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Strategic comparison of membrane-assisted and membrane-less water electrolyzers and their potential application in direct seawater splitting(DSS)
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作者 Abdul Malek Xu Lu +2 位作者 Paul R.Shearing Dan J.L.Brett Guanjie He 《Green Energy & Environment》 SCIE EI CAS CSCD 2023年第4期989-1005,共17页
Electrocatalytic splitting of water by means of renewable energy as the electricity supply is one of the most promising methods for storing green renewable energy as hydrogen. Although two-thirds of the earth’s surfa... Electrocatalytic splitting of water by means of renewable energy as the electricity supply is one of the most promising methods for storing green renewable energy as hydrogen. Although two-thirds of the earth’s surface is covered with water, there is inadequacy of freshwater in most parts of the world. Hence, splitting seawater instead of freshwater could be a truly sustainable alternative. However, direct seawater splitting faces challenges because of the complex composition of seawater. The composition, and hence, the local chemistry of seawater may vary depending on its origin, and in most cases, tracking of the side reactions and standardizing and customizing the catalytic process will be an extra challenge. The corrosion of catalysts and competitive side reactions due to the presence of various inorganic and organic pollutants create challenges for developing stable electro-catalysts. Hence, seawater splitting generally involves a two-step process, i.e., purification of seawater using reverse osmosis and then subsequent fresh water splitting. However, this demands two separate chambers and larger space, and increases complexity of the reactor design. Recently, there have been efforts to directly split seawater without the reverse osmosis step. Herein, we represent the most recent innovative approaches to avoid the two-step process, and compare the potential application of membrane-assisted and membrane-less electrolyzers in direct seawater splitting(DSS). We particularly discuss the device engineering, and propose a novel electrolyzer design strategies for concentration gradient based membrane-less microfluidic electrolyzer. 展开更多
关键词 Electrocatalytic seawater splitting Direct seawater splitting Osmosis Concentration cells Membrane-less electrolyzer Microfluidic electrolyzer
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Electronically modulated d-band centers of MOF-derived carbon-supported Ru/HfO_(2) for oxygen reduction and aqueous/flexible zinc-air batteries
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作者 Chuan Hu Fengli Wei +4 位作者 Qinrui Liang Qiming Peng Yuting Yang Tayirjan Taylor Isimjan Xiulin Yang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第5期247-255,I0007,共10页
The construction of oxide/metal composite catalysts is a competent means of exploiting the electronic interactions between oxide/metal to enhance catalytic activity.In this work,we construct a novel heterogeneous comp... The construction of oxide/metal composite catalysts is a competent means of exploiting the electronic interactions between oxide/metal to enhance catalytic activity.In this work,we construct a novel heterogeneous composite(Ru/HfO_(2)-NC)with Ru/HfO2nanoparticles nested in nitrogen-doped porous carbon via a zeolitic imidazole frameworks-assisted(ZIF)co-precipitation and calcination approach.In particular,ZIF guides an in-situ construction of nested configuration and confines the scattered nanoparticles.Strikingly,Ru/HfO_(2)-NC exhibits unusual ORR activity,superb durability,and methanol tolerance in0.1 M KOH solution with high half-wave potential(E1/2)of 0.83 V and follows a near-4e-reaction pathway.Additionally,the ZAB assembled with cathodic Ru/HfO_(2)-NC outputs a power density of 157.3 m W cm^(-2),a specific capacity of 775 mA h g-1Zn,and a prolonged lifespan of 258 h at 5 mA cm^(-2).Meanwhile,the catalyst has demonstrated potential applicability in flexible ZAB.As suggested by experimental results and density functional theory(DFT)analysis,the remarkable property possibly originated from the optimization of the adsorption and desorption of reactive intermediates caused by the reconfiguration of the electronic structure between Ru and HfO_(2). 展开更多
关键词 Ru/HfO_(2) Charge interaction Oxygen vacancy Oxygen reduction Zinc-air battery
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Valence electronic engineering of superhydrophilic Dy-evoked Ni-MOF outperforming RuO_(2) for highly efficient electrocatalytic oxygen evolution
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作者 Zhiyang Huang Miao Liao +6 位作者 Shifan Zhang Lixia Wang Mingcheng Gao Zuyang Luo Tayirjan Taylor Isimjan Bao Wang Xiulin Yang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第3期244-252,I0007,共10页
Tackling the problem of poor conductivity and catalytic stability of pristine metal-organic frameworks(MOFs) is crucial to improve their oxygen evolution reaction(OER) performance.Herein,we introduce a novel strategy ... Tackling the problem of poor conductivity and catalytic stability of pristine metal-organic frameworks(MOFs) is crucial to improve their oxygen evolution reaction(OER) performance.Herein,we introduce a novel strategy of dysprosium(Dy) doping,using the unique 4f orbitals of this rare earth element to enhance electrocatalytic activity of MOFs.Our method involves constructing Dy-doped Ni-MOF(Dy@Ni-MOF) nanoneedles on carbon cloth via a Dy-induced valence electronic perturbation approach.Experiments and density functional theory(DFT) calculations reveal that Dy doping can effectively modify the electronic structure of the Ni active centers and foster a strong electronic interaction between Ni and Dy.The resulting benefits include a reduced work function and a closer proximity of the d-band center to the Fermi level,which is conducive to improving electrical conductivity and promoting the adsorption of oxygen-containing intermediates.Furthermore,the Dy@Ni-MOF achieves superhydrophilicity,ensuring effective electrolyte contact and thus accelerating reaction kinetics,Ex-situ and in-situ analysis results manifest Dy_(2)O_(3)/NiOOH as the actual active species.Therefore,Dy@Ni-MOF shows impressive OER performance,significantly surpassing Ni-MOF.Besides,the overall water splitting device with Dy@NiMOF as an anode delivers a low cell voltage of 1.51 V at 10 mA cm^(-2) and demonstrates long-term stability for 100 h,positioning it as a promising substitute for precious metal catalysts. 展开更多
关键词 Dy@Ni-MOF Dy incorporation Electronic interaction SUPERHYDROPHILICITY Oxygen evolution reaction
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Enabling heterogeneous catalysis to achieve carbon neutrality: Directional catalytic conversion of CO_(2) into carboxylic acids
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作者 Xiaofei Zhang Wenhuan Huang +4 位作者 Le Yu Max García-Melchor Dingsheng Wang Linjie Zhi Huabin Zhang 《Carbon Energy》 SCIE EI CAS CSCD 2024年第3期1-35,共35页
The increase in anthropogenic carbon dioxide(CO_(2))emissions has exacerbated the deterioration of the global environment,which should be controlled to achieve carbon neutrality.Central to the core goal of achieving c... The increase in anthropogenic carbon dioxide(CO_(2))emissions has exacerbated the deterioration of the global environment,which should be controlled to achieve carbon neutrality.Central to the core goal of achieving carbon neutrality is the utilization of CO_(2) under economic and sustainable conditions.Recently,the strong need for carbon neutrality has led to a proliferation of studies on the direct conversion of CO_(2) into carboxylic acids,which can effectively alleviate CO_(2) emissions and create high-value chemicals.The purpose of this review is to present the application prospects of carboxylic acids and the basic principles of CO_(2) conversion into carboxylic acids through photo-,electric-,and thermal catalysis.Special attention is focused on the regulation strategy of the activity of abundant catalysts at the molecular level,inspiring the preparation of high-performance catalysts.In addition,theoretical calculations,advanced technologies,and numerous typical examples are introduced to elaborate on the corresponding process and influencing factors of catalytic activity.Finally,challenges and prospects are provided for the future development of this field.It is hoped that this review will contribute to a deeper understanding of the conversion of CO_(2) into carboxylic acids and inspire more innovative breakthroughs. 展开更多
关键词 carbon neutrality carboxylic acids CO_(2)conversion heterogeneous catalyst in situ technology
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Boosting Fischer-Tropsch Synthesis via Tuning of N Dopants in TiO_(2)@CN-Supported Ru Catalysts
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作者 Xincheng Li Yunhao Liu +10 位作者 Dejian Zhao Shuaishuai Lyu Jingwei Ye Xiaoshen Li Peipei Wu Ye Tian Yingtian Zhang Tong Ding Song Song Qingpeng Cheng Xingang Li 《Transactions of Tianjin University》 EI CAS 2024年第1期90-102,共13页
Nitrogen(N)-doped carbon materials as metal catalyst supports have attracted signifi cant attention,but the eff ect of N dopants on catalytic performance remains unclear,especially for complex reaction processes such ... Nitrogen(N)-doped carbon materials as metal catalyst supports have attracted signifi cant attention,but the eff ect of N dopants on catalytic performance remains unclear,especially for complex reaction processes such as Fischer-Tropsch synthesis(FTS).Herein,we engineered ruthenium(Ru)FTS catalysts supported on N-doped carbon overlayers on TiO_(2)nanoparticles.By regulating the carbonization temperatures,we successfully controlled the types and contents of N dopants to identify their impacts on metal-support interactions(MSI).Our fi ndings revealed that N dopants establish a favorable surface environment for electron transfer from the support to the Ru species.Moreover,pyridinic N demonstrates the highest electron-donating ability,followed by pyrrolic N and graphitic N.In addition to realizing excellent catalytic stability,strengthening the interaction between Ru sites and N dopants increases the Ru^(0)/Ru^(δ+)ratios to enlarge the active site numbers and surface electron density of Ru species to enhance the strength of adsorbed CO.Consequently,it improves the catalyst’s overall performance,encompassing intrinsic and apparent activities,as well as its ability for carbon chain growth.Accordingly,the as-synthesized Ru/TiO_(2)@CN-700 catalyst with abundant pyridine N dopants exhibits a superhigh C_(5+)time yield of 219.4 mol CO/(mol Ru·h)and C_(5+)selectivity of 85.5%. 展开更多
关键词 Fischer-Tropsch synthesis N-doped carbon materials Ruthenium catalyst Pyridinic N Metal-N interaction
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Growth behavior and electronic properties of Ge_(n+1) and AsGe_n(n = 1–20) clusters: a DFT study 被引量:3
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作者 M.Benaida K.E.Aiadi +3 位作者 S.Mahtout S.Djaadi W.Rammal M.Harb 《Journal of Semiconductors》 EI CAS CSCD 2019年第3期9-17,共9页
We present a systematic computational study based on the density functional theory(DFT) aiming to high light the possible effects of one As doping atom on the structural, energetic, and electronic properties of differ... We present a systematic computational study based on the density functional theory(DFT) aiming to high light the possible effects of one As doping atom on the structural, energetic, and electronic properties of different isomers of Ge_(n+1) clusters with n = 1–20 atoms. By considering a large number of structures for each cluster size, the lowest-energy isomers are determined. The lowest-energy isomers reveal three-dimensional structures starting from n = 5. Their relative stability versus atomic size is examined based on the calculated binding energy, fragmentation energy, and second-order difference of energy. Doping Ge_(n+1) clusters with one As atom does not improve their stability. The electronic properties as a function of the atomic size are also discussed from the calculated HOMO–LUMO energy gap, vertical ionization potential, vertical electron affinity, and chemical hardness. The obtained results are significantly affected by the inclusion of one As atom into a Gen cluster. 展开更多
关键词 density FUNCTIONAL theory As–Ge CLUSTERS structural PROPERTIES ELECTRONIC PROPERTIES
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Deep-ultraviolet integrated photonic and optoelectronic devices:A prospect of the hybridization of group Ⅲ–nitrides, Ⅲ–oxides,and two-dimensional materials 被引量:2
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作者 Nasir Alfaraj Jung-Wook Min +6 位作者 Chun Hong Kang Abdullah A.Alatawi Davide Priante Ram Chandra Subedi Malleswararao Tangi Tien Khee Ng Boon S.Ooi 《Journal of Semiconductors》 EI CAS CSCD 2019年第12期11-58,共48页
Progress in the design and fabrication of ultraviolet and deep-ultraviolet groupⅢ–nitride optoelectronic devices,based on aluminum gallium nitride and boron nitride and their alloys,and the heterogeneous integration... Progress in the design and fabrication of ultraviolet and deep-ultraviolet groupⅢ–nitride optoelectronic devices,based on aluminum gallium nitride and boron nitride and their alloys,and the heterogeneous integration with two-dimensional and oxide-based materials is reviewed.We emphasize wide-bandgap nitride compound semiconductors(i.e.,(B,Al,Ga)N)as the deep-ultraviolet materials of interest,and two-dimensional materials,namely graphene,two-dimensional boron nitride,and two-dimensional transition metal dichalcogenides,along with gallium oxide,as the hybrid integrated materials.We examine their crystallographic properties and elaborate on the challenges that hinder the realization of efficient and reliable ultraviolet and deep-ultraviolet devices.In this article we provide an overview of aluminum nitride,sapphire,and gallium oxide as platforms for deep-ultraviolet optoelectronic devices,in which we criticize the status of sapphire as a platform for efficient deep-ultraviolet devices and detail advancements in device growth and fabrication on aluminum nitride and gallium oxide substrates.A critical review of the current status of deep-ultraviolet light emission and detection materials and devices is provided. 展开更多
关键词 deep-ultraviolet ULTRAVIOLET PHOTONICS OPTOELECTRONICS hybrid
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A Hybrid Local/Nonlocal Continuum Mechanics Modeling and Simulation of Fracture in Brittle Materials
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作者 Yongwei Wang Fei Han Gilles Lubineau 《Computer Modeling in Engineering & Sciences》 SCIE EI 2019年第11期399-423,共25页
Classical continuum mechanics which leads to a local continuum model,encounters challenges when the discontinuity appears,while peridynamics that falls into the category of nonlocal continuum mechanics suffers from a ... Classical continuum mechanics which leads to a local continuum model,encounters challenges when the discontinuity appears,while peridynamics that falls into the category of nonlocal continuum mechanics suffers from a high computational cost.A hybrid model coupling classical continuum mechanics with peridynamics can avoid both disadvantages.This paper describes the hybrid model and its adaptive coupling approach which dynamically updates the coupling domains according to crack propagations for brittle materials.Then this hybrid local/nonlocal continuum model is applied to fracture simulation.Some numerical examples like a plate with a hole,Brazilian disk,notched plate and beam,are performed for verification and validation.In addition,a peridynamic software is introduced,which was recently developed for the simulation of the hybrid local/nonlocal continuum model. 展开更多
关键词 PERIDYNAMICS HYBRID model adaptive coupling FRACTURE simulation MORPHING function numerical DISCRETIZATION
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Synthesis and Immobilization of Polystyrene-b-Polyvinyltriethoxysilane Micelles
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作者 朱赛赛 ZHU Hui +8 位作者 夏茹 FENG Xiaoshuang CHEN Peng QIAN Jiasheng CAO Ming YANG Bin MIAO Jibin SU Lifen SONG Changjiang 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2018年第1期221-225,共5页
Diblock copolymers polystyrene-block-polyvinyltriethoxysilane(PS-b-PVTES) were synthesized via atom transfer radical polymerization(ATRP), which self-assembled into spherical micelles in solvent of THF-methanol mixtur... Diblock copolymers polystyrene-block-polyvinyltriethoxysilane(PS-b-PVTES) were synthesized via atom transfer radical polymerization(ATRP), which self-assembled into spherical micelles in solvent of THF-methanol mixtures. The self-assembled micelles were immobilized by cross-linking reaction of VTES in a shell layer of micelles. The chemical structures of block copolymers and morphology of micelles were characterized in detail. It was found that the size of immobilized micelles was strongly affected by the copolymer concentration, composition of mixture solvent, and block ratios. 展开更多
关键词 微粒 合成 混合溶剂 共聚物 原子转移 化学结构 THF 混合物
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Delicate surface vacancies engineering of Ru doped MOF-derived Ni-NiO@C hollow microsphere superstructure to achieve outstanding hydrogen oxidation performance
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作者 Yuting Yang Yi Huang +4 位作者 Shuqing Zhou Yi Liu Luyan Shi Tayirjan Taylor Isimjan Xiulin Yang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第9期395-404,I0011,共11页
Surface vacancy defects,as the bridge between theoretical structural study and the design of heterogenous catalysts,have captured much attention.This work develops a metal-organic framework-engaged replacement-pyrolys... Surface vacancy defects,as the bridge between theoretical structural study and the design of heterogenous catalysts,have captured much attention.This work develops a metal-organic framework-engaged replacement-pyrolysis approach to obtain highly dispersed Ru nanoparticles immobilized on the vacancy-rich Ni-NiO@C hollow microsphere(Ru/Ni-NiO@C).Fine annealing at 400°C introduces nickel and oxygen vacancies on Ru/Ni-NiO@C surface,resulting in an improved electrical conductivity and rapid mass-charge transfer efficiency.Ru/Ni-NiO@C with a hollow micro/nanostructure and interconnected meso-porosity favors the maximal exposure of abundant active sites and elevation of hydrogen oxidation reaction(HOR)activity.Experimental results and density functional theory(DFT)calculations reveal that an electronic effect between Ru and Ni-NiO@C,in conjunction with nickel/oxygen vacancies in the NiO species could synergistically optimize hydrogen binding energy(HBE)and hydroxide binding energy(OHBE).The HBE and OHBE optimizations thus created confer Ru/Ni-NiO@C with a mass activity over 7.75 times higher than commercial Pt/C.Our work may provide a constructive route to make a breakthrough in elevating the hydrogen electrocatalytic performance. 展开更多
关键词 Ru/Ni-NiO@C Vacancy defects Electrocatalysis Metal-organic framework Hydrogen oxidation
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Interface engineering of porous Fe^(2)P-WO_(2.92) catalyst with oxygen vacancies for highly active and stable large-current oxygen evolution and overall water splitting
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作者 Qimin Peng Qiuting He +3 位作者 Yan Hu Tayirjan Taylor Isimjan Ruobing Hou Xiulin Yang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第2期574-582,共9页
Constructing a low cost,and high-efficiency oxygen evolution reaction(OER)electrocatalyst is of great significance for improving the performance of alkaline electrolyzer,which is still suffering from highenergy consum... Constructing a low cost,and high-efficiency oxygen evolution reaction(OER)electrocatalyst is of great significance for improving the performance of alkaline electrolyzer,which is still suffering from highenergy consumption.Herein,we created a porous iron phosphide and tungsten oxide self-supporting electrocatalyst with oxygen-containing vacancies on foam nickel(Fe_(2)P-WO_(2.92)/NF)through a facile insitu growth,etching and phosphating strategies.The sequence-controllable strategy will not only generate oxygen vacancies and improve the charge transfer between Fe_(2)P and WO_(2.92) components,but also improve the catalyst porosity and expose more active sites.Electrochemical studies illustrate that the Fe_(2)P-WO_(2.92)/NF catalyst presents good OER activity with a low overpotential of 267 mV at 100 mA cm^(-2),a small Tafel slope of 46.3 mV dec^(-1),high electrical conductivity,and reliable stability at high current density(100 mA cm^(-2) for over 60 h in 1.0 M KOH solution).Most significantly,the operating cell voltage of Fe_(2)P-WO_(2.92)/NF‖Pt/C is as low as 1.90 V at 400 mA cm^(-2) in alkaline condition,which is one of the lowest reported in the literature.The electrocatalytic mechanism shows that the oxygen vacancies and the synergy between Fe_(2)P and WO_(2.92) can adjust the electronic structure and provide more reaction sites,thereby synergistically increasing OER activity.This work provides a feasible strategy to fabricate high-efficiency and stable non-noble metal OER electrocatalysts on the engineering interface. 展开更多
关键词 Fe^(2)P-WO_(2.92) Interface engineering Oxygen vacancy Oxygen evolution Overall water splitting
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Defect Engineering of Disordered Carbon Anodes with Ultra-High Heteroatom Doping Through a Supermolecule-Mediated Strategy for Potassium-Ion Hybrid Capacitors
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作者 Lei Zhao Shirong Sun +7 位作者 Jinxin Lin Lei Zhong Liheng Chen Jing Guo Jian Yin Husam N.Alshareef Xueqing Qiu Wenli Zhang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第3期248-265,共18页
Amorphous carbons are promising anodes for high-rate potassium-ion batteries.Most low-temperature annealed amorphous carbons display unsatisfactory capacities.Heteroatom-induced defect engineering of amorphous carbons... Amorphous carbons are promising anodes for high-rate potassium-ion batteries.Most low-temperature annealed amorphous carbons display unsatisfactory capacities.Heteroatom-induced defect engineering of amorphous carbons could enhance their reversible capacities.Nevertheless,most lignocellulose biomasses lack heteroatoms,making it a challenge to design highly heteroatom-doped carbons(>10 at%).Herein,we report a new preparation strategy for amorphous carbon anodes.Nitrogen/sulfur co-doped lignin-derived porous carbons(NSLPC)with ultra-high nitrogen doping levels(21.6 at%of N and 0.8 at%of S)from renewable lignin biomacromolecule precursors were prepared through a supramolecule-mediated pyrolysis strategy.This supermolecule/lignin composite decomposes forming a covalently bonded graphitic carbon/amorphous carbon intermediate product,which induces the formation of high heteroatom doping in the obtained NSLPC.This unique pyrolysis chemistry and high heteroatom doping of NSLPC enable abundant defective active sites for the adsorption of K+and improved kinetics.The NSLPC anode delivered a high reversible capacity of 419 mAh g^(-1)and superior cycling stability(capacity retention of 96.6%at 1 A g^(-1)for 1000 cycles).Potassiumion hybrid capacitors assembled by NSLPC anode exhibited excellent cycling stability(91%capacity retention for 2000 cycles)and a high energy density of 71 Wh kg^(-1)at a power density of 92 W kg^(-1). 展开更多
关键词 Defect HETEROATOM Active sites SUPRAMOLECULE Potassium-ion hybrid capacitors
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Experimental Investigation of the Early Stage of Precipitation on Binary Al-Li, Al-Cu Alloys and Ternary Al-Li-Cu Alloys by Means of Atom Probe Tomography
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作者 Muna Khushaim Torben Boll 《Open Journal of Metal》 2016年第2期25-44,共20页
Aluminum-based alloys play a key role in modern engineering and are widely used in construction components in aircraft, automobiles and other means of transportation due to their light weight and superior mechanical p... Aluminum-based alloys play a key role in modern engineering and are widely used in construction components in aircraft, automobiles and other means of transportation due to their light weight and superior mechanical properties. Introduction of different nano-structure features can improve the service and the physical properties of such alloys. An improvement of an Al-based alloy has been performed based on the understanding of the relationships among compositions, processing, microstructural characteristics and properties. Knowledge of the decomposition process of the microstructure during the precipitation reaction is particularly important for future technical developments. The objective of this study is to investigate the nano-scale chemical composition in the Al-Cu, Al-Li and Al-Li-Cu alloys during the early stage of the precipitation sequence and to describe whether this compositional difference correlates with variations in the observed precipitation kinetics. Investigation of the fine scale segregation effects of dilute solutes in aluminum alloys which were experienced different heat treatments by using atom probe tomography has been achieved. The results show that an Al-1.7 at.% Cu alloy requires a long ageing time of approximately 8 h at 160°C to allow the diffusion of Cu atoms into Al matrix. For the Al-8.2 at.% Li alloy, a combination of both the natural ageing condition (48 h at room temperature) and a short artificial ageing condition (5 min at 160°C) induces increasing on the number density of the Li clusters and hence increase number of precipitated particles. Applying this combination of natural ageing and short artificial ageing conditions onto the ternary Al-4 at.% Li-1.7 at.% Cu alloy induces the formation of a Cu-rich phase. Increasing the Li content in the ternary alloy up to 8 at.% and increasing the ageing time to 30 min resulted in the precipitation processes ending with δ' particles. Thus the results contribute to the understanding of Al-alloy design. 展开更多
关键词 Phase Decomposition Atom Probe Tomography Early Stage of Precipitation
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Synthesis and Characterization of Mass Produced High Quality Few Layered Graphene Sheets via a Chemical Method
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作者 Mohammed Khenfouch U.Buttner +1 位作者 Mimouna Baitoul Malik Maaza 《Graphene》 2014年第2期7-13,共7页
Graphene is a two-dimensional crystal of carbon atoms arranged in a honeycomb lattice. It is a zero band gap semimetal with very unique physical and chemical properties which make it useful for many applications such ... Graphene is a two-dimensional crystal of carbon atoms arranged in a honeycomb lattice. It is a zero band gap semimetal with very unique physical and chemical properties which make it useful for many applications such as ultra-high-speed field-effect transistors, p-n junction diodes, terahertz oscillators, and low-noise electronic, NEMS and sensors. When the high quality mass production of this nanomaterial is still a big challenge, we developed a process which will be an important step to achieve this goal. Atomic Force Microscopy, Scanning Electron Microscopy, Scanning tunneling microscopy, High Resolution Transmission Electron Microscopy, X-Ray Diffraction, Raman spectroscopy, Energy Dispersive X-ray system were investigated to characterize and examine the quality of this product. 展开更多
关键词 GRAPHENE POWDER Hummers
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Review of deep learning algorithms in molecular simulations and perspective applications on petroleum engineering
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作者 Jie Liu Tao Zhang Shuyu Sun 《Geoscience Frontiers》 SCIE CAS CSCD 2024年第2期55-67,共13页
In the last few decades,deep learning(DL)has afforded solutions to macroscopic problems in petroleum engineering,but mechanistic problems at the microscale have not benefited from it.Mechanism studies have been the st... In the last few decades,deep learning(DL)has afforded solutions to macroscopic problems in petroleum engineering,but mechanistic problems at the microscale have not benefited from it.Mechanism studies have been the strong demands for the emerging projects,such as the gas storage and hydrate production,and for some problems encountered in the storage process,which are common found as the chemical interaction between injected gas and mineral,and the formation of hydrate.Emerging advances in DL technology enable solving molecular dynamics(MD)with quantum accuracy.The conventional quantum chemical method is computational expensive,whereas the classical MD method cannot guarantee high accuracy because of its empirical force field parameters.With the help of the DL force field,precision at the quantum chemistry level can be achieved in MD.Moreover,the DL force field promotes the computational speed compared with first-principles calculations.In this review,the basic knowledge of the molecular force field and deep neural network(DNN)is first introduced.Then,three representative opensource packages relevant to the DL force field are introduced.As the most common components in the development of oil and gas reservoirs,water and methane are studied from the aspects of computational efficiency and chemical reaction respectively,providing the foundation of oil and gas researches.However,in the oil and gas problems,the complex molecular topo structures and various element types set a high challenge for the DL techniques in MD.Regarding the computational efficiency,it needs improvement via GPU and parallel accelerations to compete with classical MD.Even with such difficulties,the booming of this technique in the area of petroleum engineering can be predictable. 展开更多
关键词 Deep neural network Molecular dynamics Force field Petroleum engineering
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Review on research and development of oxy-coal burner for carbon capture
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作者 GUO JunJun LIU JingZhang +4 位作者 ZHANG Tai HU Fan LI PengFei LIU ZhaoHui ZHENG ChuGuang 《Science China(Technological Sciences)》 SCIE EI CAS CSCD 2024年第3期647-672,共26页
In the past two decades, the oxy-fuel combustion of pulverized coal has been extensively developed, leading to the completion of several large industrial pilot oxy-fuel plants worldwide. Various types of oxy-fuel burn... In the past two decades, the oxy-fuel combustion of pulverized coal has been extensively developed, leading to the completion of several large industrial pilot oxy-fuel plants worldwide. Various types of oxy-fuel burners have been designed and tested in largescale pilot plants as key components of oxy-fuel combustion. These burners face major challenges in terms of their flame stability because of their decreasing stream momentum ratio and increasing carbon dioxide concentration. However, it offers flexibility in adjusting the oxygen concentration in each burner stream. This study aims to provide a comprehensive review of the state-of-the-art knowledge on oxy-coal burner design and operation in power plants. First, the combustion characteristics under oxy-fuel conditions are briefly introduced. Subsequently, the principal requirements and fundamental parameters of the oxy-coal burners are discussed. The development process of oxy-fuel burners is also presented. Moreover, a compatible design strategy and scaling-up techniques are described for oxy-coal burners developed by the authors over the past ten years. The performances of oxy-coal burners in three large pilot oxy-fuel plants worldwide are summarized and compared. Finally, concluding remarks are provided and potential research needs are suggested. 展开更多
关键词 carbon capture oxy-fuel combustion oxy-fuel burner pulverized coal compatible design
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Photophysics and electrochemistry relevant to photocatalytic water splitting involved at solid–electrolyte interfaces 被引量:3
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作者 Tatsuya Shinagawa Zhen Cao +1 位作者 Luigi Cavallo Kazuhiro Takanabe 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2017年第2期259-269,共11页
Direct photon to chemical energy conversion using semiconductor–electrocatalyst–electrolyte interfaces has been extensively investigated for more than a half century. Many studies have focused on screening materials... Direct photon to chemical energy conversion using semiconductor–electrocatalyst–electrolyte interfaces has been extensively investigated for more than a half century. Many studies have focused on screening materials for efficient photocatalysis. Photocatalytic efficiency has been improved during this period but is not sufficient for industrial commercialization. Detailed elucidation on the photocatalytic water splitting process leads to consecutive six reaction steps with the fundamental parameters involved: The photocatalysis is initiated involving photophysics derived from various semiconductor properties(1: photon absorption, 2: exciton separation). The generated charge carriers need to be transferred to surfaces effectively utilizing the interfaces(3: carrier diffusion, 4: carrier transport). Consequently, electrocatalysis finishes the process by producing products on the surface(5: catalytic efficiency, 6: mass transfer of reactants and products). Successful photocatalytic water splitting requires the enhancement of efficiency at each stage. Most critically, a fundamental understanding of the interfacial phenomena is highly desired for establishing "photocatalysis by design" concepts, where the kinetic bottleneck within a process is identified by further improving the specific properties of photocatalytic materials as opposed to blind material screening. Theoretical modeling using the identified quantitative parameters can effectively predict the theoretically attainable photon-conversion yields. This article provides an overview of the state-of-the-art theoretical understanding of interfacial problems mainly developed in our laboratory.Photocatalytic water splitting(especially hydrogen evolution on metal surfaces) was selected as a topic,and the photophysical and electrochemical processes that occur at semiconductor–metal, semiconductor–electrolyte and metal–electrolyte interfaces are discussed. 展开更多
关键词 PHOTOCATALYSIS Interface Water splitting Modeling ELECTROCATALYSIS Hydrogen evolution
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One-step synthesis of graphitic-C_3N_4/ZnS composites for enhanced supercapacitor performance 被引量:2
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作者 Binbin Wei Hanfeng Liang +3 位作者 Rongrong Wang Dongfang Zhang Zhengbing Qi Zhoucheng Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2018年第2期472-477,共6页
A series of graphitic-C_3N_4/ZnS(g-C_3N_4/ZnS) supercapacitor electrode materials have been prepared via a one-step calcination process of zinc acetate/thiourea with different mass ratios under nitrogen atmosphere. Th... A series of graphitic-C_3N_4/ZnS(g-C_3N_4/ZnS) supercapacitor electrode materials have been prepared via a one-step calcination process of zinc acetate/thiourea with different mass ratios under nitrogen atmosphere. The optimized g-C_3N_4/ZnS composite shows a highest specific capacitance of 497.7 F/g at 1 A/g and good cycling stability with capacitance retention of 80.4% at 5 A/g after 1000 cycles. Moreover, gC_3N4/ZnS composites display an improved supercapacitor performance in terms of specific capacitance compared to the pure g-C_3N_4 and ZnS. In addition, our designed symmetric supercapacitor device based on g-C_3N_4/ZnS composite electrodes can exhibit an energy density of 10.4 Wh/kg at a power density of 187.3 W/kg. As a result, g-C_3N_4/ZnS composites are expected to be a prospective material for supercapacitors and other energy storage applications. 展开更多
关键词 合成 性能 电极材料 力密度 电容 稳定性 ZNS 表演
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Tuning the electronic structure of the earth-abundant electrocatalysts for oxygen evolution reaction(OER)to achieve efficient alkaline water splitting-A review 被引量:3
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作者 Mohammed-Ibrahim Jamesh Moussab Harb 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第5期299-342,共44页
Tuning the electronic structure of the electrocatalysts for oxygen evolution reaction(OER)is a promising way to achieve efficient alkaline water splitting for clean energy production(H2).At first,this paper introduces... Tuning the electronic structure of the electrocatalysts for oxygen evolution reaction(OER)is a promising way to achieve efficient alkaline water splitting for clean energy production(H2).At first,this paper introduces the significance of the tuning of electronic structure,where modifying the electronic structure of the electrocatalysts could generate active sites having optimal adsorption energy with OER intermediates,and that could diminish the energy barrier for OER,and that could improve the activity for OER.Later,this paper reviews the tuning of electronic structure along with catalytic performances,synthetic methodologies,chemical properties,and DFT calculations on various nanostructured earth-abundant electrocatalysts for OER in alkaline environment.Further,this review discusses the tuning of the electronic structure of the several nanostructured earth-abundant electrocatalysts including oxide,(oxy)hydroxide,layered double hydroxide,alloy,metal phosphide/phosphate,nitride,sulfide,selenide,carbon containing materials,MOF,core-shell/hetero/hollow structured materials,and materials with vacancies/defects for OER in alkaline environment(including activity:overpotential(η)of ≤200 mV at10 m A cm^(-2);stability:≥100 h;durability:≥5000 cycles).Then,this review discusses the robust stability of the electrocatalysts for OER towards practical application.Moreover,this review discusses the in situ formation of thin layer on the catalyst surface during OER.In addition,this review discusses the influence of the adsorption energy of the OER intermediates on OER performance of the catalysts.Finally,this review summarizes the various promising strategies for tuning the electronic structure of the electrocatalysts to achieve enhanced performance for OER in alkaline environment. 展开更多
关键词 OER electrocatalyst Electrochemical water splitting Earth abundant electrocatalyst Hydrogen energy
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Passivation agent with dipole moment for surface modification towards efficient and stable perovskite solar cells 被引量:1
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作者 Ge Wang Chen Wang +5 位作者 Yajun Gao Shanpeng Wen Roderick C.I.MacKenzie Liuxing Guo Wei Dong Shengping Ruan 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第1期55-61,I0003,共8页
Recently,there has been renewed interest in interface engineering as a means to further push the performance of perovskite solar cells closer to the Schockly-Queisser limit.Herein,for the first time we employ a multi-... Recently,there has been renewed interest in interface engineering as a means to further push the performance of perovskite solar cells closer to the Schockly-Queisser limit.Herein,for the first time we employ a multi-functional 4-chlorobenzoic acid to produce a self-assembled monolayer on a perovskite surface.With this interlayer we observe passivation of perovskite surface defects and a significant suppression of non-radiative charge recombination.Furthermore,at the surface of the interlayer we observe,charge dipoles which tune the energy level alignment,enabling a larger energetic driving force for hole extraction.The perovskite surface becomes more hydrophilic due to the presence of the interlayer.Consequently,we observe an improvement in open-circuit voltage from 1.08 to 1.16 V,a power conversion efficiency improvement from 18%to 21%and an improved stability under ambient conditions.Our work highlights the potential of SAMs to engineer the photo-electronic properties and stability of perovskite interfaces to achieve high-performance light harvesting devices. 展开更多
关键词 4-Chlorobenzoic acid Interface engineering PASSIVATION Surface dipole Perovskite solar cells
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