Multi-Physics Modeling of Solid Oxide Fuel Cell Fueled by Methane and Analysis of Carbon Deposition

低蒸气甲烷燃料的内部改革为高效率和稳固的氧化物燃料房间的低费用操作是重要的。理解并且克服的碳免职为技术发展是关键的。这一个多物理模型为相关试验性的房间被建立。为电气化学的反应的电气化学的潜力的平衡，为甲烷蒸气的通用的率表示在为阳极气体运输的 Fick's 模型的一种形式的改过的、尘封的煤气的模型在模型被使用。在理论、试验性的当前电压的关系之间的优秀同意被获得，表明建议理论模型的有效性。在改革反应的低蒸气甲烷的蒸气反应顺序被发现是 1。物理数量的分布的详细信息被数字模拟获得。碳免职详细被分析，为由操作电流的 coking 抑制的机制清楚地被说明。碳活动的二表情被分析并且发现了是正确品质上，然而并非份量上。为碳移动减少当前的阀值上的阳极散开层的角色也被解释。当前的阀值减小可以与仅仅是品质上的模型改正的碳活动被解释份量上，这被注意。

Electronic structure and effective mass of pristine and Cl-doped CsPbBr_(3)

Organic–inorganic lead halide perovskites(LHPs) have attracted great interest owing to their outstanding optoelectronic properties.Typically,the underlying electronic structure would determinate the physical properties of materials.But as for now,limited studies have been done to reveal the underlying electronic structure of this material system,comparing to the huge amount of investigations on the material synthesis.The effective mass of the valance band is one of the most important physical parameters which plays a dominant role in charge transport and photovoltaic phenomena.In pristine CsPbBr_(3),the Fr?hlich polarons associated with the Pb–Br stretching modes are proposed to be responsible for the effective mass renormalization.In this regard,it would be very interesting to explore the electronic structure in doped LHPs.Here,we report high-resolution angle-resolved photoemission spectroscopy(ARPES) studies on both pristine and Cl-doped CsPbBr_(3).The experimental band dispersions are extracted from ARPES spectra along both ■ and ■ high symmetry directions.DFT calculations are performed and directly compared with the ARPES data.Our results have revealed the band structure of Cl-doped CsPbBr_(3) for the first time,which have also unveiled the effective mass renormalization in the Cl-doped CsPbBr_(3) compound.Doping dependent measurements indicate that the chlorine doping could moderately tune the renormalization strength.These results will help understand the physical properties of LHPs as a function of doping.

Localization effect in single crystal of RuAs_(2)

We report the magnetotransport and thermal properties of RuAs_(2) single crystal.RuAs_(2) exhibits semiconductor behavior and localization effect.The crossover from normal state to diffusive transport in the weak localization(WL)state and then to variable range hopping(VRH)transport in the strong localization state has been observed.The transitions can be reflected in the measurement of resistivity and Seebeck coefficient.Negative magnetoresistance(NMR)emerges with the appearance of localization effect and is gradually suppressed in high magnetic field.The temperature dependent phase coherence length extracted from the fittings of NMR also indicates the transition from WL to VRH.The measurement of Hall effect reveals an anomaly of temperature dependent carrier concentration caused by localization effect.Our findings show that RuAs_(2) is a suitable platform to study the localized state.

Giant-Capacitance-Induced Wide Quantum Hall Plateaus in Graphene on LaAlO3/SrTiO3 Heterostructures

Hybrid structures of two distinct materials provide an excellent opportunity to optimize functionalities.We report the realization of wide quantum Hall plateaus in graphene field-effect devices on the LaAlO3/SrTiO3 heterostructures.Well-defined quantized Hall resistance plateaus at filling factors ν=±2 can be obtained over wide ranges of the magnetic field and gate voltage,e.g.,extending from 2 T to a maximum available magnetic field of 9 T.By using a simple band diagram model,it is revealed that these wide plateaus arise from the ultralarge capacitance of the ultra-thin LAO layer acting as the dielectric layer.This is distinctly different from the case of epitaxial graphene on Si C substrates,where the realization of giant Hall plateaus relies on the charge transfer between the graphene layer and interface states in SiC.Our results offer an alternative route towards optimizing the quantum Hall performance of graphene,which may find its applications in the further development of quantum resistance metrology.

Single crystal growth and electronic structure of Rh-doped Sr_(3)Ir_(2)O_(7)

Ruddlesden-Popper iridate Sr_(3)Ir_(2)O_(7)is a spin-orbit coupled Mott insulator.Hole doped Sr_(3)Ir_(2)O_(7)provides an ideal platform to study the exotic quantum phenomena that occur near the metal-insulator transition(MIT)region.Rh substitution of Ir is an effective method to induce hole doping into Sr_(3)Ir_(2)O_(7).However,the highest doping level reported in Sr_(3)(Ir_(1-x)Rh_(x))_(2)O_(7)single crystals was only around 3%,which is far from the MIT region.In this paper,we report the successful growth of single crystals of Sr3(Ir_(1-x)Rh_(x))_(2)O_(7)with a doping level of~9%.The samples have been fully characterized,demonstrating the high quality of the single crystals.Transport measurements have been carried out,confirming the tendency of MIT in these samples.The electronic structure has also been examined by angle-resolved photoemission spectroscopy(ARPES)measurements.Our results establish a platform to investigate the heavily hole doped Sr_(3)Ir_(2)O_(7) compound,which also provide new insights into the MIT with hole doping in this material system.

Effects of atomic corrugations on electronic structures in Pb_(1-x)Bi_(x) thin films

We carried out experimental investigations of the geometric effect on the electronic behavior in Pb_(1-x)Bi_(x) thin films by scanning tunneling microscopy and spectroscopy.Single crystal monolayer Pb_(0.74)Bi_(0.26) and two-monolayer Pb_(0.75)Bi_(0.25)Pb_(1-x)Bi_(x) thin films were fabricated by molecular beam epitaxy,where large surface corrugations were observed.Combined with tunneling spectroscopic measurements,it is found that atomic corrugations can widely change the electronic behaviors.These findings show that the Pb_(1-x)Bi_(x) system can be a promising platform to further explore geometry-decorated electronic behavior in two-dimensional metallic thin films.

Directing in-situ self-optimization of single-atom catalysts for improved oxygen evolution

The demand for clean and sustainable energy has encouraged the production of hydrogen from water electrolyzers.To overcome the obstacle to improving the efficiency of water electrolyzers,it is highly desired to fabricate active electrocatalysts for the sluggish oxygen evolution process.However,there is generally an intrinsic gap between the as-prepared and real electrocatalysts due to structure evolution under the oxidative reaction conditions.Here,we combine in-situ anionic leaching and atomic deposition to realize single-atom catalysts with self-optimized structures.The introduced F ions facilitate structural transformation from Co(OH)xF into CoOOH(F),which generates an amorphous edge surface to provide more anchoring sites for Ir single atoms.Meanwhile,the in-situ anionic leaching of F ions elevates the Co valence state of Ir_(1)/CoOOH(F)more significantly than the counterpart without F ions(Ir_(1)/CoOOH),leading to stronger adsorption of oxygenated intermediates.As revealed by electrochemical measurements,the increased Ir loading together with the favored adsorption of*OH intermediates improve the catalytic activity of Ir_(1)/CoOOH(F).Specifically,Ir_(1)/CoOOH(F)delivered a current density of 10 mA cm-2at an overpotential of 238 mV,being lower than 314 mV for Ir_(1)/CoOOH.The results demonstrated the facility of the in-situ optimization process to optimize catalyst structure for improved performance.

Strong spin frustration and magnetism in kagoméantiferromagnets LnCu_(3)(OH)_(6)Br_(3)(Ln=Nd,Sm,and Eu)

To study the effects of lanthanide ions on the geometrically frustrated antiferromagnets and their magnetic properties,we grew high-quality single crystals of LnCu_(3)(OH)_(6)Br_(3)(Ln=Nd,Sm,and Eu)by hydrothermal method and studied their crystal structures and magnetic properties.The refinements of the crystal structure referred to the powder x-ray diffraction data show that LnCu_(3)(OH)_(6)Br_(3)adopt a Kapellasite-type layer structure,which is isostructural to their chlorine analogue.Magnetic susceptibilities demonstrate that LnCu_(3)(OH)_(6)Br_(3)have strong antiferromagnetic coupling and a pronounced magnetic frustration effect.Magnetization measurements indicate canted antiferromagnetic ordering of Cu^(2+)ions around 16 K within the kagoméplane and weak ferromagnetic coupling.Moreover,shoulder-like anomalies in specific heat around 16 K could be a signature of emergent of magnetic ordering.The low-temperature negative magnetization and specific heat of LnCu_(3)(OH)_(6)Br_(3)(Ln=Nd,Sm,and Eu)indicate that Ln^(3+)ions induce more exotic magnetic ground state properties.

Interface engineering yields efficient perovskite light-emitting diodes

Metal-halide perovskites(MHPs)have emerged as a new class of semiconductors used in perovskite solar cells(PSCs)[1-5],perovskite light-emitting diodes(PeLEDs)[6-12],photo/X-ray detectors[13-16],and memristors[17,18].Pe LEDs can emit different light with high purity[19,20].

Electronic Instability of Kagome Metal CsV_(3)Sb_(5) in the 2×2×2 Charge Density Wave State

Recently discovered kagome metals AV_(3)Sb_(5)(A=K,Rb,and Cs)provide an ideal platform to study the correlation among nontrivial band topology,unconventional charge density wave(CDW),and superconductivity.The evolution of electronic structures associated with the change of lattice modulations is crucial for understanding of the CDW mechanism,with the combination of angle-resolved photoemission spectroscopy(ARPES)measurements and density functional theory calculations,we investigate how band dispersions change with the increase of lattice distortions.In particular,we focus on the electronic states around M point,where the van Hove singularities are expected to play crucial roles in the CDW transition.Previous ARPES studies reported a spectral weight splitting of the van Hove singularity around M point,which is associated with the 3D lattice modulations.Our studies reveal that this“splitting”can be connected to the two van Hove singularities at k_(z)=0 and k_(z)=π/c in the normal states.When the electronic system enters into the CDW state,both van Hove singularities move down.Such novel properties are important for understanding of the CDW transition.

High-magnetic-field induced charge order in high-T_c cuprate superconductors

In the last few years, charge order and its entanglement with superconductivity are under hot debate in high-Tc community due to the new progress on charge order in high-Tc cuprate superconductors YBa2Cu3O6+x. Here, we will briefly introduce the experimental status of this field and mainly focus on the experimental progress of high-field nuclear magnetic resonance(NMR) study on charge order in YBa2Cu3O6+x. The pioneering high-field NMR work in YBa2Cu3O6+x sets a new stage for studying charge order which has become a ubiquitous phenomenon in high-Tc cuprate superconductors.

Atomically thin α-In2Se3: an emergent two-dimensional room temperature ferroelectric semiconductor

Room temperature ferroelectric thin films are the key element of high-density nonvolatile memories in modern electronics. However, with the further miniaturization of the electronic devices beyond the Moore’s law, conventional ferroelectrics suffer great challenge arising from the critical thickness effect, where the ferroelectricity is unstable if the film thickness is reduced to nanometer or single atomic layer limit. Two-dimensional(2D) materials, thanks to their stable layered structure, saturate interfacial chemistry, weak interlayer couplings, and the benefit of preparing stable ultra-thin film at 2D limit, are promising for exploring 2D ferroelectricity and related device applications. Therefore, it provides an effective approach to overcome the limitation in conventional ferroelectrics with the study of 2D ferroelectricity in van der Waals(vdW) materials. In this review article,we briefly introduce recent progresses on 2D ferroelectricity in layered vdW materials. We will highlight the study on atomically thin α-In2Se3, which is an emergent ferroelectric semiconductor with the coupled in-plane and out-of-plane ferroelectricity. Furthermore, two prototype ferroelectric devices based on ferroelectric α-In2Se3 will also be reviewed.

Maximum Thermodynamic Electrical Efficiency of Fuel Cell System and Results for Hydrogen,Methane,and Propane Fuels

The maximum electrical efficiency of fuel cell system,ηe^max,is important for the understanding and development of the fuel cell technology.Attempt is made to build a theory forηe^max by considering the energy requirement of heating the fuel and air streams to the fuel cell operating temperature T.A general thermodynamic analysis is performed and the energy balances for the overall operating processes of a fuel cell system are established.Explicit expressions for the determination ofηe^max are deduced.Unlike the Carnot efficiency,ηmax e is found to be fuel specific.Except for hydrogen fuel,chemical equilibrium calculations are necessary to computeηe^max.Analytical solutions for the chemical equilibrium of alkane fuels are presented.The theoretical model is used to analyze the effects of T and the steam contents of CH4,C3H8,and H2 onηe^max for systems with various degrees of waste heat recovery.Contrary to the common perception concerning methane and propane fuels,ηe^max decreases substantially with the increase of T.Moreover,ηe^max of hydrogen fuel can be higher than that of methane and propane fuels for a system with a medium level of waste heat recovery and operated at 700℃≤T≤900℃.

Current-dependent positive magnetoresistance in La_(0.8)Ba_(0.2)MnO_(3)ultrathin films

We report an investigation into the magnetoresistance(MR)of La_(0.8)Ba_(0.2)MnO_(3)ultrathin films with various thicknesses.While the 13 nm-thick film shows the commonly reported negative magnetoresistive effect,the 6 nm-and 4 nm-thick films display unconventional positive magnetoresistive(PMR)behavior under certain conditions.As well as the dependence on the film's thickness,it has been found that the electrical resistivity and the PMR effect of the thinner films are very dependent on the test current.For example,the magnetoresistive ratio of the 4 nm-thick film changes from+46%to-37%when the current is increased from 10 nA to 100 nA under 15 kOe at 40 K.In addition,the two thinner films present opposite changes in electrical resistivity with respect to the test current,i.e.,the electroresistive(ER)effect,at low temperatures.We discuss the complex magnetoresistive and ER behaviors by taking account of the weak contacts at grain boundaries between ferromagnetic metallic(FMM)grains.The PMR effect can be attributed to the breaking of the weak contacts due to the giant magnetostriction of the FMM grains under a magnetic field.Considering the competing effects of the conductive filament and local Joule self-heating at grain boundaries on the transport properties,the dissimilar ER effects in the two thinner films are also understandable.These experimental findings provide an additional approach for tuning the magnetoresistive effect in manganite films.

Pressure tuning of the anomalous Hall effect in the kagome superconductor CsV_(3)Sb_(5)

Controlling the anomalous Hall effect(AHE)inspires potential applications of quantum materials in the next generation of electronics.The recently discovered quasi-2D kagome superconductor CsV_(3)Sb_(5) exhibits large AHE accompanying with the charge-density-wave(CDW)order which provides us an ideal platform to study the interplay among nontrivial band topology,CDW,and unconventional superconductivity.Here,we systematically investigated the pressure effect of the AHE in CsV_(3)Sb_(5).Our high-pressure transport measurements confirm the concurrence of AHE and CDW in the compressed CsV_(3)Sb_(5).Remarkably,distinct from the negative AHE at ambient pressure,a positive anomalous Hall resistivity sets in below 35 K with pressure around 0.75 GPa,which can be attributed to the Fermi surface reconstruction and/or Fermi energy shift in the new CDW phase under pressure.Our work indicates that the anomalous Hall effect in CsV_(3)Sb_(5) is tunable and highly related to the band structure.

Au@SiO2 @CuInS2–ZnS/Anti-AFP fluorescent probe improves HCC cell labeling

Background: Clear tumor imaging is essential to the resection of hepatocellular carcinoma(HCC). This study aimed to create a novel biological probe to improve the HCC imaging. Methods: Au nano-flower particles and CuInS2 –Zn S core-shell quantum dots were synthesized by hydrothermal method. Au was coated with porous SiO2 and combined with anti-AFP antibody. HCC cell line HepG2 was used to evaluate the targeting efficacy of the probe, while flow cytometry and MTT assay were used to detect the cytotoxicity and bio-compatibility of the probe. Probes were subcutaneously injected to nude mice to explore light intensity and tissue penetration. Results: The fluorescence stability of the probe was maintained 100% for 24 h, and the brightness value was 4 times stronger than that of the corresponding CuInS2 –Zn S quantum dot. In the targeting experiment, the labeled HepG2 emitted yellow fluorescence. In the cytotoxicity experiments, MTT and flow cytometry results showed that the bio-compatibility of the probe was fine, the inhibition rate of HepG2 cell with 60% Cu-QDs/Anti-AFP probe and Au-QDs/Anti-AFP probe solution for 48 h were significantly different(86.3%±7.0% vs. 4.9%±1.3%, t = 19.745, P < 0.05), and the apoptosis rates were 83.3%±5.1% vs. 4.4%±0.8%( P < 0.001). In the animal experiment, the luminescence of the novel probe can penetrate the abdominal tissues of a mouse, stronger than that of CuInS2 –ZnS quantum dot. Conclusions: The Au@SiO2 @CuInS2 –ZnS/Anti-AFP probe can targetedly recognize and label HepG2 cells with good bio-compatibility and no toxicity, and the strong tissue penetrability of luminescence may be helpful to surgeons.

Metal substrates-induced phase transformation of monolayer transition metal dichalcogenides for hydrogen evolution catalysis

Monolayer transition metal dichalcogenides can normally exist in several structural polymorphs with distinct electrical,optical,and catalytic properties.Effective control of the relative stability and transformation of different phases in these materials is thus of critical importance for applications.Using density functional theory calculations,we investigate the effects of low-work-function metal substrates including Ti,Zr,and Hf on the structural,electronic,and catalytic properties of monolayer MoS_(2) and WS_(2).The results indicate that such substrates not only convert the energetically stable structure from the 1H phase to the 1T'/1T phase,but also significantly reduce the kinetic barriers of the phase transformation.Furthermore,our calculations also indicate that the 1T' phase of MoS_(2) with Zr or Hf substrate is a potential catalyst for the hydrogen evolution reaction.

Revealing the A1g-type strain effect on superconductivity and nematicity in FeSe thin flake

The driving mechanism of nematicity and its twist with superconductivity in iron-based superconductors are still under debate.Recently,a dominant B1g-type strain effect on superconductivity is observed in underdoped iron-pnictides superconductors Ba(Fe_(1-x)Co_(x))_(2)As_(2),suggesting a strong interplay between nematicity and superconductivity.Since the long-range spin order is absent in FeSe superconductor,whether a similar strain effect could be also observed or not is an interesting question.Here,by utilizing a flexible film as substrate,we successfully achieve a wide-range-strain tuning of FeSe thin flake,in which both the tensile and compressive strain could reach up to~0.7%,and systematically study the strain effect on both superconducting and nematic transition(T_(c)and Ts)in the FeSe thin flake.Our results reveal a predominant A1g-type strain effect on T_(c).Meanwhile,Ts exhibits a monotonic anti-correlation with T_(c)and the maximum T_(c)reaches to 12 K when Ts is strongly suppressed under the maximum compressive strain.Finally,in comparison with the results in the underdoped Ba(Fe_(1-x)Co_(x))_(2)As_(2),the absence of B1g-type strain effect in FeSe further supports the role of stripe-type spin fluctuations on superconductivity.In addition,our work also supports that the orbital degree of freedom plays a key role to drive the nematic transition in FeSe.

Surface-induced orbital-selective band reconstruction in kagome superconductor CsV_(3)Sb_(5)

The two-dimensional(2 D)kagome superconductor Cs V_(3)Sb_(5) has attracted much recent attention due to the coexistence of superconductivity,charge orders,topology and kagome physics,which manifest themselves as distinct electronic structures in both bulk and surface states of the material.An interesting next step is to manipulate the electronic states in this system.Here,we report angle-resolved photoemission spectroscopy(ARPES)evidence for a surface-induced orbitalselective band reconstruction in Cs V_(3)Sb_(5).A significant energy shift of the electron-like band aroundΓand a moderate energy shift of the hole-like band around M are observed as a function of time.This evolution is reproduced in a much shorter time scale by in-situ annealing of the Cs V_(3)Sb_(5) sample.Orbital-resolved density functional theory(DFT)calculations reveal that the momentum-dependent band reconstruction is associated with different orbitals for the bands aroundΓand M,and the time-dependent evolution points to the change of sample surface that is likely caused by the formation of Cs vacancies on the surface.Our results indicate the possibility of orbital-selective control of the band structure via surface modification,which may open a new avenue for manipulating exotic phenomena in this material system,including superconductivity.

Low-temperature heat transport of the zigzag spin-chain compound SrEr_(2)O_(4)

Low-temperature thermal conductivity(κ),as well as the magnetic properties and specific heat,are studied for the frustrated zigzag spin-chain material Sr Er_(2)O_(4)by using single-crystal samples.The specific heat data indicate the longrange antiferromagnetic transition at~0.73 K and the existence of strong magnetic fluctuations.The magnetizations at very low temperatures for magnetic field along the c axis(spin chain direction)or the a axis reveal the field-induced magnetic transitions.Theκshows a strong dependence on magnetic field,applied along the c axis or the a axis,which is closely related to the magnetic transitions.Furthermore,high magnetic field induces a strong increase ofκ.These results indicate that thermal conductivity along either the c axis or the a axis are mainly contributed by phonons,while magnetic excitations play a role of scattering phonons.