Pt nanoparticles,simultaneously endowing it with high mass activity and durability of alkaline HOR.Moreover,the unique structure of Pt-MoC@NC endows Pt with a high COtolerance at 1,000 ppm CO/H_(2),a quality that commercial Pt-C catalyst lacks.The theoretical calculations not only confirm the diffusion of electrons from Pt/NC to Mo C/NC could occur,but also demonstrate the negative shift of Pt d-band center for the optimized binding energies of*H,*OH and CO. 展开更多
关键词 Hydrogen oxidation reaction Dual junctions CO-tolerance PLATINUM
下载PDF
Trace Cobalt Doping and Defect Engineering of High Surface Area α-Ni(OH)_(2) for Electrocatalytic Urea Oxidation 被引量:1
14
作者 Yi Liu Zhihui Yang +2 位作者 Yuqin Zou Shuangyin Wang Junying He 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第2期111-118,共8页
Owing to the intrinsically sluggish kinetics of urea oxidation reaction(UOR)involving a six-electron transfer process,developing efficient UOR electrocatalyst is a great challenge remained to be overwhelmed.Herein,by ... Owing to the intrinsically sluggish kinetics of urea oxidation reaction(UOR)involving a six-electron transfer process,developing efficient UOR electrocatalyst is a great challenge remained to be overwhelmed.Herein,by taking advantage of 2-Methylimidazole,of which is a kind of alkali in water and owns strong coordination ability to Co^(2+)in methanol,trace Co(1.0 mol%)addition was found to induce defect engineering onα-Ni(OH)_(2)in a dual-solvent system of water and methanol.Physical characterization results revealed that the synthesized electrocatalyst(WM-Ni_(0.99)Co_(0.01)(OH)_(2))was a kind of defective nanosheet with thickness around 5-6 nm,attributing to the synergistic effect of Co doping and defect engineering,its electron structure was finely altered,and its specific surface a rea was tremendously enlarged from 68 to 172.3 m^(2)g^(-1).With all these merits,its overpotential to drive 10 mA cm^(-2)was reduced by 110 mV.Besides,the interfacial behavior of UOR was also well deciphered by operando electrochemical impedance spectroscopy. 展开更多
关键词 defect engineering ELECTROCATALYSIS small molecule oxidation
下载PDF
Microwave-assisted exploration of the electron configuration-dependent electrocatalytic urea oxidation activity of 2D porous NiCo_(2)O_(4) spinel 被引量:1
15
作者 Jun Wan Zhiao Wu +11 位作者 Guangyu Fang Jinglin Xian Jiao Dai Jiayue Guo Qingxiang Li Yongfei You Kaisi Liu Huimin Yu Weilin Xu Huiyu Jiang Minggui Xia Huanyu Jin 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期226-235,共10页
Urea holds promise as an alternative water-oxidation substrate in electrolytic cells.High-valence nickelbased spinel,especially after heteroatom doping,excels in urea oxidation reactions(UOR).However,traditional spine... Urea holds promise as an alternative water-oxidation substrate in electrolytic cells.High-valence nickelbased spinel,especially after heteroatom doping,excels in urea oxidation reactions(UOR).However,traditional spinel synthesis methods with prolonged high-temperature reactions lack kinetic precision,hindering the balance between controlled doping and highly active two-dimensional(2D)porous structures design.This significantly impedes the identification of electron configuration-dependent active sites in doped 2D nickel-based spinels.Herein,we present a microwave shock method for the preparation of 2D porous NiCo_(2)O_(4)spinel.Utilizing the transient on-off property of microwave pulses for precise heteroatom doping and 2D porous structural design,non-metal doping(boron,phosphorus,and sulfur)with distinct extranuclear electron disparities serves as straightforward examples for investigation.Precise tuning of lattice parameter reveals the impact of covalent bond strength on NiCo_(2)O_(4)structural stability.The introduced defect levels induce unpaired d-electrons in transition metals,enhancing the adsorption of electron-donating amino groups in urea molecules.Simultaneously,Bode plots confirm the impact mechanism of rapid electron migration caused by reduced band gaps on UOR activity.The prepared phosphorus-doped 2D porous NiCo_(2)O_(4),with optimal electron configuration control,outperforms most reported spinels.This controlled modification strategy advances understanding theoretical structure-activity mechanisms of high-performance 2D spinels in UOR. 展开更多
关键词 2D materials SPINEL Microwave ELECTROCATALYSIS Urea oxidation reaction
下载PDF
Pyridinic-N doping carbon layers coupled with tensile strain of FeNi alloy for activating water and urea oxidation 被引量:1
16
作者 Guangfu Qian Wei Chen +5 位作者 Jinli Chen Li Yong Gan Tianqi Yu Miaojing Pan Xiaoyan Zhuo Shibin Yin 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第4期684-694,共11页
Exploitation of oxygen evolution reaction(OER)and urea oxidation reaction(UOR)catalysts with high activity and stability at large current density is a major challenge for energy-saving H_(2) production in water electr... Exploitation of oxygen evolution reaction(OER)and urea oxidation reaction(UOR)catalysts with high activity and stability at large current density is a major challenge for energy-saving H_(2) production in water electrolysis.Herein,we use the pyridinic-N doping carbon layers coupled with tensile strain of FeNi alloy activated by NiFe_(2)O_(4)(FeNi/NiFe_(2)O_(4)@NC)for efficiently increasing the performance of water and urea oxidation.Due to the tensile strain effect on FeNi/NiFe_(2)O_(4)@NC,it provides a favorable modulation on the electronic properties of the active center,thus enabling amazing OER(η_(100)=196 mV)and UOR(E_(10)=1.32 V)intrinsic activity.Besides,the carbon-coated layers can be used as armor to prevent FeNi alloy from being corroded by the electrolyte for enhancing the OER/UOR stability at large current density,showing high industrial practicability.This work thus provides a simple way to prepare high-efficiency catalyst for activating water and urea oxidation. 展开更多
关键词 Carbon-encapsulated Tensile strain Catalyst Oxygen evolution reaction Urea oxidation reaction
下载PDF
In situ Hydrothermal Oxidation of Ternary FeCoNi Alloy Electrode for Overall Water Splitting 被引量:1
17
作者 Yuwei Chen Lixia Yang +4 位作者 Chao Li Yuqiu Wu Xiao Lν Hairen Wang Jun'e Qu 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第2期161-170,共10页
Exploring noble metal-free catalyst materials for high efficient electrochemical water splitting to produce hydrogen is strongly desired for renewable energy development.In this article,a novel bifunctional catalytic ... Exploring noble metal-free catalyst materials for high efficient electrochemical water splitting to produce hydrogen is strongly desired for renewable energy development.In this article,a novel bifunctional catalytic electrode of insitu-grown type for alkaline water splitting based on FeCoNi alloy substrate has been successfully prepared via a facile one-step hydrothermal oxidation route in an alkaline hydrogen peroxide medium.It shows that the matrix alloy with the atom ratio 4∶3∶3 of Fe∶Co∶Ni can obtain the best catalytic performance when hydrothermally treated at 180℃for 18 h in the solution containing 1.8 M hydrogen peroxide and 3.6 M sodium hydroxide.The as-prepared Fe_(0.4)Co_(0.3)Ni_(0.3)-1.8 electrode exhibits small overpotentials of only 184 and 175 mV at electrolysis current density of 10 mA cm^(-2)for alkaline OER and HER processes,respectively.The overall water splitting at electrolysis current density of 10 mA cm^(-2)can be stably delivered at a low cell voltage of 1.62 V.These characteristics including the large specific surface area,the high surface nickel content,the abundant catalyst species,the balanced distribution between bivalent and trivalent metal ions,and the strong binding of in-situ naturally growed catalytic layer to matrix are responsible for the prominent catalytic performance of the Fe_(0.4)Co_(0.3)Ni_(0.3)-1.8 electrode,which can act as a possible replacement for expensive noble metal-based materials. 展开更多
关键词 alkaline water electrolysis bifunctional electrocatalyst FeCoNi alloy hydrothermal oxidation in-situ growing
下载PDF
Corrosion-Resistant Polymer-Derived SiOC Membrane for Effective Organic Removal via Synergistic Adsorption and Peroxymonosulfate Activation
18
作者 Jiankun Ji Yarong Gu +4 位作者 Jianning Zhang Chongwen Yu Xiao Hu Yueping Bao Yujie Song 《Transactions of Tianjin University》 EI CAS 2024年第3期238-249,共12页
A major challenge is to construct ceramic membranes with tunable structures and functions for water treatment.Herein,a novel corrosion-resistant polymer-derived silicon oxycarbide(SiOC)ceramic membrane with designed a... A major challenge is to construct ceramic membranes with tunable structures and functions for water treatment.Herein,a novel corrosion-resistant polymer-derived silicon oxycarbide(SiOC)ceramic membrane with designed architectures was fabricated by a phase separation method and was applied in organic removal via adsorption and oxidation for the first time.The pore structure of the as-prepared SiOC ceramic membranes was well controlled by changing the sintering temperature and polydimethylsiloxane content,leading to a pore size of 0.84–1.62μm and porosity of 25.0–43.8%.Corrosion resistance test results showed that the SiOC membranes sustained minimal damage during 24 h exposure to high-intensity acid–base conditions,which could be attributed to the chemical inertness of SiOC.With rhodamine 6G(R6G)as the model pollutant,the SiOC membrane demonstrated an initial eff ective removal rate of 99%via adsorption;however,the removal rate decreased as the system approached adsorption saturation.When peroxymonosulfate was added into the system,efficient and continuous degradation of R6G was observed throughout the entire period,indicating the potential of the as-prepared SiOC membrane in oxidation-related processes.Thus,this work provides new insights into the construction of novel polymer-derived ceramic membranes with well-defined structures and functions. 展开更多
关键词 Polymer-derived ceramics MEMBRANE Corrosion resistance adsorption oxidation
下载PDF
Enhancing hydrogen evolution and oxidation kinetics through oxygen insertion into nickel lattice
19
作者 Wanli Liang Xiyu Gong +9 位作者 Jinchang Xu Zixuan Dan Fanyan Xie Hulei Yu Hao-Fan Wang Yanshuo Jin Hongjuan Wang Yonghai Cao Hui Meng Hao Yu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第8期529-539,I0012,共12页
Nickel-based materials,including metallic Ni and Ni oxide,have been widely studied in the exploration of non-precious-metal hydrogen electrocatalysts,but neither pure Ni nor NiO is ideal for the hydrogen evolution rea... Nickel-based materials,including metallic Ni and Ni oxide,have been widely studied in the exploration of non-precious-metal hydrogen electrocatalysts,but neither pure Ni nor NiO is ideal for the hydrogen evolution reaction(HER)and hydrogen oxidation reaction(HOR).In this paper,an oxygen insertion strategy was applied on nickel to regulate its hydrogen electrocatalytic performance,and the oxygen-inserted nickel catalyst was successfully obtained with the assistance of tungsten dioxide support(denoted as O-Ni/WO_(2)).The partial insertion of oxygen in Ni maintains the face-centered cubic arrangement of Ni atoms,simultaneously expanding the lattice and increasing the lattice spacing.Consequently,the adsorption strength of^(*)H and^(*)OH on Ni is optimized,thus resulting in superior electrocatalytic performance of0-Ni/WO_(2)in alkaline HER/HOR.The Tafel slope of O-Ni/WO_(2)@NF for HER is 56 mV dec^(-1),and the kinetic current density of O-Ni/WO_(2)for HOR reaches 4.85 mA cm^(-2),which is ahead of most currently reported catalysts.Our proposed strategy of inserting an appropriate amount of anions into the metal lattice could provide more possibilities for the design of high-performance catalysts. 展开更多
关键词 Hydrogen evolution Hydrogen oxidation NICKEL Oxygen insertion adsorption free energy
下载PDF
Effect of Ti and Ta content on the oxidation resistance of Co-Ni-based superalloys 被引量:1
20
作者 Yuheng Zhang Zixin Li +2 位作者 Yunwei Gui Huadong Fu Jianxin Xie 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第2期351-361,共11页
Co-Ni-based superalloys are known for their capability to function at elevated temperatures and superior hot corrosion and thermal fatigue resistance.Therefore,these alloys show potential as crucial high-temperature s... Co-Ni-based superalloys are known for their capability to function at elevated temperatures and superior hot corrosion and thermal fatigue resistance.Therefore,these alloys show potential as crucial high-temperature structural materials for aeroengine and gas turbine hot-end components.Our previous work elucidated the influence of Ti and Ta on the high-temperature mechanical properties of alloys.However,the intricate interaction among elements considerably affects the oxidation resistance of alloys.In this paper,Co-35Ni-10Al-2W-5Cr-2Mo-1Nb-xTi-(5−x)Ta alloys(x=1,2,3,4)with varying Ti and Ta contents were designed and compounded,and their oxidation resistance was investigated at the temperature range from 800 to 1000℃.After oxidation at three test conditions,namely,800℃for 200 h,900℃for 200 h,and 1000℃for 50 h,the main structure of the oxide layer of the alloy consisted of spinel,Cr_(2)O_(3),and Al_(2)O_(3)from outside to inside.Oxides consisting of Ta,W,and Mo formed below the Cr_(2)O_(3)layer.The interaction of Ti and Ta imparted the highest oxidation resistance to 3Ti2Ta alloy.Conversely,an excessive amount of Ti or Ta resulted in an adverse effect on the oxidation resistance of the alloys.This study reports the volatilization of W and Mo oxides during the oxidation process of Co-Ni-based cast superalloys with a high Al content for the first time and explains the formation mechanism of holes in the oxide layer.The results provide a basis for gaining insights into the effects of the interaction of alloying elements on the oxidation resistance of the alloys they form. 展开更多
关键词 Co-Ni-based superalloys high-temperature oxidation Ti and Ta elements formation mechanism of holes
下载PDF
上一页 1 2 250 下一页 到第
使用帮助 返回顶部