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Journal of Energy Chemistry 2024年第3期90卷 388-411,I0010页

作者： Mostafa Tarek Janaina S.Santos Victor Márquez Mohammad Fereidooni Mohammad Yazdanpanah Supareak Praserthdam Piyasan Praserthdam center of excellence on Catalysis and Catalytic Reaction engineering(CECC) Department of Chemical EngineeringFaculty of EngineeringChulalongkorn UniversityBangkok 10330Thailan High-Performance Computing Unit(CECC-HCU) Center of Excellence on Catalysis and Catalytic Reaction Engineering(CECC)Chulalongkorn UniversityBangkok 10330Thailand

Hydrogen sulfide(H_(2)S) not only presents significant environmental concerns but also induces severe corrosion in industrial equipment,even at low *** various technologies,the selective oxidation of hydrogen sulfide(SOH_(2)S) to elemental sulfur(S) has emerged as a sustainable and environmentally friendly *** to its unique properties,iron oxide has been extensively investigated as a catalyst for SOH_(2)S;however,rapid deactivation has remained a significant *** causes of iron oxide-based catalysts deactivation mechanisms in SOH_(2)S,including sulfur or sulfate deposition,the transformation of iron species,sintering and excessive oxygen vacancy formation,and active site loss,are thoroughly examined in this *** focusing on the deactivation mechanisms,this review aims to provide valuable insights into enhancing the stability and efficiency of iron-based catalysts for SOH_(2)S.

关键词： Selective oxidation of H_(2)S Iron-based Catalysts Mechanism of deactivation Sulfur or sulfate deposition Transformation of iron species Sintering SDG 7

Design and mechanical properties analysis of a cellular Waterbomb origami structure

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Theoretical & Applied Mechanics Letters 2024年第3期14卷 193-202页

作者： Yongtao Bai Zhaoyu Wang Yu Shi School of Civil engineering Chongqing UniversityChongqing 400045China Research center of Steel structure engineering Chongqing UniversityChongqing 400045China

Cellular structures are commonly used to design energy-absorbing structures,and origami structures are becominga prevalent method of cellular structure *** paper proposes a foldable cellular structure based on theWaterbomb origami *** geometrical configuration of this structure is ***-static compressiontests of the origami tube cell of this cellular structure are conducted,and load-displacement relationship curvesare *** simulations are carried out to analyze the effects of aspect ratio,folding angle,thicknessand number of layers of origami tubes on initial peak force and specific energy absorption(SEA).Calculationformulas for initial peak force and SEA are obtained by the multiple linear regression *** degree ofinfluence of each parameter on the mechanical properties of the single-layer tube cell is *** resultsshow that the cellular structure exhibits negative stiffness and periodic load-bearing capacity,as well as foldingangle has the most significant effect on the load-bearing and energy-absorbing *** adjusting the designparameters,the stiffness,load-bearing capacity and energy absorption capacity of this cellular structure can beadjusted,which shows the programmable mechanical properties of this cellular *** foldability andthe smooth periodic load-bearing capacity give the structure potential for application as an energy-absorbing structure.

关键词： Cellular structure Waterbomb origami Mechanical metamaterial Numerical simulation Energy absorption

Defect engineering of W^(6+)-doped NiO for high-performance black smart windows

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Nano Research 2024年第4期17卷 3043-3052页

作者： Yingjun Xiao Xiang Zhang Dukang Yan Jianbo Deng Mingjun Chen Hulin Zhang Wenhai Sun Jiupeng Zhao Yao Li School of Chemistry and Chemical engineering Harbin Institute of TechnologyHarbin 150001China center for Composite Materials and structure Harbin Institute of TechnologyHarbin 150001China

In this report,W^(6+)doping as a defect engineering strategy has been proposed to improve the electrochromic properties of NiO *** research was conducted to explore the electrochromic properties and the modified mechanism of W-doped NiO *** to the pure NiO,W-doped NiO film exhibits improved electrochromic properties with significant optical modulation(61.56%at 550 nm),fast switching speed(4.42 s/1.40 s for coloring/bleaching),high coloration efficiency(45.41 cm^(2)·C-1)and outstanding cycling stability(no significant attenuation after 2000 cycles)in Li-based *** functional theory(DFT)calculations combined with the experimental results indicate that the improved electrochromic properties were due to enhanced the electronic conductivity and ion conductivity after the introduction of W^(6+).The charge capacity of W-doped NiO has also been improved,and it can function with WO_(3) to achieve a high performance black electrochromic smart window(ECSW)by balancing *** work could advance the fundamental understanding of defect engineering as an effective strategy to boost the electrochromic properties of NiO anodic material,manifesting a significant development as a candidate counter electrode in high-performance black smart windows.

关键词： NiO defect engineering charge balance black electrochromic windows

Spin-polarized pairing induced by the magnetic field in the Bernal bilayer graphene

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Chinese Physics B 2024年第4期33卷 650-654页

作者：黄妍周涛 Guangdong Basic Research center of excellence for structure and Fundamental Interactions of Matter Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum MaterialsSchool of PhysicsGuangdong-Hong Kong Joint Laboratory of Quantum Matterand Frontier Research Institute for PhysicsSouth China Normal UniversityGuangzhou 510006China

Recent experimental findings have demonstrated the occurrence of superconductivity in Bernal bilayer graphene when induced by a magnetic *** this study,we conduct a theoretical investigation of the potential pairing symmetry within this superconducting *** developing a theoretical model,we primarily calculate the free energy of the system with p+ip-wave parallel spin pairing,p+ip-wave anti-parallel spin pairing and d+i d-wave pairing *** results confirm that the magnetic field is indeed essential for generating the *** discover that the p+ip-wave parallel spin pairing leads to a lower free energy for the *** numerical calculations of the energy band structure,zero-energy spectral function and density of states for each of the three pairing symmetries under consideration show a strong consistency with the free energy results.

关键词： superconductivity magnetic field induction pairing symmetry Bernal bilayer graphene

Fundamentals and progress of the manifold method based on independent covers

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Science China(Technological Sciences) 2024年第4期67卷 966-991页

作者： SU HaiDong LIN ShaoZhong XIE ZhiQiang GONG YaQi QI YongFeng Material and engineering structure Department Yangtze River Scientific Research InstituteWuhan 430010China Research center of Water engineering Safety and Disaster Prevention of Ministry of Water Resources Wuhan 430010China

Aiming to solve mesh generation,computational stability,accuracy control,and other problems encountered with existing numerical methods,such as the finite element method and the finite volume method,a new numerical computational method for continuum mechanics,namely the manifold method based on independent covers(MMIC),is proposed based on the concept of mathematical manifolds,to form partitioned series solutions of partial differential *** partitions,the cover meshes have the characteristics of arbitrary shape,arbitrary connection,and arbitrary *** are expected to fundamentally solve the mesh generation problem and can also simulate the precise geometric boundaries of the CAD model and strictly impose boundary *** the selection of series solutions,local analytical solutions(such as series solutions at crack tips and series solutions in infinite domains)or proper forms of complete series can be used to reflect the local or global characteristics of the physical field to accelerate *** applications are presented.A new method of beam,plate,and shell analysis is *** deformation characteristics of beams,plates,and shells are simulated with polynomial series of suitable forms,and the analysis of curved beams and shells with accurate geometric representation is *** the static elastic analysis of two-dimensional structures,a mesh splitting algorithm is proposed,and h-p version adaptive analysis is carried out with error ***,automatic computation integrated with CAD is *** analysis is also attempted for the solution of differential equations of *** the one-dimensional convection-diffusion equation and Burgers equation,calculation results with high precision are obtained in strong convection and shock wave simulations,avoiding nonphysical *** solving the two-dimensional incompressible Navier-Stokes equation is also *** series solution formula is used to o

关键词： series solutions mesh generation adaptive analysis fixed meshes numerical manifold method

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Variational quantum algorithms for scanning the complex spectrum of non-Hermitian systems

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Frontiers of physics 2024年第4期19卷 275-285页

作者： Xu-Dan Xie Zheng-Yuan Xue Dan-Bo Zhang Key Laboratory of Atomic and Subatomic structure and Quantum Control(Ministry of Education) Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matterand School of PhysicsSouth China Normal UniversityGuangzhou 510006China Guangdong Provincial Key Laboratory of Quantum engineering and Quantum Materials Guangdong–Hong Kong Joint Laboratory of Quantum Matterand Frontier Research Institute for PhysicsSouth China Normal UniversityGuangzhou 510006China

Solving non-Hermitian quantum many-body systems on a quantum computer by minimizing the variational energy is challenging as the energy can be ***,we propose a variational quantum algorithm for solving the non-Hermitian Hamiltonian by minimizing a type of energy variance,where zero variance can naturally determine the eigenvalues and the associated left and right ***,the energy is set as a parameter in the cost function and can be tuned to scan the whole spectrum efficiently by using a two-step optimization *** numerical simulations,we demonstrate the algorithm for preparing the left and right eigenstates,verifying the biorthogonal relations,as well as evaluating the *** also investigate the impact of quantum noise on our algorithm and show that its performance can be largely improved using error mitigation ***,our work suggests an avenue for solving non-Hermitian quantum many-body systems with variational quantum algorithms on near-term noisy quantum computers.

关键词： quantum algorithm non-Hermitian physics quantum manybody systems

Flexible planar micro supercapacitor diode

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Journal of Energy Chemistry 2024年第6期93卷 429-435,I0011页

作者： Yihui Ma Pei Tang Zhenyuan Miao Wuyang Tan Qijun Wang Yuecong Chen Guosheng Li Qingyun Dou Xingbin Yan Lingling Shui Guangdong Basic Research center of excellence for structure and Fundamental Interactions of Matter Guangdong Provincial Key Laboratory of Nanophotonic Functional Materials and DevicesSchool of Information and Optoelectronic Science and Engineering&South China Academy of Advanced OptoelectronicsGuangzhou 510006GuangdongChina Department of Materials Science and engineering Sun Yat-Sen UniversityGuangzhou 510275GuangdongChina College of Materials Science and engineering Guilin University of TechnologyGuilin 541004GuangxiChina

Supercapacitor diode is a novel ion device that performs both supercapacitor energy storage and ion diode rectification ***,previously reported devices are limited by their large size and complex *** this work,we demonstrate a screen-printed micro supercapacitor diode(MCAPode)that based on the insertion of a finger mode with spinel ZnCo_(2)O_(4) as cathode and activated carbon as anode for the first time,and featuring an excellent area specific capacitance(1.21 mF cm^(-2)at 10 mV s^(-1))and high rectification characteristics(rectification ratioⅠof 11.99 at 40 mV s^(-1)).Taking advantage of the ionic gel electrolyte,which provides excellent stability during repeated flexing and at high *** addition,MCAPode exhibits excellent electrochemical performance and rectification capability in"AND"and"OR"logic *** findings provide practical solutions for future expansion of micro supercapacitor diode applications.

关键词： Micro devices Supercapacitor diodes Screen-printing Rectification Logic gates

Optimal Shape Factor and Fictitious Radius in the MQ-RBF:Solving Ill-Posed Laplacian Problems

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Computer Modeling in engineering & Sciences 2024年第6期139卷 3189-3208页

作者： Chein-Shan Liu Chung-Lun Kuo Chih-Wen Chang center of excellence for Ocean engineering Taiwan Ocean UniversityKeelung202301TaiwanChina Department of Mechanical engineering National United UniversityMiaoli36063TaiwanChina

To solve the Laplacian problems,we adopt a meshless method with the multiquadric radial basis function(MQRBF)as a basis whose center is distributed inside a circle with a fictitious radius.A maximal projection technique is developed to identify the optimal shape factor and fictitious radius by minimizing a merit function.A sample function is interpolated by theMQ-RBF to provide a trial coefficient vector to compute the merit *** can quickly determine the optimal values of the parameters within a preferred rage using the golden section search *** novel method provides the optimal values of parameters and,hence,an optimal MQ-RBF;the performance of the method is validated in numerical ***,nonharmonic problems are transformed to the Poisson equation endowed with a homogeneous boundary condition;this can overcome the problem of these problems being *** optimal MQ-RBF is extremely *** further propose a novel optimal polynomial method to solve the nonharmonic problems,which achieves high precision up to an order of 10^(−11).

关键词： Laplace equation nonharmonic boundary value problem Ill-posed problem maximal projection optimal shape factor and fictitious radius optimal MQ-RBF optimal polynomial method

Highly Accurate Golden Section Search Algorithms and Fictitious Time Integration Method for Solving Nonlinear Eigenvalue Problems

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Computer Modeling in engineering & Sciences 2024年第5期139卷 1317-1335页

作者： Chein-Shan Liu Jian-Hung Shen Chung-Lun Kuo Yung-Wei Chen center of excellence for Ocean engineering Taiwan Ocean UniversityKeelung202301TaiwanChina Department of Marine engineering Taiwan Ocean UniversityKeelung202301TaiwanChina

This study sets up two new merit functions,which are minimized for the detection of real eigenvalue and complex eigenvalue to address nonlinear eigenvalue *** each eigen-parameter the vector variable is solved from a nonhomogeneous linear system obtained by reducing the number of eigen-equation one less,where one of the nonzero components of the eigenvector is normalized to the unit and moves the column containing that component to the right-hand side as a nonzero input vector.1D and 2D golden section search algorithms are employed to minimize the merit functions to locate real and complex ***,the real and complex eigenvectors can be computed very accurately.A simpler approach to the nonlinear eigenvalue problems is proposed,which implements a normalization condition for the uniqueness of the eigenvector into the eigenequation *** real eigenvalues can be computed by the fictitious time integration method(FTIM),which saves computational costs compared to the one-dimensional golden section search algorithm(1D GSSA).The simpler method is also combined with the Newton iterationmethod,which is convergent very *** the proposed methods are easily programmed to compute the eigenvalue and eigenvector with high accuracy and efficiency.

关键词： Nonlinear eigenvalue problem quadratic eigenvalue problem two new merit functions golden section search algorithm fictitious time integration method

Constructing a biofunctionalized 3D-printed gelatin/sodium alginate/chitosan tri-polymer complex scaffold with improvised biological andmechanical properties for bone-tissue engineering

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Bio-Design and Manufacturing 2024年第1期7卷 57-73页

作者： Amit Kumar Singh Krishna Pramanik Amit Biswas Centre of excellence in Tissue engineering Department of Biotechnology and Medical EngineeringNational Institute of TechnologyRourkela 769008India

Sodium alginate(SA)/chitosan(CH)polyelectrolyte scaffold is a suitable substrate for tissue-engineering *** present study deals with further improvement in the tensile strength and biological properties of this type of scaffold to make it a potential template for bone-tissue *** experimented with adding 0%–15%(volume fraction)gelatin(GE),a protein-based biopolymer known to promote cell adhesion,proliferation,and *** resulting tri-polymer complex was used as bioink to fabricate SA/CH/GEmatrices by three-dimensional(3D)*** studies using scanning electron microscopy revealed the microfibrous porous architecture of all the structures,which had a pore size range of 383–419μm.X-ray diffraction and Fourier-transform infrared spectroscopy analyses revealed the amorphous nature of the scaffold and the strong electrostatic interactions among the functional groups of the polymers,thereby forming polyelectrolyte complexes which were found to improve mechanical properties and structural *** scaffolds exhibited a desirable degradation rate,controlled swelling,and hydrophilic characteristics which are favorable for bone-tissue *** tensile strength improved from(386±15)to(693±15)kPa due to the increased stiffness of SA/CH scaffolds upon addition of *** enhanced protein adsorption and in vitro bioactivity(forming an apatite layer)confirmed the ability of the SA/CH/GE scaffold to offer higher cellular adhesion and a bone-like environment to cells during the process of tissue *** vitro biological evaluation including the MTT assay,confocal microscopy analysis,and alizarin red S assay showed a significant increase in cell attachment,cell viability,and cell proliferation,which further improved biomineralization over the scaffold *** addition,SA/CH containing 15%gelatin designated as SA/CH/GE15 showed superior performance to the other fabricated 3D structures,demonstrating its pote

关键词： Scaffold Biomaterial Sodium alginate Chitosan Gelatin 3D printing Tissue engineering