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Experimental and computational optimization of Prussian blue analogues as high-performance cathodes for sodium-ion batteries:A review

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Journal of Energy Chemistry 2024年第6期93卷 627-662,I0015页

作者： Gwangeon Oh Junghoon Kim Shivam Kansara hyokyeong Kang Hun-Gi Jung Yang-Kook sun jang-Yeon Hwang Department of Energy Engineering Hanyang UniversitySeoul 04763Republic of Korea Energy Storage Research Center Clean Energy Research DivisionKorea Institute of Science and TechnologySeoul 02792Republic of Korea Department of Energy Science Sungkyunkwan UniversitySuwon 16419Republic of Korea KIST-SKKU Carbon-Neutral Research Center Sungkyunkwan UniversitySuwon 16419Republic of Korea Department of Battery Engineering Hanyang UniversitySeoul 04763Republic of Korea

In this review,we discuss the electrochemical properties of Prussian blue(PB)for Na^(+)storage by combining structural engineering and electrolyte modifications.We integrated experimental data and density functional theory(DFT)in sodium-ion battery(SIB)research to refine the atomic arrangements and crystal lattices and introduce substitutions and dopants.These changes affect the lattice stability,intercalation,electronic and ionic conductivities,and electrochemical performance.We unraveled the intricate structure-electrochemical behavior relationship by combining experimental data with computational models,including first-principles calculations.This holistic approach identified techniques for optimizing PB and Prussian blue analog(PBA)structu ral properties for SIBs.We also discuss the tuning of electrolytes by systematically adjusting their composition,concentration,and additives using a combination of molecular dynamics(MD)simulations and DFT computations.Our review offers a comprehensive assessment of strategies for enhancing the electrochemical properties of PB and PBAs through structural engineering and electrolyte modifications,combining experimental insights with advanced computational simulations,and paving the way for next-generation energy storage systems.

关键词： Prussian blue analogs(PBAs) Sodium ion batteries(SIBs) Structural engineering Electrolyte modifications Experiments Density functional theory(DFT)

A review of understanding electrocatalytic reactions in energy conversion and energy storage systems via scanning electrochemical microscopy

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Journal of Energy Chemistry 2024年第4期91卷 155-177页

作者： Jihye Park Jong Hwan Lim Jin-Hyuk Kang Jiheon Lim Ho Won jang Hosun Shin sun Hwa Park Interdisciplinary Materials Measurement Institute Korea Research Institute of Standards and ScienceDaejeon 34113Republic of Korea Department of Material Science and Engineering Seoul National UniversitySeoul 08826Republic of Korea Department of Applied Measurement Science University of Science and TechnologyDaejeon 34113Republic of Korea

To address climate change and promote environmental sustainability,electrochemical energy conversion and storage systems emerge as promising alternative to fossil fuels,catering to the escalating demand for energy.Achieving optimal energy efficiency and cost competitiveness in these systems requires the strategic design of electrocatalysts,coupled with a thorough comprehension of the underlying mechanisms and degradation behavior occurring during the electrocatalysis processes.Scanning electrochemical microscopy(SECM),an analytical technique for studying surface electrochemically,stands out as a powerful tool offering electrochemical insights.It possesses remarkable spatiotemporal resolution,enabling the visualization of the localized electrochemical activity and surface topography.This review compiles crucial research findings and recent breakthroughs in electrocatalytic processes utilizing the SECM methodology,specifically focusing on applications in electrolysis,fuel cells,and metal–oxygen batteries within the realm of energy conversion and storage systems.Commencing with an overview of each energy system,the review introduces the fundamental principles of SECM,and aiming to provide new perspectives and broadening the scope of applied research by describing the major research categories within SECM.

关键词： Scanning electrochemical microscopy Electrocatalyst Electrocatalysis Water splitting Fuel cell Metal-oxygen battery

Towards high-performance and robust anion exchange membranes(AEMs)for water electrolysis:Super-acid-catalyzed synthesis of AEMs

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Journal of Energy Chemistry 2024年第6期93卷 478-510,I0012页

作者： Geun Woong Ryoo sun Hwa Park Ki Chang Kwon Jong Hun Kang Ho Won jang Min Sang Kwon Department of Materials Science and Engineering Research Institute of Advanced Materials(RIAM)Seoul National UniversitySeoul 08826Republic of Korea Interdisciplinary Materials Measurement Institute Korea Research Institute of Standards and Science(KRISS)Daejeon 34113Republic of Korea Department of Chemical and Biological Engineering and Institute of Chemical ProcessSeoul National UniversitySeoul 08826Republic of Korea Department of Applied Measurement Science University of Science and TechnologyDaejeon 34113Republic of Korea

The increasing demand for hydrogen energy to address environmental issues and achieve carbon neutrality has elevated interest in green hydrogen production,which does not rely on fossil fuels.Among various hydrogen production technologies,anion exchange membrane water electrolyzer(AEMWE)has emerged as a next-generation technology known for its high hydrogen production efficiency and its ability to use non-metal catalysts.However,this technology faces significant challenges,particularly in terms of the membrane durability and low ionic conductivity.To address these challenges,research efforts have focused on developing membranes with a new backbone structure and anion exchange groups to enhance durability and ionic conductivity.Notably,the super-acid-catalyzed condensation(SACC)synthesis method stands out due to its user convenience,the ability to create high molecular weight(MW)polymers,and the use of oxygen-tolerant organic catalysts.Although the synthesis of anion exchange membranes(AEMs)using the SACC method began in 2015,and despite growing interest in this synthesis approach,there remains a scarcity of review papers focusing on AEMs synthesized using the SACC method.The review covers the basics of SACC synthesis,presents various polymers synthesized using this method,and summarizes the development of these polymers,particularly their building blocks including aryl,ketone,and anion exchange groups.We systematically describe the effects of changes in the molecular structure of each polymer component,conducted by various research groups,on the mechanical properties,conductivity,and operational stability of the membrane.This review will provide insights into the development of AEMs with superior performance and operational stability suitable for water electrolysis applications.

关键词： Green hydrogen production Water electrolysis Anion exchange membrane water electrolyzer(AEMWE) Anion exchange membranes(AEMs) Super-acid-catalyzed condensation(SACC)

Modified embedded-atom method interatomic potentials for Mg-Al-Ca and Mg-Al-Zn ternary systems

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Journal of Magnesium and Alloys 2021年第1期9卷 317-335页

作者： hyo-sun jang Donghyuk Seol Byeong-Joo Lee Department of Materials Science and Engineering Pohang University of Science and Technology(POSTECH)Pohang 37673Republic of Korea

Al,Ca,and Zn are representative commercial alloying elements for Mg alloys.To investigate the effects of these elements on the deformation and recrystallization behaviors of Mg alloys,we develop interatomic potentials for the Al-Ca,Al-Zn,Mg-Al-Ca and Mg-Al-Zn systems based on the second nearest-neighbor modified embedded-atom method formalism.The developed potentials describe structural,elastic,and thermodynamic properties of compounds and solutions of associated alloy systems in reasonable agreement with experimental data and higher-level calculations.The applicability of these potentials to the present investigation is confirmed by calculating the generalized stacking fault energy for various slip systems and the segregation energy on twin boundaries of the Mg-Al-Ca and Mg-Al-Zn alloys,accompanied with the thermal expansion coefficient and crystal structure maintenance of stable compounds in those alloys.

关键词： 2NN MEAM Interatomic potential Mg-Al-Ca Mg-Al-Zn Atomistic simulation

Non-interleaved chiral metasurfaces and neural networks enhance the spatial resolution of polarimetry

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Light(Science & Applications) 2024年第3期13卷 396-398页

作者： Jaewon jang Minsu Park Yeonsang Park Department of Physics Chungnam National UniversityDaejeon 34134Korea Institute of Quantum Systems Chungnam National UniversityDaejeon 34134Korea

Non-interleaved chiral metasurfaces for high-spatial-resolution polarimetry are proposed and demonstrated.Furthermore,a convolutional neural network is incorporated to analyze interferometric images with the polarizat... 详细信息

关键词： parameters chiral resolution

Unravelling the role of the combined effect of metallic charge transfer channel and SiO_(x) overlayer in the Zr/Si-Fe_(2)O_(3):Au:SiO_(x) nanorod arrays to boost photoelectrochemical water splitting

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Journal of Energy Chemistry 2024年第3期90卷 370-379,I0009页

作者： Tae Sik Koh Periyasamy Anushkkaran Love Kumar Dhandole Mahadeo A.Mahadik Weon-Sik Chae Hyun Hwi Lee sun Hee Choi Jum Suk jang Division of Biotechnology SafetyEnvironment and Life Science InstituteCollege of Environmental and Bioresource SciencesJeonbuk National UniversityIksan 54896Republic of Korea Department of Integrative Environmental Biotechnology College of Environmental and Bioresource SciencesJeonbuk National UniversityIksan 54596Republic of Korea Extreme Materials Research Center Korea Institute of Science and Technology(KIST)Seoul 02792Republic of Korea Daegu Center Korea Basic Science InstituteDaegu 41566Republic of Korea Pohang Accelerator Laboratory Pohang University of Science and Technology(POSTECH)Pohang 37673Republic of Korea

Hematite(α-Fe_(2)O_(3)) based photoanodes have been extensively studied due to various intriguing features that make them viable candidates for a photoelectrochemical(PEC) water splitting photoanode.Herein,we propose a Zr-doped Fe_(2)O_(3) photoanode decorated with facilely spin-coated Au nanoparticles(NPs) and microwave-assisted attached Si co-doping in conjunction with a SiO_(x) overlayer that displayed a remarkable photocurrent density of 2.01 mA/cm^(2) at 1.23 V vs.RHE.The kinetic dynamics at the photoelectrode/-electrolyte interface was examined by employing systematic electrochemical investigations.The Au NPs played a dual role in increasing PEC water splitting.First,the Schottky interface that was formed between Au NPs and Zr-Fe_(2)O_(3) lectrode ensured the prevention of electron flow from the photoanode to the metal,increasing the number of available charges as well as suppressing surface charge recombination.Second,Au extracted photoholes from the bulk of the Zr-Fe_(2)O_(3) and transported them to the outer SiO_(x) overlayer,while the SiO_(x) overlayer efficiently collected the photoholes and promoted the hole injection into the electrolyte.Further,Si co-doping enhanced bulk conductivity by reducing bulk charge transfer resistance and improving charge carrier density.This study outlines a technique to design a metallic charge transfer path with an overlayer for solar energy conversion.

关键词： Hematite Microwave attachment Au nanoparticles SiO_(x) overlayer Water splitting

Laser‑Induced and MOF‑Derived Metal Oxide/Carbon Composite for Synergistically Improved Ethanol Sensing at Room temperature

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Nano-Micro Letters 2024年第6期16卷 210-220页

作者： Hyeongtae Lim Hyeokjin Kwon Hongki Kang Jae Eun jang Hyuk‑Jun Kwon Department of Electrical Engineering and Computer Science DGISTDaegu 42988South Korea Convergence Research Advanced Centre for Olfaction DGISTDaegu 42988South Korea

Advancements in sensor technology have significantly enhanced atmospheric monitoring.Notably,metal oxide and carbon(MO_(x)/C)hybrids have gained attention for their exceptional sensitivity and room-temperature sensing performance.However,previous methods of synthesizing MO_(x)/C composites suffer from problems,including inhomogeneity,aggregation,and challenges in micropatterning.Herein,we introduce a refined method that employs a metal–organic framework(MOF)as a precursor combined with direct laser writing.The inherent structure of MOFs ensures a uniform distribution of metal ions and organic linkers,yielding homogeneous MO_(x)/C structures.The laser processing facilitates precise micropatterning(<2μm,comparable to typical photolithography)of the MO_(x)/C crystals.The optimized MOF-derived MO_(x)/C sensor rapidly detected ethanol gas even at room temperature(105 and 18 s for response and recovery,respectively),with a broad range of sensing performance from 170 to 3,400 ppm and a high response value of up to 3,500%.Additionally,this sensor exhibited enhanced stability and thermal resilience compared to previous MOF-based counterparts.This research opens up promising avenues for practical applications in MOF-derived sensing devices.

关键词： Metal-organic frameworks Metal oxide Carbon composite Laser Gas sensor

Enhancing BiVO_(4)photoanode performance by insertion of an epitaxial BiFeO_(3)ferroelectric layer

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Journal of Energy Chemistry 2024年第2期89卷 71-78,I0003页

作者： Haejin jang Yejoon Kim Hojoong Choi Jiwoong Yang Yoonsung Jung sungkyun Choi Donghyeon Lee Ho Won jang Sanghan Lee School of Materials Science and Engineering Gwangju Institute of Science and TechnologyGwangju 61005Republic of Korea Department of Materials Science and Engineering Seoul National UniversitySeoul 08826Republic of Korea

BiVO_(4)(BVO)is a promising material as the photoanode for use in photoelectrochemical applications.However,the high charge recombination and slow charge transfer of the BVO have been obstacles to achieving satisfactory photoelectrochemical performance.To address this,various modifications have been attempted,including the use of ferroelectric materials.Ferroelectric materials can form a permanent polarization within the layer,enhancing the separation and transport of photo-excited electron-hole pairs.In this study,we propose a novel approach by depositing an epitaxial BiFeO_(3)(BFO)thin film underneath the BVO thin film(BVO/BFO)to harness the ferroelectric property of BFO.The self-polarization of the inserted BFO thin film simultaneously functions as a buffer layer to enhance charge transport and a hole-blocking layer to reduce charge recombination.As a result,the BVO/BFO photoanodes showed more than 3.5 times higher photocurrent density(0.65 mA cm^(-2))at 1.23 V_(RHE)under the illumination compared to the bare BVO photoanodes(0.18 m A cm^(-2)),which is consistent with the increase of the applied bias photon-to-current conversion efficiencies(ABPE)and the result of electrochemical impedance spectroscopy(EIS)analysis.These results can be attributed to the self-polarization exhibited by the inserted BFO thin film,which promoted the charge separation and transfer efficiency of the BVO photoanodes.

关键词： Photoelectrochemical Photoanode BiVO_(4) Ferroelectric materials BiFeO_(3)

Activation of non-basalslip in multicomponent Mg alloy

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Journal of Magnesium and Alloys 2022年第2期10卷 629-642页

作者： hyo-sun jang Jong-Kwan Lee Antonio João Seco Ferreira Tapia Nack Joon Kim Byeong-Joo Lee Department of Materials Science and Engineering Pohang University of Science and Technology(POSTECH)Pohang 37673Republic of Korea Graduate Institute of Ferrous Technology Pohang University of Science and Technology(POSTECH)Pohang 37673Republic of Korea

Activating non-basalslip is a key method to improve room temperature ductility and formability of Mg alloys.However,the detailed criterion for activation of theslip in multicomponent Mg alloys,which can be utilized in commercial Mg alloys,requires further understanding.The present authors investigated the mechanism and criterion using a molecular statics simulation on dislocation behaviors in multicomponent Mg alloys.We found that if multicomponent Mg alloys have an equivalent dislocation binding intensity to associated binary Mg alloys that are optimized to minimize the critical resolved shear stress anisotropy and thus activate theslip,then the critical resolved shear stress anisotropy between slip systems of the multicomponent Mg alloys can also be minimized,resulting in activation of theslip.The activation is maximized in multicomponent Mg alloys when alloying a large amount of weak dislocation binding elements.It was confirmed through experiments that the multicomponent Mg alloys satisfying the above criterion show higher room-temperature tensile elongation and formability than other alloys.

关键词： Mg–Zn–Ca alloy Molecular statics simulation Ductility Formability