Doping Evolution of the Superconducting Gap Structure in Heavily Hole-Doped Ba1-xKxFe2As2:a Heat Transport Study

We perform systematic thermal conductivity measurements on heavily hole-doped Ba1-xKxFe2As2 single crystals with 0.747 ≤ x ≤ 0.974. At x=0.747, the K0/T is negligible, indicating a nodeless superconducting gap. A small residual linear term K0/T （=0.035 m W.K-2 cm-1） appears at xz0.826, and it increases slowly up to x=0.974, followed by a substantial increase of more than 20 times to of K0/T clearly shows that the nodal gap appears near x surface topology. The small values of K0/T from x=0.826 the pure KFe2As2 （x=1.0）. This doping dependence = 0.8, possibly associated with the change of Fermi to 0.974 are consistent with the Y-shaped nodal s- wave gap recently revealed by angle-resolved photoemission spectroscopy experiments at x=0.9. Furthermore, the substantial increase of K0/T from x=0.974 to 1.0 is inconsistent with a symmetry-imposed d-wave gap in KFe2 As2, and a possible nodal gap structure in KFe2As2 is discussed.

Influence of Sodium Carbonate Amount on Crystalline Phase and Structure Stability for Doping Nickel Hydroxide

Alpha nickel hydroxide has better performances than commercial beta nickel hydroxide. However, the main defect is that α-phase is difficult to synthesize and easily transformed to β-phase Ni（OH）2 upon aging in a strong alkaline solution. In this study, the Al-Co, Al-Yb, Yb-Co and Al-Yb-Co multiple doping was used respectively. By controlling the amount of sodium carbonate, the α-Ni（OH）2 was prepared by ultrasonic-assisted precipitation. And the influence of sodium carbonate on the crystalline phase and structure stability for alpha nickel hydroxide was studied. The results demonstrate that, with increasing amount, the biphase nickel hydroxide transforms to pure alpha nickel hydroxide gradually, and the structure stability is also improved. When the amount of sodium carbonate is 2 g, the sample still keeps α-Ni（OH）2 after being aged for 30 days, for Al-Yb-Co-Ni（OH）2. And when the amount is less than 2 g, the phase transformations exist in the samples with different extents. These results demonstrated that the amount of sodium carbonate is a critical factor to maintain the structural stability of α-Ni（OH）2.

Electric field-induced hole injection-enhanced photoluminescence in a N,N'-bis(3-methylphenyl)-N,N'-bis(phenyl)-benzidine-based emitter

Non-monotonic, asymmetrical electric field dependence of photoluminescence （PL） intensity is observed in a mono- layer sample of tris-（8-hydroxyquinoline） aluminum （A1Q） doped N,N＇-bis（3-methylphenyl）-N,N＇-bis（phenyl）-benzidine （TPD）. A possible model is proposed： the charge separation from the dissociated photoexcited excitons causes energy band bending in the organic films and improves the hole injection from the electrode, which brings about the extra fluorescence. This mechanism is further verified by a series of experiments using a series of samples, variously featuring symmetrical electrodes, block layers, and hosts with lower hole mobilities.

Doping Effect of CuO on CeO_2 for CO Oxidation

Cu-Ce-O catalysts, prepared by the amorphous citrate precursor (ACP) method, wereinvestigated by ICP, XRD and ndcro-reactor techniques. At low copper content of Cu-Ce-Ocatalysts, fluorite structures formed at low calcining temperatures, and Cuo doped into the CeO2matrix; at high copper content, in addition to the fluorite structure, crystalline monoclinic phaseCuO formed as well at high calcining temperatures. There was no other phase formed even calcinedat 1000℃. The results show that only a little CuO dopes into the CeO2 matrix to form complexoxide, which promotes the catalytic activity of CO oxidation greatly. The optimum Cu-Ce-Ocatalyst is composed of 15% copper by Cu/(Ce+Cu) atomic ratio, and calcined at 700℃ for 4h. Thephase compositions include the crystalline CuO and the active complex oxide with fluoritestructure. The formulation of the active complex oxide is Cu0.06Ce0. 94O1.94.

Design principle of single-atom catalysts for sulfur reduction reaction—interplay between coordination patterns and transition metals

The polysulfide shuttling effect is the primary bottleneck restricting the industrial application of Li-S batteries,and the electrocatalytic sulfur reduction reaction(SRR)has emerged as an effective solution.Carbon-based singleatom catalysts(SACs),which promotes SRR,show great potential in inhibiting the shuttling effect of polysulfides.Meanwhile,the optimization and rational design of such catalysts requires a deep understanding to the fundamental SRR mechanism and remains highly nontrivial.In this work,we construct a comprehensive database of carbon-based SACs,covering different coordination patterns,heteroatoms,and transition metals.The SRR activities are determined using density functional theory calculations,revealing a synergistic effect between the p orbital of the heteroatom and the d orbital of the transition metal.This interplay underscores the critical importance of the coordination environment for SRR under the ortho-P_(2)C_(2)structure.Regardless of the transition metal type,the ortho-P_(2)C_(2)coordination pattern significantly enhances the SRR performance of SACs,surpassing the widely reported N_(3)C_(1)and N_(4)coordinated graphene-based SACs.Furthermore,heteroatoms with ortho-P_(2)C_(2)may exhibit SRR activity.In a word,by using this comprehensive dataset and data-driven framework,we propose a promising novel class of coordination structure(ortho-P_(2)C_(2)structure)and neglected design principle.

Chitin derived nitrogen-doped porous carbons with ultrahigh specific surface area and tailored hierarchical porosity for high performance supercapacitors

In this study,we report the fabrication of nitrogen rich activated nanosized carbon with hierarchical micro/mesoporous and ultrahigh specific surface area by template-free and one-step carbonization-activation method,which greatly simplified the process and avoided the waste of reagents.Chitin nanoparticles were prepared by a mechanical induced sol-gel transition process in NaOH/Urea solvent and a subsequent carbonization utilizing NaOH for activation and urea for N doping,resulting in activated carbon(ACNC-800)with extraordinary specific surface area(2631 m^(2)/g)and high nitrogen content(7.1%).Further characterization and electrochemical tests demonstrate high electrochemical performance of the activated nanocarbon.Under the current density of 0.5 A/g,the specific capacitance of the three-electrode system is 245 F/g and that of the two-electrode system is 227 F/g.The assembled capacitors exhibit superior rate performance and good cycle stability(98%capacitance retention after 10000 charge-discharge cycles).This work introduces a simple and efficient strategy to prepare N-doped carbon with hierarchical porosity applied to high performance supercapacitors.

Thermal and structural properties of Nd2O3-doped calcium boroaluminate glasses

Nd^3＋ doped CaO-Al2O-B2O3-CaF2 glasses were prepared by conventional melt-quenching technique,and their structural and thermal properties were studied.The amorphous nature of these samples was confirmed by X-ray diffraction（XRD）.The measured density showed an increase with Nd2O3 doping,at the expense of CaO.Raman spectra presented changes with addition of Nd2O3,which indicated that the network structure of the glasses studied presented various borate groups,such as tetraborates,metaborates,ortho-borates and pyroborates units.The N4 values calculated from FTIR spectra revealed that incorporation of Nd2O3 into glass network converted the structural units from BO4 to BO3.From the analysis of DTA curves,we verified that Tg increased with the addition of Nd2O3;it was similar to the behavior caused by modifier oxides in the structure of borate glasses.Besides that,the calculated glass stability Tx–Tg for doped samples presented a decrease if compared to the undoped glass.Specific heat and thermal conductivity did not present significant changes with Nd2O3 concentration,up to 2.30 mol.%.The results of density,DTA,Raman and FTIR reinforced the idea that Nd2O3 acted as network modifier.

Influence of tension-twisting deformations and defects on optical and electrical properties of B,N doped carbon nanotube superlattices

As the era of nanoelectronics is dawning,CNT（carbon nanotube）,a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical properties,this paper has researched the influence of tension-twisting deformation,defects,and mixed type on the electronic structure and optical properties of the armchair carbon nanotube superlattices doped cyclic alternately with B and N by using the first-principle method.Our findings show that if tension-twisting deformation is conducted,then the geometric structure,bond length,binding energy,band gap and optical properties of B,N doped carbon nanotube superlattices with defects and mixed type will be influenced.As the degree of exerted tension-twisting deformation increases,B,N doped carbon nanotube superlattices become less stable,and B,N doped carbon nanotube superlattices with defects are more stable than that with exerted tension-twisting deformations.Proper tension-twisting deformation can adjust the energy gap of the system;defects can only reduce the energy gap,enhancing the system metallicity;while the mixed type of 5%tension,twisting angle of 15° and atomic defects will significantly increase the energy gap of the system.From the perspective of optical properties,doped carbon nanotubes may transform the system from metallicity into semi-conductivity.

Simultaneous structure and luminescence property control of barium carbonate nanocrystals through small amount of lanthanide doping

Rare earth doping has been widely applied in many functional nanomaterials with desirable properties and functions,which would have a significant effect on the growth process of the materials.However,the controlling strategy is limited into high concentration of lanthanide doping,which produces concentration quenching of the lanthanide ion luminescence with an increase in the Ln^(3+)concentration,resulting in lowering the fluorescence quantum yield of lanthanide ion.Herein,for the first time,we demonstrate simultaneous control of the structures and luminescence properties of BaCO_3nanocrystals via a small amount of Tb^(3+)doping strategy.In fact,Tb^(3+)would partially occupy Ba^(2+)sites,resulting in the changes to the structures of the BaCO_3nanocrystals,which is primarily determined by charge modulation,including the contributions from the surfaces of crystal nuclei and building blocks.These structurally modified nanocrystals exhibit tunable luminescence properties,thus emerging as potential candidates for photonic devices such as light-emitting diodes and color displays.

Electrochemical performance of La_(2–x)Sm_xMg_(16)Ni+200 wt.% Ni(x=0, 0.1, 0.2, 0.3, 0.4) alloys

Nanocrystalline and amorphous La_（2–x）Sm_xMg_（16）Ni＋200wt.% Ni（x=0, 0.1, 0.2, 0.3, 0.4） alloys were prepared by mechanical milling technology. The structures of as-cast and milled alloys were investigated by X-ray diffraction（XRD）, scanning electron microscopy（SEM） and transmission electron microscopy（TEM）. Electrochemical performance of the alloy was studied by using an automatic galvanostatic system. The electrochemical impedance spectra（EIS） and Tafel polarization curves were measured by electrochemical workstation. The results indicated that the structures of the as-cast and milled alloys presented a multiphase structure with nanocrystalline and amorphous phase, moreover, transforming from nanocrystalline to amorphous phase with Sm doping. With the increase of Sm content, the maximum discharge capacity of the alloy was decreased from 922.6 to 649.1 m Ah/g, the high-rate discharge ability（HRD） was decreased, the cycle stability was strengthened, and the alloy exhibited excellent electrochemical kinetics. In addition, the charge-transfer resistance（R_（ct）） of alloy was lessened from 0.05874 to 0.02953 ？ and the limiting current density（I_L） was descended from 2.08366 to 1.04592 A/g with increasing Sm content.

Recent progress in Li-S and Li-Se batteries

Li–S and Li–Se batteries have attracted tremendous attention during the past several decades, as the energy density of Li–S and Li–Se batteries is high（several times higher than that of traditional Li-ion batteries）.Besides, Li–S and Li–Se batteries are low cost and environmental benign. However, the commercial applications of Li–S and Li–Se batteries are hindered by the dissolution and shuttle phenomena of polysulfide（polyselenium）, the low conductivity of S（Se）, etc. To overcome these drawbacks, scientists have come up with various methods, such as optimizing the electrolyte, synthesizing composite electrode of S/polymer, S/carbon, S/metal organic framework（MOF） and constructing novelty structure of battery.In this review, we present a systematic introduction about the recent progress of Li–S and Li–Se batteries, especially in the area of electrode materials, both of cathode material and anode material for Li–S and Li–Se batteries. In addition, other methods to lead a high-performance Li–S and Li–Se batteries are also briefly summarized, such as constructing novelty battery structure, adopting proper charge–discharge conditions, heteroatom doping into sulfur molecules, using different kinds of electrolytes and binders. In the end of the review, the developed directions of Li–S and Li–Se batteries are also pointed out. We believe that combining proper porous carbon matrix and heteroatom doping may further improve the electrochemical performance of Li–S and Li–Se batteries. We also believe that Li–S and Li–Se batteries will get more exciting results and have promising future by the effort of battery community.