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Progress in Natural Science:Materials International 2005年第9期15卷 832-837页

作者： LIU Zhilin1**, LIN Cheng1, LIU Yan1 and GUO Yanchang2(1. Department of Materials and Chemical Engineering, Liaoning Institute of Technology, Jinzhou 121001, China 2. The Technical Center of Benxi Iron and Steel Group Corporation, Benxi 117000, China) Department of Materials and Chemical Engineering Liaoning Institute of Technology Jinzhou 121001 China The Technical Center of Benxi Iron and Steel Group Corporation Benxi 117000 China

Based on the phase transformations and strengthening mechanisms during rolling, the strength increments Δσbunder different strengthening mechanisms are calculated with the covalent electron number nAof the strongest bond in phase cells of alloys and the interface electron density difference Δρ matching the interface stress in alloys. The calculation method of the finishing rolling yield strength is proposed, and it is integrated with the proposed calculation formulas of strength of non quenched-tempered steel. Therefore, the general formulas to simultaneously calculate both the finishing rolling strength and the yield strength of the continuous casting-rolling and non quenched-tempered steel are given. Taken the pipeline steel X70 as an example, the predictions of properties and technological parameters are performed before production or online.

关键词： electron structure non quenched-tempered steel yield strength prediction of properties.

The electron structure and photocatalytic activity of Ti(IV) doped Bi_2O_3

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Science China Chemistry 2011年第1期54卷 180-185页

作者： YIN LiFeng NIU JunFeng SHEN ZhenYao SUN Ying State Key Laboratory of Water Environment Simulation School of Environment Beijing Normal University Beijing 100875 China College of Science China Agricultural University Beijing 100193 China

Density functional theory （DFT） plays a significant role in the development of visible light responsive photocatalysts. Based on the first-principles plane-wave ultrasoft pseudopotential （USPP） method, the crystal structures of α,β,γ, and 5-Bi2O3 were optimally calculated for the total density of states （TDOS） and the partial density of states （PDOS） of Bi, O atoms. The calculation for Ti（IV） doped Bi2O3 supercell was carried out. The effects of Ti（IV）-doping on the electron structures and light absorption properties of various Bi2O3 were analyzed. The results showed that Ti 3d orbital appeared in the forbidden band of Bi2O3 and hybridized with O 2p, Bi 6p orbitals. The narrowed band gap （Eg） and red-shift of light absorption edge are responsible for the enhanced photoeatalytic activity of Bi2O3. The Ⅱ-Bi2O3 and Ti-doped β-Bi2O3 were prepared by a hydrotherrnal synthesis method. The improvement of the photoeatalytic activity of Bi2O3 has also been verified by the characteristics of the UV-vis diffuse reflection spectrum and the experimental evaluation of the photocatalytic degradation of crystal violet in aqueous solution.

关键词： Ti(IV) doping Bi2O3 electron structure visible light photocatalytic activity density functional theory

The electron structure and photocatalytic activity of Ti（IV） doped Bi2O3

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Science China Chemistry 2011年第1期 179-184页

作者： YIN LiFeng1,NIU JunFeng1,SHEN ZhenYao1 & SUN Ying2 1State Key Laboratory of Water Environment Simulation School of Environment,Beijing Normal University,Beijing 100875,China 2College of Science,China Agricultural University,Beijing 100193,China

Density functional theory (DFT) plays a significant role in the development of visible light responsive *** on the first-principles plane-wave ultrasoft pseudopotential (USPP) method,the crystal structures of α,β,γ,and δ-Bi2O3 were optimally calculated for the total density of states (TDOS) and the partial density of states (PDOS) of Bi,O *** calculation for Ti(IV) doped Bi2O3 supercell was carried *** effects of Ti(IV)-doping on the electron structures and light absorption properties of various Bi2O3 were *** results showed that Ti 3d orbital appeared in the forbidden band of Bi2O3 and hybridized with O 2p,Bi 6p *** narrowed band gap (Eg) and red-shift of light absorption edge are responsible for the enhanced photocatalytic activity of *** β-Bi2O3 and Ti-doped β-Bi2O3 were prepared by a hydrothermal synthesis *** improvement of the photocatalytic activity of Bi2O3 has also been verified by the characteristics of the UV-vis diffuse reflection spectrum and the experimental evaluation of the photocatalytic degradation of crystal violet in aqueous solution.

关键词： Ti(IV) doping Bi2O3 electron structure visible light photocatalytic activity density functional theory

electron Shape and structure: A New Vortex Theory

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Journal of High Energy Physics, Gravitation and Cosmology 2020年第3期6卷 340-352页

作者： Nader Butto Petah Tikva Israel

Along with all other quantum objects, an electron is partly a wave and partly a particle. The corpuscular properties of a particle are demonstrated when it is shown to have a localized position in space along its trajectory at any given moment. When an electron looks more like a particle it has no shape, “point particle”, according to the Standard Model, meaning that it interacts as if it is entirely located at a single point in space and does not spread out to fill a three-dimensional volume. Therefore, in the sense of particle-like interactions, an electron has no shape. In this paper, a new theory is proposed in which the electron has a structure and a shape. The central idea is that an electron is a frictionless vortex with conserved momentum made out of condensed vacuum generated in the Big Bang from massless virtual photons that acquire mass when moving in the vortex at the speed of light. Using Hydrodynamics laws and applying them on the superfluid vacuum the basic properties of the electron are described here forth. This study provides mathematical models to calculate the mass, kinetic energy, density, volume, time, charge, and particle-wave duality. Such mathematical formulations are presented to confirm the theory. We conclude that the shape of the electron is accessible to human imagination, knowing its shape helps to determine its properties and shed a light on how matter is made and to explain the interactions of sub-atomic particles.

关键词： electron structure Vortex Hydrodynamics Laws Vacuum Density

A New Unified Electro-Gravity Theory for the electron, and the Fundamental Origin of the Fine structure Constant and the Casimir Effect

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Journal of High Energy Physics, Gravitation and Cosmology 2021年第1期7卷 66-87页

作者： Nirod K. Das Department of Electrical and Computer Engineering Tandon School of Engineering New York University New York USA

A rigorous model for the electron is presented by generalizing the Coulomb’s Law or Gauss’s Law of electrostatics, using a unified theory of electricity and gravity. The permittivity of the free-space is allowed to be variable, dependent on the energy density associated with the electric field at a given location, employing generalized concepts of gravity and mass/energy density. The electric field becomes a non-linear function of the source charge, where the concept of the energy density needs to be properly defined. Stable solutions are derived for a spherically symmetric, surface-charge distribution of an elementary charge. This is implemented by assuming that the gravitational field and its equivalent permittivity function is proportional to the energy density, as a simple first-order approximation, with the constant of proportionality, referred to as the Unified Electro-Gravity (UEG) constant. The stable solution with the lowest mass/energy is assumed to represent a “static” electron without any spin. Further, assuming that the mass/energy of a static electron is half of the total mass/energy of an electron including its spin contribution, the required UEG constant is estimated. More fundamentally, the lowest stable mass of a static elementary charged particle, its associated classical radius, and the UEG constant are related to each other by a dimensionless constant, independent of any specific value of the charge or mass of the particle. This dimensionless constant is numerologically found to be closely related to the fine structure constant. This possible origin of the fine structure constant is further strengthened by applying the proposed theory to successfully model the Casimir effect, from which approximately the same above relationship between the UEG constant, electron’s mass and classical radius, and the fine structure constant, emerges.

关键词： electron structure Fine-structure Constant Casimir Effect Unified Electro-Gravity Theory

An electron Model Based on the Fine structure Constant

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Journal of Modern Physics 2023年第5期14卷 553-561页

作者： Arlen Young Independent Researcher Palo Alto CA USA

In previous publications, the author has proposed a model of the electron’s internal structure, wherein a positively-charged negative mass outer shell and a negatively-charged positive mass central core are proposed to resolve the electron’s charge and mass inconsistencies. That model is modified in this document by assuming the electron’s radius is exactly equal to the classical electron radius. The attributes of the internal components of the electron’s structure have been recalculated accordingly. The shape of the electron is also predicted, and found to be slightly aspherical on the order of an oblate ellipsoid. This shape is attributed to centrifugal force and compliant outer shell material. It is interesting to note that all of the electron’s attributes, both external and internal, with the exception of mass and angular moment, are functions of the fine structure constant a, and can be calculated from just three additional constants: electron mass, Planck’s constant, and speed of light. In particular, the ratios of the outer shell charge and mass to the electron charge and mass, respectively, are 3/2a. The ratios of the central core charge and mass to the electron charge and mass, respectively, are 1-(3/2a). Attributes of the electron are compared with those of the muon. Charge and spin angular momentum are the same, while mass, magnetic moment, and radius appear to be related by the fine structure constant. The mass of the electron outer shell is nearly equal to the mass of the muon. The muon internal structure can be modeled exactly the same as for the electron, with exactly the same attribute relationships.

关键词： Fine structure Constant Negative Mass electron Shape electron structure electron Mass Inconsistency electron Charge Inconsistency Muon

Engineering defects and adjusting electronic structure on S doped MoO2 nanosheets toward highly active hydrogen evolution reaction

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Nano Research 2020年第1期13卷 121-126页

作者： Shuo Geng Yequn Liu Yong Sheng Yu Weiwei Yang Haibo Li Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education Jilin Normal UniversityChangchun130103China MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin150001China Analytical Instrumentation Center State Key Laboratory of Coal ConversionInstitute of Coal ChemistryChinese Academy of SciencesTaiyuan030001China

The electrocatalytic hydrogen evolution reaction(HER)is one of the most promising ways for low-cost hydrogen production in the *** this work,hetero S atoms were introduced into the MoO2 to enhance the catalytic activity by simultaneously adjusting electron structure,engineering lattice defect,and increasing oxygen *** the S doped MoO2 nanosheets with proper S doping amount show the enhanced performance for *** optimized catalyst shows a small onset overpotential as low as 120 mV,a low overpotential of 176 mV at the current density of 10 mA/cm^2 which is decreased 166 mV compared to that of the pristine MoO2 nanosheets,a low Tafel slope of 57 mV/decade,and a high turnover frequency of 0.13 H2/s per active site at 150 *** finding proposes an effective strategy to prepare nonprecious metal oxide catalyst for enhancing HER performance by rationally doping hetero atoms.

关键词： S doping MoO2 defect electron structure charge transfer

Single MoTe_(2) sheet electrocatalytic microdevice for in situ revealing the activated basal plane sites by vacancies engineering

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Nano Research 2021年第12期14卷 4814-4821页

作者： Huan Yang Yinghe Zhao Qunlei Wen Yan Mi Youwen Liu Huiqiao Li Tianyou Zhai State Key Laboratory of Materials Processing and Die&Mould Technology and School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan430074China Guangxi Key Laboratory of Chemistry and Engineering of Forest Products and School of Chemistry and Chemical EngineeringGuangxi University for NationalitiesNanning530008China

Activating basal plane inert sites will endow MoTe_(2) with prominent hydrogen evolution reaction(HER)catalytic capability and arouse a new family of HER ***,we fabricated single MoTe_(2) sheet electrocatalytic microdevice for in situ revealing the activated basal plane sites by vacancies *** the extraction of electrical parameters of single MoTe_(2) sheet,the in-plane and interlayer conductivities were optimized effectively by Te vacancies due to the defect *** deeply,Te vacancies can induce the delocalization of electrons around Mo atoms and shift the d-band center,as a consequence,facilitate the adsorption of H from the catalyst surface for HER *** by the coordinated regulation of band structure and local charge density,the overpotential at−10 mA·cm^(−2)was reduced to 0.32 V after Te vacancies compared to 0.41 V for the basal plane sites of same MoTe_(2) ***,the insights gained from single nanosheet electrocatalytic microdevice can be applied to the improved HER of the commercial MoTe_(2) *** the in situ testing of the atomic structure-electrical behavior-electrochemical properties of a single nanosheet before/after vacancies introducing provides reliable insight to structure-activity relationships.

关键词： MoTe_(2) electrocatalytic microdevice hydrogen evolution reaction vacancies engineering electron structure

Recent advances in regulating the performance of acid oxygen reduction reaction on carbon-supported non-precious metal single atom catalysts

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Journal of Energy Chemistry 2023年第1期76卷 601-616,I0015页

作者： Yanqiu Wang Jiayu Hao Yang Liu Min Liu Kuang Sheng Yue Wang Jun Yang Jie Li Wenzhang Li School of Chemistry and Chemical Engineering Central South UniversityChangsha 410083HunanChina School of Physics and electronics Central South UniversityChangsha 410083HunanChina

Developing high performance and low-cost catalysts for oxygen reduction reaction(ORR)in challenging acid condition is vital for proton-exchange-membrane fuel cells(PEMFCs).Carbon-supported nonprecious metal single atom catalysts(SACs)have been identified as potential catalysts in the *** advance has been obtained in constructing diverse active sites of SACs for improving the performance and understanding the fundamental principles of regulating acid ORR ***,the ORR performance of SACs is still ***,microenvironment adjustment of SACs offers chance to promote the performance of acid *** this review,acid ORR mechanism,attenuation mechanism and performance improvement strategies of SACs are *** strategies for promoting ORR activity of SACs include the adjustment of center metal and its *** relationship of ORR performance and structure is discussed with the help of advanced experimental investigations and theoretical calculations,which will offer helpful direction for designing advanced SACs for ORR.

关键词： Oxygen reduction reaction Single atom catalysts Microenvironment of center metal Regulation of center metal atoms electron structure Proton-exchange-membrane fuel cells

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Interface structure of Ag(111)/SnO_(2)(200)composite material studied by density functional theory

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Science China(Technological Sciences) 2009年第5期52卷 1258-1263页

作者： FENG Jing CHEN JingChao XIAO Bing YU Jie Key Laboratory of Advanced Materials of Precious-Nonferrous Metals Ministry of Education of Chinaand Key Laboratory of Advanced Materials of Yunnan ProvinceKunming University of Science and TechnologyKunming 650093China School of Materials Science and Engineering Xi’an Jiaotong UniversityXi’an 710049China

Electric contact material of Ag/SnO2 was successfully synthesized by in situ process *** in-terface structure was characterized by high-resolution transmission electron microscopy(HTEM) and simulated at atomic scale on *** mean-square displacements of atoms near the interface were calculated,and the results showed that near the interface both Ag side and SnO2 were mis-matched and this effect decays rapidly far from the *** inspecting the calculated density of states(DOS),we found that the electric-conductivity of this composite material was decreased because of the localized 4d and 2p electrons of Ag and O near the Fermi surface,*** density changed acutely across the interface,so that there was no extra compound precipitated.A mi-cro-electric field also formed in the whole material due to the interface structure,and this may affect the electron conduction and the related electric-conductivity of the *** is found that the interface cohesive energy of Ag(111)/SnO2(200) was-3.50 J/m2,which is higher than the experimental results.

关键词： electric contact material reactive synthesis interface energy structure relaxation electron structure Ab initio

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