Doping effects of manganese （Mn） on catalytic performance and structure evolution of NiMgO catalysts for synthesis of multi-walled carbon nanotubes （MWCNTs） from methane were investigated for the first time. Addit...Doping effects of manganese （Mn） on catalytic performance and structure evolution of NiMgO catalysts for synthesis of multi-walled carbon nanotubes （MWCNTs） from methane were investigated for the first time. Addition of Mn in NiMgO catalyst can greatly improve the MWCNTs yield. Mno.2NiMgO catalyst among the tested ones gives the highest MWCNTs yield as 2244%, which is two times higher than that of the catalyst without Mn. The structure evolution, reduction behaviors and surface chemical properties of MnNiMgO catalysts with various Mn contents were studied in detail. It was found that the stable solid solution of NiMgO2 formed in NiMgO catalyst was disturbed by the addition of Mn. Instead, another solid solution of MnMg608 is formed. More amount of Ni can be reduced and dispersed on the catalyst surface to be acted as active sites. Importantly, the changes of Ni content on the surface are correlated with the Ni particle size and the outer diameter of MWCNTs, suggesting the controllable synthesis of MWCNTs over MnNiMgO catalysts.展开更多
A series of samples of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15)(x=0,0.05,0.1,0.15,0.2)with quasi-one-dimensional(1D)structure were successfully synthesized under high-temperature and high-pressure conditions.The influence of ...A series of samples of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15)(x=0,0.05,0.1,0.15,0.2)with quasi-one-dimensional(1D)structure were successfully synthesized under high-temperature and high-pressure conditions.The influence of partial substitution of S for Se on the structure,electronic transport,and magnetic properties of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) has been investigated in detail.The x-ray diffraction data shows that the lattice constant decreases linearly with increasing S-doping level,which follows the Vegrad’s law.The doped S atoms preferentially occupy the site of Se atoms in CoSe6 octahedron.Physical properties measurements indicate that all the samples of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) are semiconducting and display spin glass behavior.As the replacement of Se by smaller size S,although the inter-chain distance decreases,the electronic hopping between CoSe/S6 chains is weakened and leads to an increase of band gap from 0.75 eV to 0.86 eV,since the S-3p electrons are more localized than Se-4p ones.Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) exhibits 1D conducting chain characteristic.展开更多
Antiperovskite compounds Mn3Ag1-xCoxN （x =0.2, 0.5 and 0.8） are synthesized and the doping effect of the magnetic element Co at the Ag site is investigated. The crystal structure is not changed by the introduction o...Antiperovskite compounds Mn3Ag1-xCoxN （x =0.2, 0.5 and 0.8） are synthesized and the doping effect of the magnetic element Co at the Ag site is investigated. The crystal structure is not changed by the introduction of Co. However, with the increase of the content of Co, the spin reorientation gradually disappears and the antiferromagnetic transition changes to the ferromagnetic transition at the elevated temperature when x = 0.8. In addition, all of the magnetic phase transitions at the elevated temperature are always accompanied by the abnormal thermal expansion behaviors and an entropy change. Moreover, when x = 0.8, the coefficient of linear expansion is -1.89 × 10^-6 K^-1 （290-310K, △T =20 K）, which is generally considered as the low thermal expansion.展开更多
Constructing robust surface and bulk structure is the prerequisite for realizing high performance high voltage LiCoO_(2)(LCO).Herein,we manage to synthesize a surface Mg-doping and bulk Al-doping coreshell structured ...Constructing robust surface and bulk structure is the prerequisite for realizing high performance high voltage LiCoO_(2)(LCO).Herein,we manage to synthesize a surface Mg-doping and bulk Al-doping coreshell structured LCO,which demonstrates excellent cycling performance.Half-cell shows 94.2%capacity retention after 100 cycles at 3.0-4.6 V(vs.Li/Li^(+))cycling,and no capacity decay after 300 cycles for fullcell test(3.0-4.55 V).Based on comprehensive microanalysis and theoretical calculations,the degradation mechanisms and doping effects are systematically revealed.For the undoped LCO,high voltage cycling induces severe interfacial and bulk degradations,where cracks,stripe defects,fatigue H2 phase,and spinel phase are identified in grain bulk.For the doped LCO,Mg-doped surface shell can suppress the interfacial degradations,which not only stabilizes the surface structure by forming a thin rock-salt layer but also significantly improves the electronic conductivity,thus enabling superior rate performance.Bulk Al-doping can suppress the lattice"breathing"effect and the detrimental H3 to H1-3 phase transition,which minimizes the internal strain and defects growth,maintaining the layered structure after prolonged cycling.Combining theoretical calculations,this work deepens our understanding of the doping effects of Mg and Al,which is valuable in guiding the future material design of high voltage LCO.展开更多
The doping effects on the frustration and the magnetic properties in hexagonal compounds ot YMn0.9A0.1O3 （A=A1, Fe and Cu） are investigated. Experimental results indicate that both the non-magnetic and magnetic ion ...The doping effects on the frustration and the magnetic properties in hexagonal compounds ot YMn0.9A0.1O3 （A=A1, Fe and Cu） are investigated. Experimental results indicate that both the non-magnetic and magnetic ion dopants lead to the increase of magnetic moments and the decrease of the absolute value of Curie-Weiss temperature （｜θcw｜）- Compared with pure YMnOa, the geometrical frustration of YMn0.9 A0. 1O3 is greatly suppressed and the magnetic coupling in that exhibits dopant-dependent. In addition, for the doped YMno.gAo.103, the antiferromagnetic transition temperature （TN） is also suppressed slightly, which shows an abnormal dilution effect and it may be ascribed to the reduction of frustration due to the chemical substitution.展开更多
The electronic transport properties of a molecular junction based on doping tailoring armchair-type graphene nanoribbons（AGNRs）with different widths are investigated by applying the non-equilibrium Green＇s function...The electronic transport properties of a molecular junction based on doping tailoring armchair-type graphene nanoribbons（AGNRs）with different widths are investigated by applying the non-equilibrium Green＇s function formalism combined with first-principles density functional theory.The calculated results show that the width and doping play significant roles in the electronic transport properties of the molecular junction.A higher current can be obtained for the molecular junctions with the tailoring AGNRs with W=11.Furthermore,the current of boron-doped tailoring AGNRs with widths W=7 is nearly four times larger than that of the undoped one,which can be potentially useful for the design of high performance electronic devices.展开更多
Polymer solar cells （PSCs） based on poly（3-hexylthiophene） （P3HT） and [6,6]-phenyl-C61-butyric acid methyl ester （PCBM） are fabricated by using 1,8-diiodooctane （DIO） as a solvent additive to control the dop...Polymer solar cells （PSCs） based on poly（3-hexylthiophene） （P3HT） and [6,6]-phenyl-C61-butyric acid methyl ester （PCBM） are fabricated by using 1,8-diiodooctane （DIO） as a solvent additive to control the doping density of the PSCs. It is shown that the processing of DIO does not change the doping density of the P3HT phase, while it causes a dramatic reduction of the doping density of the PCBM phase, which decreases the doping density of the whole blend layer from 3.7 × 10^16 cm-3 to 1.2 ×10^16 cm-3. The reduction of the doping density in the PCBM phase originates from the increasing crystallinity of PCBM with DIO addition, and it leads to a decreasing doping density in the blend film and improves the short circuit current of the PSCs.展开更多
Hetero-element doping is a promising strategy to improve the cycling stability of nickel-rich cobalt-free cathodes for the next-generation high energy-density Li ion batteries.To make doping effective,it is important ...Hetero-element doping is a promising strategy to improve the cycling stability of nickel-rich cobalt-free cathodes for the next-generation high energy-density Li ion batteries.To make doping effective,it is important to understand the mechanism of how the dopants regulate the electronic band,lattice parameter adjusting,or hetero-phase formation to achieve high stability.In this study,we investigate LiNi_(0.9)Mn_(0.1)O_(2)cathodes doped with IVB grouping elements via multiple characterization techniques.By utilizing in situ XRD and TEM methods,we found that the stronger Ti-O bond effectively improves the cathode stability via a dual protection mechanism.Specifically,the bulk lattice of cathode is wellpreserved during cycling as a result of the suppressed H_(2)-H_(3)phase transition,while a in situ formed Ti-rich surface layer can prevent continuous surface degradation.As a result,the 5%Ti doped LiNi_(0.9)Mn_(0.1)O_(2)cathode exhibits a high capacity retention of 96%after 100 cycles.Whereas,despite IVB group elements Zr and Hf have stronger bonding energy with oxygen,their larger ionic radii actually impede their diffusion into the cathode,thereby they can not improve the cycling stability.Our findings uncover the functional origin of doped elements with their dynamic modification on cathode structure,providing mechanistic insights into the design of nickel-rich cobalt-free cathodes.展开更多
We synthesize a series of Mn substituted （Li, Fe）OHFeSe superconductor single crystals via a modified ion-exchange method, with the Mn concentration z （the atomic ratio of Mn：Se） ranging from 0 to 0.07. The distr...We synthesize a series of Mn substituted （Li, Fe）OHFeSe superconductor single crystals via a modified ion-exchange method, with the Mn concentration z （the atomic ratio of Mn：Se） ranging from 0 to 0.07. The distribution homogeneity of the Mn element incorporated into the lattice of （Li, Fe）OHFeSe is checked by combined measurements of high-angle- annular-dark-field （HAADF） imaging and electron energy-loss spectroscopy （EELS）. Interestingly, we find that the superconducting transition temperature Tc and unit cell parameter c of the Mn-doped （Li, Fe）OHFeSe samples display similar V-shaped evolutions with the increasing dopant concentration z. We propose that, with increasing doping level, the Mn dopant first occupies the tetrahedral sites in the （Li, Fe）OH layers before starting to substitute the Fe element in the su- perconducting FeSe layers, which accounts for the V-shaped change in cell parameter c. The observed positive correlation between the Tc and lattice parameter c, regardless of the Mn doping level z, indicates that a larger interlayer separation, or a weaker interlayer coupling, is essential for the high-Tc superconductivity in （Li, Fe）OHFeSe. This agrees with our previous observations on powder, single crystal, and film samples of （Li, Fe）OHFeSe superconductors.展开更多
We report on the temperature-dependent dc performance of A1GaN/GaN polarization doped field effect transistors （PolFETs）. The rough decrements of drain current and transeonductance with the operation temperature are...We report on the temperature-dependent dc performance of A1GaN/GaN polarization doped field effect transistors （PolFETs）. The rough decrements of drain current and transeonductance with the operation temperature are observed. Compared with the conventional HFETs, the drain current drop of the PolFET is smaller. The transeonductance drop of PolFETs at different gate biases shows different temperature dependences. From the aspect of the unique carrier behaviors of graded AlGaN/GaN heterostructure, we propose a quasi-multi-channel model to investigate the physics behind the temperature-dependent performance of AlGaN/GaN PolFETs.展开更多
基金supported by the National Natural Science Foundation of China(20776089)the Fundamental Research Funds for the Central Universities(2014NZYQN20)
文摘Doping effects of manganese （Mn） on catalytic performance and structure evolution of NiMgO catalysts for synthesis of multi-walled carbon nanotubes （MWCNTs） from methane were investigated for the first time. Addition of Mn in NiMgO catalyst can greatly improve the MWCNTs yield. Mno.2NiMgO catalyst among the tested ones gives the highest MWCNTs yield as 2244%, which is two times higher than that of the catalyst without Mn. The structure evolution, reduction behaviors and surface chemical properties of MnNiMgO catalysts with various Mn contents were studied in detail. It was found that the stable solid solution of NiMgO2 formed in NiMgO catalyst was disturbed by the addition of Mn. Instead, another solid solution of MnMg608 is formed. More amount of Ni can be reduced and dispersed on the catalyst surface to be acted as active sites. Importantly, the changes of Ni content on the surface are correlated with the Ni particle size and the outer diameter of MWCNTs, suggesting the controllable synthesis of MWCNTs over MnNiMgO catalysts.
基金supported by the Doctoral Fund of Henan University of Technology(Grant No.2020BS029)the National Key R&D Program of China(Grant Nos.2018YFA0305700 and 2017YFA0302900)+1 种基金the National Natural Science Foundation of China(Grant Nos.11974410 and 11820101003)the Stable Support Plan Program of Shenzhen Natural Science Fund(Grant No.20200925152415003)。
文摘A series of samples of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15)(x=0,0.05,0.1,0.15,0.2)with quasi-one-dimensional(1D)structure were successfully synthesized under high-temperature and high-pressure conditions.The influence of partial substitution of S for Se on the structure,electronic transport,and magnetic properties of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) has been investigated in detail.The x-ray diffraction data shows that the lattice constant decreases linearly with increasing S-doping level,which follows the Vegrad’s law.The doped S atoms preferentially occupy the site of Se atoms in CoSe6 octahedron.Physical properties measurements indicate that all the samples of Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) are semiconducting and display spin glass behavior.As the replacement of Se by smaller size S,although the inter-chain distance decreases,the electronic hopping between CoSe/S6 chains is weakened and leads to an increase of band gap from 0.75 eV to 0.86 eV,since the S-3p electrons are more localized than Se-4p ones.Ba_(9)Co_(3)(Se_(1−x)S_(x))_(15) exhibits 1D conducting chain characteristic.
基金Supported by the National Natural Science Foundation of China under Grant No 51172012the Fundamental Research Funds for the Central Universities
文摘Antiperovskite compounds Mn3Ag1-xCoxN （x =0.2, 0.5 and 0.8） are synthesized and the doping effect of the magnetic element Co at the Ag site is investigated. The crystal structure is not changed by the introduction of Co. However, with the increase of the content of Co, the spin reorientation gradually disappears and the antiferromagnetic transition changes to the ferromagnetic transition at the elevated temperature when x = 0.8. In addition, all of the magnetic phase transitions at the elevated temperature are always accompanied by the abnormal thermal expansion behaviors and an entropy change. Moreover, when x = 0.8, the coefficient of linear expansion is -1.89 × 10^-6 K^-1 （290-310K, △T =20 K）, which is generally considered as the low thermal expansion.
基金the National Natural Science Foundation of China(12174015)the Natural Science Foundation of Beijing,China(2212003)+1 种基金the China National Petroleum Corporation Innovation Found(2021DQ02-1004)the National Natural Science Foundation of China(12102053)。
文摘Constructing robust surface and bulk structure is the prerequisite for realizing high performance high voltage LiCoO_(2)(LCO).Herein,we manage to synthesize a surface Mg-doping and bulk Al-doping coreshell structured LCO,which demonstrates excellent cycling performance.Half-cell shows 94.2%capacity retention after 100 cycles at 3.0-4.6 V(vs.Li/Li^(+))cycling,and no capacity decay after 300 cycles for fullcell test(3.0-4.55 V).Based on comprehensive microanalysis and theoretical calculations,the degradation mechanisms and doping effects are systematically revealed.For the undoped LCO,high voltage cycling induces severe interfacial and bulk degradations,where cracks,stripe defects,fatigue H2 phase,and spinel phase are identified in grain bulk.For the doped LCO,Mg-doped surface shell can suppress the interfacial degradations,which not only stabilizes the surface structure by forming a thin rock-salt layer but also significantly improves the electronic conductivity,thus enabling superior rate performance.Bulk Al-doping can suppress the lattice"breathing"effect and the detrimental H3 to H1-3 phase transition,which minimizes the internal strain and defects growth,maintaining the layered structure after prolonged cycling.Combining theoretical calculations,this work deepens our understanding of the doping effects of Mg and Al,which is valuable in guiding the future material design of high voltage LCO.
基金Supported by the National Natural Science Foundation of China under Grant No 11104091
文摘The doping effects on the frustration and the magnetic properties in hexagonal compounds ot YMn0.9A0.1O3 （A=A1, Fe and Cu） are investigated. Experimental results indicate that both the non-magnetic and magnetic ion dopants lead to the increase of magnetic moments and the decrease of the absolute value of Curie-Weiss temperature （｜θcw｜）- Compared with pure YMnOa, the geometrical frustration of YMn0.9 A0. 1O3 is greatly suppressed and the magnetic coupling in that exhibits dopant-dependent. In addition, for the doped YMno.gAo.103, the antiferromagnetic transition temperature （TN） is also suppressed slightly, which shows an abnormal dilution effect and it may be ascribed to the reduction of frustration due to the chemical substitution.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11004156 and 11547172the Science and Technology Star Project of Shaanxi Province under Grant No 2016KJXX-45
文摘The electronic transport properties of a molecular junction based on doping tailoring armchair-type graphene nanoribbons（AGNRs）with different widths are investigated by applying the non-equilibrium Green＇s function formalism combined with first-principles density functional theory.The calculated results show that the width and doping play significant roles in the electronic transport properties of the molecular junction.A higher current can be obtained for the molecular junctions with the tailoring AGNRs with W=11.Furthermore,the current of boron-doped tailoring AGNRs with widths W=7 is nearly four times larger than that of the undoped one,which can be potentially useful for the design of high performance electronic devices.
基金Supported by the National Natural Science Foundation of China under Grant Nos 21174016 and 11474017the Doctoral Program of Higher Education of China under Grant No 20120009110031
文摘Polymer solar cells （PSCs） based on poly（3-hexylthiophene） （P3HT） and [6,6]-phenyl-C61-butyric acid methyl ester （PCBM） are fabricated by using 1,8-diiodooctane （DIO） as a solvent additive to control the doping density of the PSCs. It is shown that the processing of DIO does not change the doping density of the P3HT phase, while it causes a dramatic reduction of the doping density of the PCBM phase, which decreases the doping density of the whole blend layer from 3.7 × 10^16 cm-3 to 1.2 ×10^16 cm-3. The reduction of the doping density in the PCBM phase originates from the increasing crystallinity of PCBM with DIO addition, and it leads to a decreasing doping density in the blend film and improves the short circuit current of the PSCs.
基金the funding support from the National Key Research and Development Program of China(2020YFB2007400)the National Natural Science Foundation of China(22209202,22075317)the Strategic Priority Research Program(B)(XDB33030200)of Chinese Academy of Sciences。
文摘Hetero-element doping is a promising strategy to improve the cycling stability of nickel-rich cobalt-free cathodes for the next-generation high energy-density Li ion batteries.To make doping effective,it is important to understand the mechanism of how the dopants regulate the electronic band,lattice parameter adjusting,or hetero-phase formation to achieve high stability.In this study,we investigate LiNi_(0.9)Mn_(0.1)O_(2)cathodes doped with IVB grouping elements via multiple characterization techniques.By utilizing in situ XRD and TEM methods,we found that the stronger Ti-O bond effectively improves the cathode stability via a dual protection mechanism.Specifically,the bulk lattice of cathode is wellpreserved during cycling as a result of the suppressed H_(2)-H_(3)phase transition,while a in situ formed Ti-rich surface layer can prevent continuous surface degradation.As a result,the 5%Ti doped LiNi_(0.9)Mn_(0.1)O_(2)cathode exhibits a high capacity retention of 96%after 100 cycles.Whereas,despite IVB group elements Zr and Hf have stronger bonding energy with oxygen,their larger ionic radii actually impede their diffusion into the cathode,thereby they can not improve the cycling stability.Our findings uncover the functional origin of doped elements with their dynamic modification on cathode structure,providing mechanistic insights into the design of nickel-rich cobalt-free cathodes.
基金Project supported by the National Key Research and Development Program of China(Grant Nos.2017YFA0303003 and 2016YFA0300300)the National Natural Science Foundation of China(Grant No.11574370)the Strategic Priority Research Program and Key Research Program of Frontier Sciences of the Chinese Academy of Sciences(Grant Nos.QYZDY-SSW-SLH001,QYZDY-SSW-SLH008,and XDB07020100)
文摘We synthesize a series of Mn substituted （Li, Fe）OHFeSe superconductor single crystals via a modified ion-exchange method, with the Mn concentration z （the atomic ratio of Mn：Se） ranging from 0 to 0.07. The distribution homogeneity of the Mn element incorporated into the lattice of （Li, Fe）OHFeSe is checked by combined measurements of high-angle- annular-dark-field （HAADF） imaging and electron energy-loss spectroscopy （EELS）. Interestingly, we find that the superconducting transition temperature Tc and unit cell parameter c of the Mn-doped （Li, Fe）OHFeSe samples display similar V-shaped evolutions with the increasing dopant concentration z. We propose that, with increasing doping level, the Mn dopant first occupies the tetrahedral sites in the （Li, Fe）OH layers before starting to substitute the Fe element in the su- perconducting FeSe layers, which accounts for the V-shaped change in cell parameter c. The observed positive correlation between the Tc and lattice parameter c, regardless of the Mn doping level z, indicates that a larger interlayer separation, or a weaker interlayer coupling, is essential for the high-Tc superconductivity in （Li, Fe）OHFeSe. This agrees with our previous observations on powder, single crystal, and film samples of （Li, Fe）OHFeSe superconductors.
文摘We report on the temperature-dependent dc performance of A1GaN/GaN polarization doped field effect transistors （PolFETs）. The rough decrements of drain current and transeonductance with the operation temperature are observed. Compared with the conventional HFETs, the drain current drop of the PolFET is smaller. The transeonductance drop of PolFETs at different gate biases shows different temperature dependences. From the aspect of the unique carrier behaviors of graded AlGaN/GaN heterostructure, we propose a quasi-multi-channel model to investigate the physics behind the temperature-dependent performance of AlGaN/GaN PolFETs.
