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Interplay between Point and Extended Defects and Their Effects on Jerky Domain-Wall Motion in Ferroelectric Thin Films

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Physical Review Letters 2024年第10期133卷 106801页

作者： Ralph Bulanadi Kumara Cordero-Edwards Philippe Tückmantel Sahar Saremi Giacomo Morpurgo Qi Zhang Lane W. Martin Valanoor Nagarajan Patrycja Paruch Department of Quantum Matter Physics Department of Materials Science and Engineering School of Materials Science and Engineering Materials Sciences Division Departments of Materials Science and NanoEngineering Chemistry and Physics and Astronomy Rice Advanced Materials Institute

Defects have a significant influence on the polarization and electromechanical properties of ferroelectric materials. Statistically, they can be seen as random pinning centers acting on an elastic manifold, slowing domain-wall propagation and raising the energy required to switch polarization. Here we show that the “dressing” of defects can lead to unprecedented control of domain-wall dynamics. We engineer defects of two different dimensionalities in ferroelectric oxide thin films—point defects externally induced via He2+ bombardment, and extended quasi-one-dimensional a domains formed in response to internal strains. The a domains act as extended strong pinning sites (as expected) imposing highly localized directional constraints. Surprisingly, the induced point defects in the He2+ bombarded samples orient and align to impose further directional pinning, screening the effect of a domains. This defect interplay produces more uniform and predictable domain-wall dynamics. Such engineered interactions between defects are crucial for advancements in ferroelectric devices.

关键词： Defects Domain wall motion Ferroelectric domains Line defects Point defects Ferroelectrics Piezoresponse force microscopy

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Revealing the atomic mechanism of diamond–iron interfacial reaction

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Carbon Energy 2024年第3期6卷 255-263页

作者： Yalun Ku Kun Xu Longbin Yan Kuikui Zhang Dongsheng Song Xing Li Shunfang Li Shaobo Cheng Chongxin Shan Henan Key Laboratory of Diamond Optoelectronic Materials and Devices Key Laboratory of Material PhysicsMinistry of EducationSchool of Physics and MicroelectronicsZhengzhou UniversityZhengzhouChina Department of Mechanical Engineering Stanford UniversityStanfordCaliforniaUSA Information Materials and Intelligent Sensing Laboratory of Anhui Province Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of EducationInstitutes of Physical Science and Information TechnologyAnhui UniversityHefeiChina Institute of Quantum Materials and Physics Henan Academy of SciencesZhengzhouChina

Diamond,with ultrahigh hardness,high wear resistance,high thermal conductivity,and so forth,has attracted worldwide ***,researchers found emergent reactions at the interfaces between diamond and ferrous materials,which significantly affects the performance of diamond-based ***,combing experiments and theoretical calculations,taking diamond–iron(Fe)interface as a prototype,the counter-diffusion mechanism of Fe/carbon atoms has been ***,it is identified that Fe and diamond first form a coherent interface,and then Fe atoms diffuse into diamond and prefer the carbon vacancies ***,the relaxed carbon atoms diffuse into the Fe lattice,forming Fe_(3)***,graphite is observed at the Fe_(3)C surface when Fe_(3)C is over-saturated by carbon *** present findings are expected to offer new insights into the atomic mechanism for diamondferrous material's interfacial reactions,benefiting diamond-based device applications.

关键词： coherent interface counter-diffusion diamond iron phase transition

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Progress in computational understanding of ferroelectric mechanisms in HfO_(2)

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npj Computational materials 2024年第1期10卷 1292-1309页

作者： Tianyuan Zhu Liyang Ma Shiqing Deng Shi Liu Key Laboratory for Quantum Materials of Zhejiang Province Department of PhysicsSchool of ScienceWestlake UniversityHangzhouZhejiang310030China Institute of Natural Sciences Westlake Institute for Advanced StudyHangzhouZhejiang310024China Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing100083China

Since the first report of ferroelectricity in nanoscale HfO_(2)-based thin films in 2011,this siliconcompatible binary oxide has quickly garnered intense interest in academia and industry,and continues to do *** its deceivingly simple chemical composition,the ferroelectric physics supported by HfO_(2) is remarkably complex,arguably rivaling that of perovskite *** investigations,especially those utilizing first-principles density functional theory(DFT),have significantly advanced our understanding of the nature of ferroelectricity in these thin films.

关键词： ferroelectric utilizing mechanisms

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Characterization of Wood, Leaves, Barks, and pod wastes from Prosopis africana biomass for biofuel production

Waste Management Bulletin

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Waste Management Bulletin 2024年第3期2卷 172-182页

作者： Uzoagba, Chidiebele E.J. Okoroigwe, Edmund Kadivar, Marzieh Anye, Vitalis C. Bello, Abdulhakeem Ezealigo, Uchechukwu Odette Ngasoh, Fayen Pereira, Helena Azikiwe Onwualu, Peter Materials Science and Engineering Department African University of Science and Technology (AUST) Abuja Nigeria Mechanical Engineering Department University of Nigeria Nsukka Nigeria Materials Science and Engineering Department University of Sao Paulo Brazil Theoretical and Applied Physics Department African University of Science and Technology Abuja Nigeria Department of Natural Resources Environment and Territory University of Lisbon Portugal

One of the approaches for increasing the contribution of biomass to the renewable energy mix is the valorization of biomass to bioenergy. Evaluating the potential of unconventional biomass sources could significantly accelerate the assessment for suitability as feedstock for bioenergy production as a sustainable solution. The study aimed to characterize the Prosopis africana biomass of wood, barks, leaves, and pods towards providing valuable data for scaling up and incorporating these materials into the bioenergy crop database. Characterizations of wood, leaves, barks, and pod wastes from Prosopis africana biomass were investigated based on the proximate, ultimate, and compositional analysis of pulverized samples of the PA biomass to determine their physical, thermal, and chemical properties towards assessing their potential for valorization to bioenergy. The lignocellulosic materials were characterized by scanning electron microscopy, energy dispersive X-ray, Fourier transform infrared spectroscopy, thermogravimetric analysis, and X-ray diffraction. The results show that the pulverized sample wastes have porous structures with varying degrees of crystallinity (wood: 89.20 %, bark: 23.90 %, leaves: 32.48 %, pods: 23.08 %), suggesting different susceptibilities to conversion processes. Notably, the wood sample had the lowest moisture content (3.13 %), and the pod sample had the highest volatile matter content (75.83 %), indicating a high potential for biofuel production. The higher heating values (HHV) and lower heating values (LHV) of the samples ranged from 15.23 to 20.49 MJ/kg and 13.83 to 18.79 MJ/kg, respectively. These calorific values are competitive with established lignocellulosic bioenergy feedstocks, positioning PA biomass as promising candidates for solid biofuel applications. © 2024 The Authors

关键词： Biofuel Biomass Characterization Lignocellulosic feedstocks Prosopis africana Valorization

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Ultralow-voltage hydrogen production and simultaneous Rhodamine B beneficiation in neutral wastewater

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Journal of Energy Chemistry 2023年第6期81卷 574-582,I0013页

作者： Xiang Peng Song Xie Shijian Xiong Rong Li Peng Wang Xuming Zhang Zhitian Liu Liangsheng Hu Biao Gao Peter Kelly Paul K.Chu Hubei Key Laboratory of Plasma Chemistry and Advanced Materials Hubei Engineering Technology Research Center of Optoelectronic and New Energy MaterialsSchool of Materials Science and EngineeringWuhan Institute of TechnologyWuhan 430205HubeiChina Department of Physics Department of Materials Science and EngineeringDepartment of Biomedical EngineeringCity University of Hong KongTat Chee AvenueKowloon 999077Hong KongChina State Key Laboratory of Refractories and Metallurgy and Institute of Advanced Materials and Nanotechnology Wuhan University of Science and TechnologyWuhan 430081HubeiChina Department of Chemistry and Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province Shantou UniversityShantou 515063GuangdongChina Surface Engineering Group Manchester Metropolitan UniversityManchester M15GDUK

Electrocatalytic water splitting for hydrogen production is hampered by the sluggish oxygen evolution reaction(OER)and large power consumption and replacing the OER with thermodynamically favourable reactions can improve the energy conversion *** iron corrodes easily and even self-corrodes to form magnetic iron oxide species and generate corrosion currents,a novel strategy to integrate the hydrogen evolution reaction(HER)with waste Fe upgrading reaction(FUR)is proposed and demonstrated for energy-efficient hydrogen production in neutral *** heterostructured MoSe_(2)/MoO_(2) grown on carbon cloth(MSM/CC)shows superior HER performance to that of commercial Pt/C at high current *** replacing conventional OER with FUR,the potential required to afford the anodic current density of 10 m A cm^(-2)decreases by 95%.The HER/FUR overall reaction shows an ultralow voltage of 0.68 V for 10 m A cm^(-2)with a power equivalent of 2.69 k Wh per m^(3)H_(2).Additionally,the Fe species formed at the anode extract the Rhodamine B(Rh B)pollutant by flocculation and also produce nanosized magnetic powder and beneficiated Rh B for value-adding *** work demonstrates both energy-saving hydrogen production and pollutant recycling without carbon emission by a single system and reveals a new direction to integrate hydrogen production with environmental recovery to achieve carbon neutrality.

关键词： Energy-saving hydrogen production Hydrogen evolution reaction Neutral water splitting MoSe_(2)/MoO_(2)heterostructure Environmental recovery

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High-performance terahertz modulators induced by substrate field in Te-based all-2D heterojunctions

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Light(science & Applications) 2024年第3期13卷 577-586页

作者： Pujing Zhang Qihang Liang Qingli Zhou Jinyu Chen Menglei Li Yuwang Deng Wanlin Liang Liangliang Zhang Qinghua Zhang Lin Gu Chen Ge Kui-juan Jin Cunlin Zhang Guozhen Yang Department of Physics Key Laboratory of Terahertz OptoelectronicsMinistry of Educationand Beijing Advanced Innovation Center for Imaging Theory and TechnologyCapital Normal UniversityBeijing 100048China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Department of Materials Science and Engineering Beijing National Center for Electron Microscopy and Laboratory of Advanced MaterialsTsinghua UniversityBeijing 100084China

High-performance active terahertz modulators as the indispensable core components are of great importance for the next generation communication ***,they currently suffer from the tradeoff between modulation depth and ***,we introduce two-dimensional(2D)tellurium(Te)nanofilms with the unique structure as a new class of optically controlled terahertz modulators and demonstrate their integrated heterojunctions can successfully improve the device performances to the optimal and applicable levels among the existing all-2D broadband *** photoresponse measurements confirm the significant impact of the stacking *** first clarify the direction of the substrate-induced electric field through first-principles calculations and uncover the unusual interaction mechanism in the photoexcited carrier dynamics associated with the charge transfer and interlayer exciton *** advances the fundamental and applicative research of Te nanomaterials in high-performance terahertz optoelectronics.

关键词： performance field terahertz

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Enhanced methanol production from photothermal CO_(2) reduction via multilevel interface design

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Nano Research 2025年第2期18卷 235-241页

作者： Hongmin Wang Bo Shang Chungseok Choi Sungho Jeon Yuanzuo Gao Tyler Wang Nia J.Harmon Mengxia Liu Eric A.Stach Hailiang Wang Department of Chemistry Yale UniversityNew HavenCT 06520USA Energy Sciences Institute Yale UniversityWest HavenCT 06516USA School of Materials Science and Engineering Southeast UniversityNanjing 211189China Current address:SKKU Advanced Institute of Nanotechnology and Department of Nanoengineering Sungkyunkwan UniversitySuwon 16419Republic of Korea Department of Materials Science and Engineering University of PennsylvaniaPhiladelphiaPA 19104USA Department of Physics Yale UniversityNew HavenCT 06511USA Department of Electrical Engineering Yale UniversityNew HavenCT 06511USA

Photothermal CO_(2) hydrogenation is a promising route to produce methanol as a sustainable liquid solar ***,most existing catalysts require a combination of solar irradiation and additional heat input to achieve a satisfactory reaction *** the few that can be driven solely by light,their reaction rates are one order of magnitude *** develop a photothermal catalyst with multilevel interfaces that achieves improvedmethanol production from photothermal CO_(2) hydrogenation without external *** catalyst features a layered structure comprising Cu/ZnO/Al_(2)O_(3)(CZA)covered by oxidized carbon black(oCB),where the oCB/CZA interface promotes efficient heat generation and transfer,and the Cu/oxide interface contributes to high catalytic *** a mild pressure of 8 bar,our oCB/CZA catalyst shows a methanol selectivity of 64.7%with a superior production rate of 4.91 mmol-geza-1-h-1,at least one order of magnitude higher than other photothermal catalysts solely driven by *** work demonstrates a photothermal catalyst design strategy for liquid solar fuel production.

关键词： photothermal catalysis CO_(2)hydrogenation methanol production solar fuel multilevel interface Cu/ZnO/Al_(2)O_(3)(CZA)catalyst

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Synthesis,chemical bonding and reactivity of new medium-sized polyarsenides

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Chinese Chemical Letters 2024年第7期35卷 497-501页

作者： Xu-Hui Yue Xiang-Wen Zhang Hui-Min He Lei Qiao Zhong-Ming Sun State Key Laboratory of Element-Organic Chemistry Tianjin Key Lab for Institution Rare Earth Materials and ApplicationsSchool of Materials Science and EngineeringNankai UniversityTianjin 300350China Department of Physics Institute of Computational and Applied PhysicsTaiyuan Normal UniversityJinzhong 030619China

Gaining an understanding of the growth mechanism from single atoms to clusters and bulk materials continues to present a ***,it is important to explore the evolving trends of clusters in the structure and properties during the size *** this work,we report the synthesis and characterization of two medium-sized chain-like polyarsenic anions.[As_(21)]^(3-)represents a trimeric example of polyarsenic anion assembled through oxidative coupling of As_(7)^(3-)*** anion As_(18)^(4-)included in[As_(18)MO_(2)(CO)_(8)]^(4-)is regarded as formed by two realgar-type As_(8)subunits connected by a dinuclear AsAs *** As_(18)cluster was previously predicted by theory,and this is the first time successfully synthesized using wet chemistry ***,small-sized polyarsenides As_(2)^(2-)and As_(10)^(2-)were found in compound[K(18-crown-6)]_(3)[As_(10)]_(0.5)[As_(4){Mo(CO)_(3)}_(2)]_(0.5)·*** these,the former exhibits coordination with metal ***-crystal X-ray diffraction combined with quantum chemical calculations revealed the formation of double bonded As_(2)^(2-)stabilized by metal carbonyl *** work demonstrates a novel synthetic approach for the preparation of new polyarsenides and highlights their intriguing bonding characteristics,laying the foundation for the synthesis of such compounds and paving the way for their potential applications.

关键词： Polyarsenide Zintl anions Chain-like cluster DFT calculations AdNDP

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Non-affinity:The emergence of networks from amorphous planar graphs

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science China(physics,Mechanics & Astronomy) 2023年第6期66卷 118-138页

作者： Xiangying Shen Guimei Zhu Baowen Li Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 51855China School of Microelectronics Southern University of Science and TechnologyShenzhen 518055China Department of Physics Southern University of Science and TechnologyShenzhen 518055China International Quantum Academy Shenzhen 518048China

The primary research of physics is to reveal the underlying law of the physical ***,for a complex system consisting of multiple components,even if we know every details of each component,we still cannot predict the collective behavior due to the emergence *** amorphous networks of mass points hinged by springs belong to such a complex *** to the non-affinity,one of the emergence phenomena of the network,the displacements field of the internal mass points under the external load tends to be chaotic,and there is no well-established theoretical framework to describe these points’collective behavior *** non-affine mechanical responses of the amorphous networks are very common,whereas the affine response is rare and it occurs only in those lattices with one site per unit *** network’s non-affinity prevents us from further investigating the relationship between its intrinsic properties(such as the contact number,local structure,and topological characteristics)and the mechanical *** a result,it is very complicated and difficult to predict the responses of an amorphous network to an imposed ***,a sort of amorphous network derived from the jammed particles is reported to have almost perfect affine mechanical behavior,in a stark contrast with the general *** findings may shed light on uncovering the structural factors that affect the network’s *** article will give a short review of the latest advances in this area.

关键词： complex systems mechanical properties amorphous solids structure

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Identification and comparison of the local physicochemical structures of transition metal-based layered double hydroxides for high performance electrochemical oxygen evolution reactions

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Journal of Energy Chemistry 2023年第12期87卷 89-97,I0004页

作者： Min Sung Kim Bipin Lamichhane Ju-Hyeon Lee Jin-Gyu Bae Jeong Yeon Heo Hyeon Jeong Lee Shyam Kattel Ji Hoon Lee School of Materials Science and Engineering Kyungpook National UniversityDaegu 41566Republic of Korea KNU Advanced Material Research Institute Kyungpook National UniversityDaegu 41566Republic of Korea Department of Materials Science and Engineering Ulsan National Institute of Science and TechnologyUlsan 44919Republic of Korea Department of Physics Florida A&M UniversityTallahasseeFlorida 32307United States

Layered double hydroxides(LDHs) have attracted considerable attention as a cost effective alternative to the precious iridium-and ruthenium-based electrocatalysts for an oxygen evolution reaction(OER),a bottleneck of water electrolysis for sustainable hydrogen *** their excellent OER performance,the structural and electronic properties of LDHs,particularly during the OER process,remain to be poorly *** this study,a series of LDH catalysts is investigated through in situ X-ray absorption fine structure analyses and density functional theory(DFT) *** experimental results reveal that the LDH catalyst with equal amounts of Ni and Fe(NF-LDH) exhibits the highest OER activity and catalytic life span when compared with its counterparts having equal amounts of Ni and Co(NC-LDH)and Ni only(Ni-LDH).The NF-LDH shows a markedly enhanced OER kinetics compared to the NC-LDH and the Ni-LDH,as proven by the lower overpotentials of 180,240,and 310 mV,respectively,and the Tafel slopes of 35.1,43.4,and 62.7 mV dec^(-1),*** DFT calculations demonstrate that the lowest overpotential of the NF-LDH is associated with the active sites located at the edge planes of NF-LDH in contrast to those located at the basal planes of Ni-LDH and *** current study pinpoints the active sites on various LDHs and presents strategies for optimizing the OER performance of the LDH catalysts.

关键词： Layered double hydroxides Oxygen evolution reaction In situ X-ray analyses Density functional theory Catalytic active sites

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