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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

Controlled synthesis of one-dimensional segmented heteronanostructures

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Science China Materials 2024年第8期67卷 2715-2716页

作者： Zhiyong Tang CAS Key Laboratory of Nanosystem and Hierarchical Fabrication CAS Center for Excellence in NanoscienceNational Center for Nanoscience and TechnologyBeijing 100190China

Telluride materials possess distinctive advantages,including the high theoretical volume capacity and electrical conductivity,rendering them promising candidates for a range of energy storage and optoelectronic applications[1].Heterogeneous compositions and interfaces in heteronanostructures have significant implications on the electron transport,magnetic coupling,and phonon scattering,thereby promoting the performances in photocatalysis,and thermoelectrics[2].

关键词： synthesis rendering thereby

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Fabrication of micro-nano patterned materials mimicking the topological structure of extracellular matrix for biomedical applications

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Nano Research 2024年第5期17卷 4244-4258页

作者： Yifeng Nie Dong Han Xiang Li CAS center for excellence in Nanoscience National Center for Nanoscience and TechnologyBeijing 100190China School of Future Technology University of Chinese Academy of SciencesBeijing 100049China

With the advent of tissue engineering and biomedicine,the creation of extracellular matrix(ECM)biomaterials for in vitro applications has become a prominent and promising *** ECM materials provide physical,biochemical,and mechanical properties that guide cellular behaviors,such as proliferation,differentiation,migration,and *** micro-and nano-patterned materials have a unique surface topology and low energy replication process that directly affect cellular biological behaviors at the interface,the fabrication of micro-nano pattern biomaterials and the regulation of surface physical and chemical properties are of great significance in the fields of cell regulation,tissue engineering,and regenerative ***,we provide a comprehensive review of the progress in the fabrication and application of patterned materials based on the coupling of mechanical action at the micro-and nano-meter scale,including photolithography,micro-contact printing,electron beam lithography,electrospinning,and 3D printing ***,a summary of the fabrication process,underlying principles,as well as the advantages and disadvantages of various technologies are *** also discuss the influence of material properties on the fabrication of micro-and nano-patterns.

关键词： micro/nano hybrid materials patterning fabrication techniques extracellular matrix substrate-cell interaction biomedical engineering

Atomistic understanding of capacity loss in LiNiO_(2)for high-nickel Li-ion batteries:First-principles study

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Chinese Physics B 2024年第5期33卷 625-629页

作者：彭率陈丽娟何长春杨小宝 School of Physics and Optoelectronics South China University of TechnologyGuangzhou 510000China center of excellence for Advanced Materials Dongguan 523808China

Combining the first-principles calculations and structural enumeration with recognition,the delithiation process of LiNiO_(2)is investigated,where various supercell shapes are considered in order to obtain the formation energy of Li_(x)NiO_(2).Meanwhile,the voltage profile is simulated and the ordered phases of lithium vacancies corresponding to concentrations of 1/4,2/5,3/7,1/2,2/3,3/4,5/6,and 6/7 are *** understand the capacity decay in the experiment during the charge/discharge cycles,deoxygenation and Li/Ni antisite defects are calculated,revealing that the chains of oxygen vacancies will be energetically *** can be inferred that in the absence of oxygen atom in high delithiate state,the diffusion of Ni atoms is facilitated and the formation of Li/Ni antisite is induced.

关键词： Li-ion battery ground state formation energy oxygen vacancy Li/Ni antisite

Bias distribution and regulation in photoelectrochemical overall water-splitting cells

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National Science Review 2024年第4期11卷 141-150页

作者： Kun Dang Siqin Liu Lei Wu Daojian Tang Jing Xue Jiaming Wang Hongwei Ji Chuncheng Chen Yuchao Zhang Jincai Zhao Key Laboratory of Photochemistry CAS ResearchEducation Center for Excellence in Molecular Sciences Institute of Chemistry Chinese Academy of Sciences University of Chinese Academy of Sciences

The water oxidation half-reaction at anodes is always considered the rate-limiting step of overall water splitting（OWS）,but the actual bias distribution between photoanodes and cathodes of photoelectro chemical（PEC） OWS cells has not been investigated *** this work,we find that,for PEC cells consisting of photoanodes（nickel-modified n-Si [Ni/n-Si] and α-Fe2O3） with low photovoltage(Vph 1V,the bias required for cathode activation can be significantly reduced,exhibiting a kinetics-controlled *** investigations show that the bias distribution can be regulated by tuning the electrolyte pH and using alternative half-reaction ***,a volcano plot is presented for the rational design of the overall reactions and unbiased PEC *** by this,an unbiased PEC cell consisting of a simple Ni/n-Si photoanode and Pt cathode is assembled,delivering a photo current density of 5.3±0.2 mA cm-2.

关键词： photoelectrochemistry overall reaction cell bias distribution photoanode water splitting

Photoionisation detection of a single Er3+ ion with sub-100-ns time resolution

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National Science Review 2024年第4期11卷 38-45页

作者： Yangbo Zhang Wenda Fan Jiliang Yang Hao Guan Qi Zhang Xi Qin Changkui Duan Gabriele G.de Boo Brett C.Johnson Jeffrey C.Mc Callum Matthew J.Sellars Sven Rogge Chunming Yin Jiangfeng Du CAS Key Laboratory of Microscale Magnetic Resonance and School of Physical Sciences University of Science and Technology of China CAS center for excellence in Quantum Information and Quantum Physics University of Science and Technology of China Hefei National Laboratory University of Science and Technology of China Centre of excellence for Quantum Computation and Communication Technology School of Physics University of New South Wales Centre of excellence for Quantum Computation and Communication Technology School of Engineering RMIT University Centre of excellence for Quantum Computation and Communication Technology School of Physics University of Melbourne Centre of excellence for Quantum Computation and Communication Technology Research School of Physics and Engineering Australian National University

Efficient detection of single optical centres in solids is essential for quantum information processing, sensing and single-photon generation *** this work,we use radio-frequency（RF） reflectometry to electrically detect the photoionisation induced by a single Er3+ion in *** high bandwidth and sensitivity of the RF reflectometry provide sub-100-ns time resolution for the photoionisation *** this technique,the optically excited state lifetime of a single Er3+ion in a Si nano-transistor is measured for the first time to be 0.49±0.04μ*** results demonstrate an efficient approach for detecting a charge state change induced by Er excitation and *** approach could be used for fast readout of other single optical centres in solids and is attractive for large-scale integrated optical quantum systems thanks to the multi-channel RF reflectometry demonstrated with frequency multiplexing techniques.

关键词： single optical centres erbium ions RF reflectometry photoionisation detection

Understanding the corrosion and bio-corrosion behaviour of Magnesium composites – a critical review

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Journal of Magnesium and Alloys 2024年第3期12卷 890-939页

作者： Prithivirajan Sekar S.K.Panigrahi Department of Mechanical Engineering Indian Institute of Technology MadrasChennai600036India Applied Magnesium Research center Center of Excellence in Materials and Manufacturing for Futuristic MobilityIndian Institute of Technology MadrasChennai600036India

Realising the potential of Magnesium(Mg),several globally leading ventures have invested in the Mg industry,but their relatively poor corrosion resistance is a never ending saga till *** corrosion and bio-corrosion behaviour of Mg has gained research attention and still remains a hot topic in the application of automobile,aerospace and biomedical *** intrinsic high electrochemical nature of Mg limits their utilization in diverse *** scenario has prompted the development of Mg composites with an aim to achieve superior corrosion and bio-corrosion *** present review enlightens the influence of grain size(GS),secondary phase,texture,type of matrix and reinforcement on the corrosion and bio-corrosion behaviour of Mg ***,the corrosion and bio-corrosion behaviour of Mg composites manufactured by primary and secondary processing routes are ***,the comprehensive corrosion and bio-corrosion mechanisms of these Mg composites are ***,the individual role of GS,texture and corrosive medium on corrosion and bio-corrosion behaviour of Mg composites are clarified and *** challenges encountered,unanswered issues in this field are explained in detail and accordingly the scope for future research is *** review is presented from basic concrete background to advanced corrosion mechanisms with an aim of creating interest among the readers like students,researchers and industry experts from various research ***,the corrosion and bio-corrosion behaviour of Mg composites are critically reviewed for the first time to:(i)contribute to the body of knowledge,(ii)foster research and development,(iii)make breakthrough,and(iv)create life changing innovations in the field of Mg composite corrosion.

关键词： Corrosion Bio corrosion Magnesium alloys Magnesium composites Magnesium implants.

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

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

Chemical vapor deposition for perovskite solar cells and modules

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Journal of Semiconductors 2024年第4期45卷 1-4页

作者： Zhihao Tao Yuxuan Song Baochang Wang Guoqing Tong Liming Ding School of Materials Science and Engineering Hefei University of TechnologyHefei 230009China center for excellence in Nanoscience(CAS) Key Laboratory of Nanosystem and Hierarchical Fabrication(CAS)National Center for Nanoscience and TechnologyBeijing 100190China

Metal halide perovskites are promising materials for solar cells because of high power conversion efficiency(PCE),tun-able bandgap,high defect tolerance,long carrier diffusion length,and low-cost fabrication[1-7].The PCE for perovskite solar cells(PSCs)reaches 26.14%for single-junction cells,29.1%for perovskite/perovskite tandem cells and 33.9%for perovskite/silicon tandem cells,being comparable to that for silicon and other thin-film solar cells[8-10].Perovskite solar cells have been made by solution methods including spin-coat-ing,blade coating and printing[11,12].

关键词： perovskite blade film