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Co-doped BaFe_(2)As_(2) Josephson junction fabricated with a focused helium ion beam 被引量:1
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作者 陈紫雯 张焱 +6 位作者 马平 徐中堂 李宇龙 王越 路建明 马衍伟 甘子钊 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期181-186,共6页
Josephson junction plays a key role not only in studying the basic physics of unconventional iron-based superconductors but also in realizing practical application of thin-film based devices,therefore the preparation ... Josephson junction plays a key role not only in studying the basic physics of unconventional iron-based superconductors but also in realizing practical application of thin-film based devices,therefore the preparation of high-quality iron pnictide Josephson junctions is of great importance.In this work,we have successfully fabricated Josephson junctions from Co-doped BaFe_(2)As_(2)thin films using a direct junction fabrication technique which utilizes high energy focused helium ion beam(FHIB).The electrical transport properties were investigated for junctions fabricated with various He^(+)irradiation doses.The junctions show sharp superconducting transition around 24 K with a narrow transition width of 2.5 K,and a dose correlated foot-structure resistance which corresponds to the effective tuning of junction properties by He^(+)irradiation.Significant J_c suppression by more than two orders of magnitude can be achieved by increasing the He^(+)irradiation dose,which is advantageous for the realization of low noise ion pnictide thin film devices.Clear Shapiro steps are observed under 10 GHz microwave irradiation.The above results demonstrate the successful fabrication of high quality and controllable Co-doped BaFe_(2)As_(2)Josephson junction with high reproducibility using the FHIB technique,laying the foundation for future investigating the mechanism of iron-based superconductors,and also the further implementation in various superconducting electronic devices. 展开更多
关键词 focused helium ion beam Co doped BaFe_(2)As_(2) Josephson junction
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Neutral and metallic vs.charged and semiconducting surface layer in acceptor doped CeO_(2)
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作者 Ilan Riess 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第4期795-802,共8页
The monomolecular surface layer of acceptor doped CeO_(2) may become neutral and metallic or charged and semiconducting.This is revealed in the theoretical analysis of the oxygen pressure dependence of the surface def... The monomolecular surface layer of acceptor doped CeO_(2) may become neutral and metallic or charged and semiconducting.This is revealed in the theoretical analysis of the oxygen pressure dependence of the surface defects concentration in acceptor doped ceria with two different dopant types and operated under different oxygen pressures.Recently published experimental data for highly reduced Sm0.2Ce0.8O1.9-x(SDC)containing a fixed valence dopant Sm3+are very different from those published for Pr0.1Ce0.9O_(2)-x(PCO) with the variable valence dopant Pr4+/Pr3+being reduced under milder conditions.The theoretical analysis of these experimental results fits very well the experimental results of SDC and PCO.It leads to the following predictions:the highly reduced surface of SDC is metallic and neutral,the metallic surface electron density of state is gs=0.9×10^(38)J-1·m^(-2)(1.4×1015eV^(-1)·cm^(-2)),the electron effective mass is meff,s=3.3me,and the phase diagram of the reduced surface has theα(fcc)structure as in the bulk.In PCO a double layer is predicted to be formed between the surface and the bulk with the surface being negatively charged and semiconducting.The surface of PCO maintains high Pr^(3+) defect concentration as well as relative high oxygen vacancy concentration at oxygen pressures higher than in the bulk.The reasons for the difference between a metallic and semiconducting surface layer of acceptor doped CeO_(2) are reviewed,as well as the key theoretical considerations applied in coping with this problem.For that we make use of the experimental data and theoretical analysis available for acceptor doped ceria. 展开更多
关键词 CeO_(2) surface defects metallic surface oxide reduction Sm doped CeO_(2) Pr doped CeO_(2)
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Durable hierarchical phosphorus‐doped biphase MoS_(2)electrocatalysts with enhanced H^(*)adsorption
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作者 Yongteng Qian Jianmin Yu +4 位作者 Zhiyi Lyu Qianwen Zhang Tae Hyeong Lee Huan Pang Dae Joon Kang 《Carbon Energy》 SCIE EI CAS CSCD 2024年第4期104-114,共11页
Phase engineering is an efficient strategy for enhancing the kinetics of electrocatalytic reactions.Herein,phase engineering was employed to prepare high‐performance phosphorous‐doped biphase(1T/2H)MoS_(2)(P‐BMS)na... Phase engineering is an efficient strategy for enhancing the kinetics of electrocatalytic reactions.Herein,phase engineering was employed to prepare high‐performance phosphorous‐doped biphase(1T/2H)MoS_(2)(P‐BMS)nanoflakes for hydrogen evolution reaction(HER).The doping of MoS_(2)with P atoms modifies its electronic structure and optimizes its electrocatalytic reaction kinetics,which significantly enhances its electrical conductivity and structural stability,which are verified by various characterization tools,including X‐ray photoelectron spectroscopy,high‐resolution transmission electron microscopy,X‐ray absorption near‐edge spectroscopy,and extended X‐ray absorption fine structure.Moreover,the hierarchically formed flakes of P‐BMS provide numerous catalytic surface‐active sites,which remarkably enhance its HER activity.The optimized P‐BMS electrocatalysts exhibit low overpotentials(60 and 72 mV at 10 mA cm^(−2))in H_(2)SO_(4)(0.5 M)and KOH(1.0 M),respectively.The mechanism of improving the HER activity of the material was systematically studied using density functional theory calculations and various electrochemical characterization techniques.This study has shown that phase engineering is a promising strategy for enhancing the H*adsorption of metal sulfides. 展开更多
关键词 1T/2H MoS_(2) density functional theory ELECTROCATALYSTS phase engineering phosphorous doping
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Unveiling the pressure-driven metal–semiconductor–metal transition in the doped TiS_(2)
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作者 陈佳骏 吕心邓 +3 位作者 李思敏 但雅倩 黄艳萍 崔田 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第6期63-67,共5页
Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands,leading to increased electrical conductivity.Here,we report the electrical properties of the doped 1T-TiS_(2) un... Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands,leading to increased electrical conductivity.Here,we report the electrical properties of the doped 1T-TiS_(2) under high pressure by electrical resistance investigations,synchrotron x-ray diffraction,Raman scattering and theoretical calculations.Up to 70 GPa,an unusual metal-semiconductor-metal transition occurs.Our first-principles calculations suggest that the observed anti-Wilson transition from metal to semiconductor at 17 GPa is due to the electron localization induced by the intercalated Ti atoms.This electron localization is attributed to the strengthened coupling between the doped Ti atoms and S atoms,and the Anderson localization arising from the disordered intercalation.At pressures exceeding 30.5 GPa,the doped TiS_(2) undergoes a re-metallization transition initiated by a crystal structure phase transition.We assign the most probable space group as P2_(1)2_(1)2_(1).Our findings suggest that materials probably will eventually undergo the Wilson transition when subjected to sufficient pressure. 展开更多
关键词 high pressure transition metal dichalcogenides doped TiS_(2) electronic phase transition
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Small but mighty:Empowering sodium/potassium-ion battery performance with S-doped SnO_(2) quantum dots embedded in N,S codoped carbon fiber network
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作者 Shengnan He Hui Wu +4 位作者 Shuang Li Ke Liu Yaxiong Yang Hongge Pan Xuebin Yu 《Carbon Energy》 SCIE EI CAS CSCD 2024年第5期186-200,共15页
SnO_(2) has been extensively investigated as an anode material for sodium-ion batteries(SIBs)and potassium-ion batteries(PIBs)due to its high Na/K storage capacity,high abundance,and low toxicity.However,the sluggish ... SnO_(2) has been extensively investigated as an anode material for sodium-ion batteries(SIBs)and potassium-ion batteries(PIBs)due to its high Na/K storage capacity,high abundance,and low toxicity.However,the sluggish reaction kinetics,low electronic conductivity,and large volume changes during charge and discharge hinder the practical applications of SnO_(2)-based electrodes for SIBs and PIBs.Engineering rational structures with fast charge/ion transfer and robust stability is important to overcoming these challenges.Herein,S-doped SnO_(2)(S-SnO_(2))quantum dots(QDs)(≈3 nm)encapsulated in an N,S codoped carbon fiber networks(S-SnO_(2)-CFN)are rationally fabricated using a sequential freeze-drying,calcination,and S-doping strategy.Experimental analysis and density functional theory calculations reveal that the integration of S-SnO_(2) QDs with N,S codoped carbon fiber network remarkably decreases the adsorption energies of Na/K atoms in the interlayer of SnO_(2)-CFN,and the S doping can increase the conductivity of SnO_(2),thereby enhancing the ion transfer kinetics.The synergistic interaction between S-SnO_(2) QDs and N,S codoped carbon fiber network results in a composite with fast Na+/K+storage and extraordinary long-term cyclability.Specifically,the S-SnO_(2)-CFN delivers high rate capacities of 141.0 mAh g^(−1) at 20 A g^(−1) in SIBs and 102.8 mAh g^(−1) at 10 A g^(−1) in PIBs.Impressively,it delivers ultra-stable sodium storage up to 10,000 cycles at 5 A g^(−1) and potassium storage up to 5000 cycles at 2 A g^(−1).This study provides insights into constructing metal oxide-based carbon fiber network structures for high-performance electrochemical energy storage and conversion devices. 展开更多
关键词 carbon fiber network heteroatom doping potassium-ion battery sodium-ion battery S-SnO_(2)quantum dot
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Mg-doped SrTaO_(2)N as a visible-light-driven H_(2)-evolution photocatalyst for accelerated Z-scheme overall water splitting
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作者 Jun Xu Ying Luo +4 位作者 Qiaoqi Guo Wenzheng Sun Shanshan Chen Zheng Wang Hong He 《Chinese Journal of Catalysis》 SCIE CAS CSCD 2024年第10期70-78,共9页
Perovskite SrTaO_(2)N is one of the most promising narrow-bandgap photocatalysts for Z-scheme overall water splitting.However,the formation of defect states during thermal nitridation severely hinders the separation o... Perovskite SrTaO_(2)N is one of the most promising narrow-bandgap photocatalysts for Z-scheme overall water splitting.However,the formation of defect states during thermal nitridation severely hinders the separation of charges,resulting in poor photocatalytic activity.In the present study,we successfully synthesize SrTaO_(2)N photocatalyst with low density of defect states,uniform morphology and particle size by flux-assisted one-pot nitridation combined with Mg doping.Some important parameters,such as the size of unit cell,the content of nitrogen,and microstructure,prove the successful doping of Mg.The defect-related carrier recombination has been significantly reduced by Mg doping,which effectively promotes the charge separation.Moreover,Mg doping induces a change of the band edge,which makes proton reduction have a stronger driving force.After modifying with the core/shell-structured Pt/Cr_(2)O_(3)cocatalyst,the H_(2)evolution activity of the optimized SrTaO_(2)N:Mg is 10 times that of the undoped SrTaO_(2)N,with an impressive apparent quantum yield of 1.51%at 420 nm.By coupling with Au-FeCoO_(x)modified BiVO_(4)as an O_(2)-evolution photocatalyst and[Fe(CN)_(6)]_(3)−/[Fe(CN)_(6)]_(4)−as the redox couple,a redox-based Z-scheme overall water splitting system is successfully constructed with an apparent quantum yield of 1.36%at 420 nm.This work provides an alternative way to prepare oxynitride semiconductors with reduced defects to promote the conversion of solar energy. 展开更多
关键词 Photocatalytic overall water splitting SrTaO_(2)N photocatalyst Mg doping Defect density COCATALYST
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Synthesis of M(M=Co^2+,Co^2+/Ni^2+)-doped FeS2 Nanospheres with Enhanced Visible-light-induced Photocatalytic Activity
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作者 王燕舞 张学洪 +3 位作者 JI Yuchun ZHENG Guoyuan 王吉林 LONG Fei 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2018年第4期802-811,共10页
Nano-spherical Co^(2+)-doped FeS_2 was synthesized through a simple solvothermal method. The products were investigated using XRD, FE-SEM, BET, ICP, EDS, TEM, HRTEM, XPS, and UV-vis spectroscopy. The results indica... Nano-spherical Co^(2+)-doped FeS_2 was synthesized through a simple solvothermal method. The products were investigated using XRD, FE-SEM, BET, ICP, EDS, TEM, HRTEM, XPS, and UV-vis spectroscopy. The results indicated that Co^(2+) ion could change the particle nucleation process and inhibited the particle growth of FeS_2. In addition, when the content of doped Co^(2+) was 15%, the degradation efficiency of methylene blue(MB) achieved 60.72% after 210 min irradiation, which increased by 52.01% than that of the undoped FeS_2. Moreover, comparison experiments also demonstrated that the M(M=Co^2+,Co^2+/Ni^2+)-doped FeS_2 photocatalytic activity efficiency sequence was Co^(2+) 〉 Ni^(2+)〉Co^(2+)/Ni^(2+). This is ascribed to the fact that the Co^(2+) doping could induce the absorption edge shifting into the visible-light region and increased the surface area of the samples. The effect mechanisms of M-doping on the band gap and the photocatalytic activity of FeS_2 were also discussed. 展开更多
关键词 FeS2 solvothermal method doping photocatalytic methylene blue
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Transmission Properties of a New Glass Ceramic and Doped with Co^(2+) as Saturable Absorber for 1.54 μm Er Glass Short Pulse Laser
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作者 YU Chunlei CHEN Li +3 位作者 FENG Suya HE Dongbing WANG Meng HU Lili 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2012年第1期54-57,共4页
The preparation and characteristics of a new transparent glass ceramic were described. Crystal phase particles with nanometer size were successfully precipitated in glass matrix, which was confirmed to be one of indiu... The preparation and characteristics of a new transparent glass ceramic were described. Crystal phase particles with nanometer size were successfully precipitated in glass matrix, which was confirmed to be one of indium aluminum zinc oxide compounds (InxAlrZn2O). The presence of aluminum (A1) and indium (In) impurities in the zinc oxides (ZnO) crystal lattice leads to some changes of the carrier concentration in the material and then promote the sharply changes of transmission spectra in IR range wavelength. And subsequently, the IR cut-off edge blue shifted from 5.5 pm in base glass to 3 μm in transparent glass ceramic sample. Furthermore, passive Q switched 1.54 ktm Er glass laser pulses with pulse energy of 10 mJ and pulse width of 800 ns were successfully obtained by using the cobalt doped transparent glass ceramic as a saturable absorber. 展开更多
关键词 GLASS-CERAMICS infrared transmission Co2 doped saturable absorber Er glass laser
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Microstructure and magnetic properties of Ni-Zn ferrites doped with MnO_2 被引量:2
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作者 苏桦 张怀武 +1 位作者 唐晓莉 荆玉兰 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2011年第1期109-113,共5页
To improve the performance of Ni-Zn ferrites for power field use,the influence of MnO2 additive on the properties of Ni-Zn ferrites was investigated by the conventional powder metallurgy.The results show that MnO2 doe... To improve the performance of Ni-Zn ferrites for power field use,the influence of MnO2 additive on the properties of Ni-Zn ferrites was investigated by the conventional powder metallurgy.The results show that MnO2 does not form a visible second phase in the doping mass fraction range of(0-2.0%).The average grain size,sintering density and real permeability gradually decrease with the increase of the MnO2 content.And the DC resistivity continuously increases with the increase of MnO2 content.The saturation magnetization(magnetic moment in unit mass) first increases slightly when mass fraction of MnO2 is less than 0.4% MnO2,and then gradually decreases with increasing the MnO2 mass fraction due to the exchange interaction of the cations.When the excitation frequency is less than 1 MHz,the power loss(Pcv) continuously increases with increasing the MnO2 content due to the decrease of average grain size.However,when the excitation frequency exceeds 1 MHz,eddy current loss gradually becomes the predominant contribution to Pcv.And the sample with a higher resistivity favors a lower Pcv,except for the sample with 2.0% MnO2.The sample without additive has the best Pcv when worked at frequencies less than 1 MHz;and the sample with 1.6% MnO2 additive has the best Pcv when worked at frequencies higher than 1 MHz. 展开更多
关键词 Ni-Zn ferrite MNO2 DOPING magnetic properties
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Co^(2+)掺杂W型铁氧体的制备和吸波性能研究
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作者 张晶 徐利华 +3 位作者 徐家成 王舜 张晨韵 黄春娥 《非金属矿》 2024年第6期38-41,共4页
为解决单一铁氧体吸波材料吸波频带窄的问题,采用固相法制备了Co^(2+)掺杂的W型钡铁氧体Ba(Zn_(1-x)Co_(x))_(2)Fe_(16)O_(27)(x=0、0.2、0.4、0.6、0.8、1.0)铁氧体,研究了Co^(2+)掺杂对W型钡铁氧体晶体结构、微观形貌、电磁性能和吸... 为解决单一铁氧体吸波材料吸波频带窄的问题,采用固相法制备了Co^(2+)掺杂的W型钡铁氧体Ba(Zn_(1-x)Co_(x))_(2)Fe_(16)O_(27)(x=0、0.2、0.4、0.6、0.8、1.0)铁氧体,研究了Co^(2+)掺杂对W型钡铁氧体晶体结构、微观形貌、电磁性能和吸收性能的影响。结果表明,随着Co^(2+)掺杂量的增加,铁氧体晶体结构保持不变,掺杂Co^(2+)的W型钡铁氧体具有六角片状结构。随着金属离子的加入,粒径有不同程度减小。当Co^(2+)掺杂的摩尔分数x为0.4时,铁氧体的磁损耗最高。含量为70%的Ba(Zn_(0.6)Co_(0.4))2Fe_(16)O_(27)铁氧体吸收涂层的最大反射损耗为-22 dB,峰值位置在12.5 GHz,反射损耗RL<-10 dB的带宽约为8 GHz(8~16 GHz),实现了宽频带强吸收。 展开更多
关键词 吸波材料 W型铁氧体 钴掺杂 宽带吸收
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真空紫外协同Co^(2+)催化过硫酸氢钾降解罗丹明B 被引量:1
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作者 陈徐庆 唐玉朝 +4 位作者 伍昌年 黄显怀 王坤 朱先胜 陈彩虹 《环境科学研究》 CAS CSCD 北大核心 2024年第4期822-834,共13页
有机染料具有毒性强、色度高、不易降解等特性,为了高效去除有机染料,实验以真空紫外(VUV)为光源,研究了VUV协同Co^(2+)催化过硫酸氢钾(PMS)降解典型有机染料罗丹明B(RhB)的反应机制和转化途径.结果表明:①在RhB初始浓度为80 mg/L,Co^(... 有机染料具有毒性强、色度高、不易降解等特性,为了高效去除有机染料,实验以真空紫外(VUV)为光源,研究了VUV协同Co^(2+)催化过硫酸氢钾(PMS)降解典型有机染料罗丹明B(RhB)的反应机制和转化途径.结果表明:①在RhB初始浓度为80 mg/L,Co^(2+)和PMS投加量分别为15μmol/L、0.5 mmol/L的条件下,VUV/Co^(2+)/PMS体系反应10 min,RhB去除率可达99.1%.VUV/Co^(2+)/PMS体系对RhB降解遵循一级动力学规律,反应速率常数(k)随初始质量浓度的增加而减小.②溶液初始pH对反应速率有较大的影响,随着pH减小,反应速率也同时减小.投加量为30 mmol/L的HCO_(3)^(−)、Cl^(−)均表现出显著的抑制作用,相较于对照组,RhB去除率由99.1%分别降至66.0%、84.2%,而NO_(3)^(−)和SO_(4)^(2−)抑制作用不显著;印染助剂柠檬酸钠也会显著抑制RhB降解.③自由基捕获实验和电子顺磁共振(EPR)测试结果表明,VUV/Co^(2+)/PMS体系中存在的氧化物种包括硫酸根自由基(SO_(4)^(−)·)、羟基自由基(·OH)、单线态氧(1O2).④根据紫外可见吸收光谱和质谱结果,初步推断RhB分子降解主要通过活性氧(ROS)攻击造成共轭结构破坏和N-位脱乙基等作用.另外,对总有机碳(TOC)进行测试,30 min时RhB矿化度可达到43.8%.研究显示,VUV/Co^(2+)/PMS体系能够有效去除RhB. 展开更多
关键词 真空紫外 Co^(2+) 过硫酸氢钾 罗丹明B 活性氧
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Fe、Ir掺杂MoS_(2)表面对N_(2)气敏吸附与解离反应性能提升的第一性原理研究
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作者 肖香珍 胡林峰 张建伟 《原子与分子物理学报》 CAS 北大核心 2025年第1期13-19,共7页
基于第一性原理方法,采用周期性平板模型,研究了N_(2)分子在掺杂体系TM-MoS_(2)(TM=Fe、Ir)表面的吸附和解离行为.研究表明:N_(2)分子在TM-MoS_(2)(TM=Fe、Ir)表面吸附能依次为0.62和0.47 eV,而完整MoS_(2)表面的吸附能只有0.08 eV,说... 基于第一性原理方法,采用周期性平板模型,研究了N_(2)分子在掺杂体系TM-MoS_(2)(TM=Fe、Ir)表面的吸附和解离行为.研究表明:N_(2)分子在TM-MoS_(2)(TM=Fe、Ir)表面吸附能依次为0.62和0.47 eV,而完整MoS_(2)表面的吸附能只有0.08 eV,说明掺杂之后对N_(2)表现出略好的吸附性能.差分电荷密度分析表明,N_(2)吸附后,掺杂Fe、Ir原子与两个N原子之间电荷有所增加,N-N键之间的区域电荷密度减少,N-N键的强度减弱.态密度计算结果发现,N_(2)在吸附过程中,主要是N原子的2p_(y)、2p_(z)轨道与Ir的5d_(xy)和5d_(z^(2))以及Fe的3d_(xy)和3d_(z^(2))发生杂化作用.通过分析解离活化能,N_(2)在掺杂体系TM-MoS_(2)(TM=Fe、Ir)表面解离需要活化能均较高,且远大于在相应掺杂表面的吸附能,说明N_(2)在掺杂体系TM-MoS_(2)(TM=Fe、Ir)表面解离应该表现为分子吸附或脱附. 展开更多
关键词 Fe、Ir 掺杂 单层MoS_(2) N_(2) 吸附与解离 活化能 密度泛函理论
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Preparation and photocatalytic performance of Cu-doped TiO_2 nanoparticles 被引量:6
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作者 杨希佳 王姝 +2 位作者 孙海明 王晓兵 连建设 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2015年第2期504-509,共6页
Cu-doped TiO2 nanoparticles with different doping contents from 0 to 2.0% (mole fraction) were synthesized through sol-gel method. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and field emissi... Cu-doped TiO2 nanoparticles with different doping contents from 0 to 2.0% (mole fraction) were synthesized through sol-gel method. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and field emission scanning electron microscope (FE-SEM) were used to characterize the crystalline structure, chemical valence states and morphology of TiO2 nanoparticles. UV-Vis absorption spectrum was used to measure the optical absorption property of the samples. The photocatalytic performance of the samples was characterized by degrading 20 mg/L methyl orange under UV-Vis irradiation. The results show that the Cu-doped TiO2 nanoparticles exhibit a significant increase in photocatalytic performance over the pure TiO2 nanoparticles, and the TiO2 nanoparticles doped with 1.0% Cu show the best photocatalytic performance. The improvement in photocatalytic performance is attributed to the enhanced light adsorption in UV-Vis range and the decrease of the recombination rate of photoinduced electron-hole oair of the Cu-doped TiO2 nanoparticles. 展开更多
关键词 TIO2 Cu NANOPARTICLES PHOTOCATALYSIS DOPING sol-gel method
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掺杂单层MoS_(2)电子结构与光催化性质的第一性原理计算 被引量:1
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作者 徐启远 高朋 刘正堂 《原子与分子物理学报》 CAS 北大核心 2025年第1期35-40,共6页
为了提高MoS_(2)的光催化能力,本研究基于第一性原理平面波赝势方法,对Cr、W、Fe、Co、Ni替换单层MoS_(2)晶格中的Mo进行研究.结果表明:W的替换能为正值,Cr、Fe、Co、Ni的替换能为负值.Cr、W掺杂晶格产生畸变主要是杂质原子的共价半径... 为了提高MoS_(2)的光催化能力,本研究基于第一性原理平面波赝势方法,对Cr、W、Fe、Co、Ni替换单层MoS_(2)晶格中的Mo进行研究.结果表明:W的替换能为正值,Cr、Fe、Co、Ni的替换能为负值.Cr、W掺杂晶格产生畸变主要是杂质原子的共价半径引起的;Fe、Co、Ni掺杂晶格产生畸变主要是掺杂原子的自旋导致的.Cr、W、Fe、Co、Ni掺杂单层MoS_(2)带隙类型没有发生改变,仍然为直接带隙,但禁带宽度变小,吸收带红移,尤其Fe、Co、Ni掺杂,导带下方有杂质能级使费米能级向高能方向移动,可以作为捕获电子陷阱,增加电子密度,减少光激发电子-空穴对的复合,有利于提升光催化能力. 展开更多
关键词 掺杂 单层二硫化钼 光催化 电子结构
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Rare Earth Elements-Doped LiCoO_2 Cathode Material for Lithium-Ion Batteries 被引量:6
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作者 魏进平 曹晓燕 +2 位作者 潘桂玲 叶茂 阎杰 《Journal of Rare Earths》 SCIE EI CAS CSCD 2003年第4期466-468,共3页
Some compounds of LiCo 1- x RE x O 2 (RE=rare earth elements and x =0.01~0.03) were prepared by doping rare earth elements to LiCoO 2 via solid state synthesis. The microstructure characteristics of t... Some compounds of LiCo 1- x RE x O 2 (RE=rare earth elements and x =0.01~0.03) were prepared by doping rare earth elements to LiCoO 2 via solid state synthesis. The microstructure characteristics of the LiCo 1- x RE x O 2 were investigated by XRD. It was found that the lattice parameters c are increased and the lattice volumes are enlarged compared to that of LiCoO 2. Moreover, the performance of LiCo 1- x RE x O 2 as the cathode material in lithium ion battery is improved, especially LiCo 1- x Y x O 2 and LiCo 1- x La x O 2. The initial charge/discharge capacities of LiCo 0.99 Y 0.01 O 2 and LiCo 0.99 La 0.01 O 2 are 174/154 (mAh·g -1 ) and 159/149 (mAh·g -1 ) respectively, while those for LiCoO 2 working in the same way are only 139/131 (mAh·g -1 ). 展开更多
关键词 metallic material lithium ion battery DOPING cathode materials LiCoO 2 rare earths
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Thermodynamic equilibrium theory-guided design and synthesis of Mg-doped LiFe_(0.4)Mn_(0.6)PO_(4)/C cathode for lithium-ion batteries 被引量:1
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作者 Wei Lyu Wenlong Cai +5 位作者 Tuan Wang Xiaobo Sun Enhao Xu Jinxuan Chen Kaipeng Wu Yun Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期619-627,共9页
Mn-rich LiFe_(1-x)Mn_(x)PO_(4)(x>0.5),which combines the high operation voltage of LiMnPO_(4)with excellent rate performa nce of LiFePO4,is hindered by its sluggish kinetic properties.Herein,thermodynamic equilibri... Mn-rich LiFe_(1-x)Mn_(x)PO_(4)(x>0.5),which combines the high operation voltage of LiMnPO_(4)with excellent rate performa nce of LiFePO4,is hindered by its sluggish kinetic properties.Herein,thermodynamic equilibrium analysis of Mn^(2+)-Fe^(2+)-Mg^(2+)-C_(2)O_(4)^(2-)-H_(2)O system is used to guide the design and preparation of insitu Mg-doped(Fe_(0.4)Mn_(0.6))_(1-x)Mg_(x)C_(2)O_(4)intermediate,which is then employed as an innovative precursor to synthesize high-performance Mg-doped LiFe_(0.4)Mn_(0.6)PO_(4).It indicates that the metal ions with a high precipitation efficiency and the stoichiometric precursors with uniform element distribution can be achieved under the optimized thermodynamic conditions.Meanwhile,accelerated Li+diffusivity and reduced charge transfer resistance originating from Mg doping are verified by various kinetic characterizations.Benefiting from the contributions of inherited homogeneous element distribution,small particle size,uniform carbon layer coating,enhanced Li+migration ability and structural stability induced by Mg doping,the Li(Fe_(0.4)Mn_(0.6))_(0.97)Mg_(0.03)PO_(4)/C exhibits splendid electrochemical performance. 展开更多
关键词 (Fe_(0.4)Mn_(0.6))_(1-x)MgxC_(2)0_(4) precursors Thermodynami cequilibrium CO-PRECIPITATION Mg doping Lithium-ion batteries
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Preparation of Nano-TiO_2 Doped with Cerium and Its Photocatalytic Activity 被引量:23
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作者 樊彩梅 薛鹏 孙彦平 《Journal of Rare Earths》 SCIE EI CAS CSCD 2006年第3期309-313,共5页
Cerium-doped titanium dioxide nano-powders were prepared through the sol-gel method and the compound sampies were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and UV/Vis diffus... Cerium-doped titanium dioxide nano-powders were prepared through the sol-gel method and the compound sampies were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and UV/Vis diffuse reflectance spectra (DRS). The photocatalytic activity was evaluated by photocatalytic degradation of phenol in water. The results of XRD, TEM, and DRS show that pure TiO2 and Ce-doped TiO2 powder crystallines are a mixture of anatase and rutile ; the doping can retard the development of the grain size of TiO2 and decrease the diameter of TiO2 from more than 20 nm of pure TiO2 to about 10 nm; the doped TiO2 can improve the light absorption of TiO2 and suitable doping content tends to move the DRS spectrum of TiO2 towards visible light, but too much doping is not good for the light absorption ability. The results of the photocatalytic experiments show that doping with Ce content of 0.08% -0.4% can increase the photocatalytic activity of TiO2; however, doping with Ce content of 0.5% -2.5% can significantly decrease the photocatalytic activity of TiO2. The favorite doping content is 0.4% in the range of our experiments. 展开更多
关键词 TiO2 doped with cerium light absorption photocatalytic activity PHENOL rare earths
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Synthesis of iron(Ⅲ)-doped nanostructure TiO_2/SiO_2 and their photocatalytic activity 被引量:9
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作者 CHEN Rufen ZHANG Lei +2 位作者 SONG Xiuqin WEI YU HOU Denglu 《Rare Metals》 SCIE EI CAS CSCD 2007年第6期565-571,共7页
Iron(Ⅲ)-doped nanostructure TiO2-coated SiO2 (TiO2/SiO2) particles were prepared using the layer-by-layer assembly technique and their photocatalytic property was studied. TiO2 colloids were synthesized employing... Iron(Ⅲ)-doped nanostructure TiO2-coated SiO2 (TiO2/SiO2) particles were prepared using the layer-by-layer assembly technique and their photocatalytic property was studied. TiO2 colloids were synthesized employing the sol-gel method with TiChas a precursor. The samples were characterized by Fourier transform infrared spectroscopy (FTIR), SEM, EDS, XPS, and XRD. The experimental results show that TiO2 nanopowders on the surface of SiO2 particles are well distributed, the amount of TiO2 is increased with the adding of coating layers, the pure anatase-TiO2 coating layers are synthesized at 500℃, and the photocatalytic activity of Fe^3+-doped TiO2/SiO2 is higher than that of undoped TiO2/SiO2. 展开更多
关键词 TiO2 coating SiO2 particle NANOSTRUCTURE layer-by-layer assembly DOPING photocatalytic activity
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Metal-doped Mo2C(metal=Fe,Co,Ni,Cu)as catalysts on TiO2 for photocatalytic hydrogen evolution in neutral solution 被引量:9
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作者 Jing Liu Gary Hodes +1 位作者 Junqing Yan Shengzhong(Frank)Liu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2021年第1期205-216,共12页
The neutral hydrogen evolution reaction(HER)is vital in the chemical industry,and its efficiency depends on the interior character of the catalyst.Herein,work function(WF)engineering is introduced via 3d metal(Fe,Co,N... The neutral hydrogen evolution reaction(HER)is vital in the chemical industry,and its efficiency depends on the interior character of the catalyst.Herein,work function(WF)engineering is introduced via 3d metal(Fe,Co,Ni,and Cu)doping for modulating the Fermi energy level of Mo2C.The defective energy level facilitates the free water molecule adsorption and,subsequently,promotes the neutral HER efficiency.Specifically,at a current density of 10 mA/cm2,Cu-Mo2C exhibits the best HER performance with an overpotential of 78 mV,followed by Ni-Mo2C,Co-Mo2C,Fe-Mo2C,and bare Mo2C with 90,95,100,and 173 mV,respectively,and the corresponding Tafel slope values are 40,43,42,56,and 102 mV/dec.The modified WF can also lead to an enhanced photocatalytic efficiency owing to the lowered Schottky barrier and excellent carrier transition across the electrocatalyst–solution interface.When coupling the metal-doped Mo2C samples with TiO2,enhanced photocatalytic neutral HER rates are obtained in comparison to the case with bare TiO2.Typically,the HER rates are 521,404,275,224,147,and 112μmol/h for Cu,Ni,Co,Fe,bare Mo2C,and bare TiO2,respectively.Time-resolved photoluminescence spectroscopy(TRPS)and ultrafast transient absorption(TA)measurements are carried out to confirm the recombination and migration of the photogenerated carriers.The fittedτvalues from the TRPS curves are 22.6,20.5,10.1,4.7,4.0,2.5,and 1.9 ns for TiO2,TiO2-Mo2C,TiO2-Fe-Mo2C,TiO2-Fe-Mo2C,TiO2-Fe-Mo2C,TiO2-Fe-Mo2C,and TiO2-Pt,respectively.Additionally,the fittedτvalues from the TA results are 31,73,and 105 ps for the TiO2-Mo2C,TiO2-Cu-Mo2C,and TiO2-Pt samples,respectively.This work provides in-depth insights into the WF modulation of an electrocatalyst for improving the HER performance. 展开更多
关键词 3d metal Doping Mo2C TIO2 PHOTOCATALYSIS Water splitting Hydrogen evolution
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Enhanced visible-light photocatalytic oxidation capability of carbon-doped TiO_2 via coupling with fly ash 被引量:13
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作者 Ning An Yuwei Ma +3 位作者 Juming Liu Huiyan Ma Jucai Yang Qiancheng Zhang 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2018年第12期1890-1900,共11页
A carbon‐doped TiO2/fly ash support(C‐TiO2/FAS)composite photocatalyst was successfully synthesized through sol impregnation and subsequent carbonization.The carbon dopants were derived from the organic species gene... A carbon‐doped TiO2/fly ash support(C‐TiO2/FAS)composite photocatalyst was successfully synthesized through sol impregnation and subsequent carbonization.The carbon dopants were derived from the organic species generated during the synthesis of the C‐TiO2/FAS composite.A series of analytical techniques,such as scanning electron microscopy(SEM),attenuated total reflection‐Fourier transform infrared(ATR‐FTIR)spectroscopy,X‐ray photoelectron spectroscopy(XPS),and ultraviolet‐visible diffuse reflectance spectroscopy(UV‐Vis DRS),were used to characterize the properties of the prepared samples.The results indicated that C‐TiO2 was successfully coated on the FAS surface.Coupling between C‐TiO2 and FAS resulted in the formation of Si–O–C and Al–O–Ti bonds at their interface.The formation of Si–O–C and Al–O–Ti bonds gave rise to a positive shift of the valence band edge of C‐TiO2 and enhanced its oxidation capability of photogenerated holes as well as photodegradation efficiency of methyl orange.Moreover,the C‐TiO2/FAS photocatalyst exhibited favorable reusability and separability.This work may provide a new route for tuning the electronic band structure of TiO2. 展开更多
关键词 Fly ash TiO2 Carbon doping Visible‐light photocatalysis Photocatalytic oxidation
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