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strain engineering of Pt-based electrocatalysts for oxygen reaction reduction

Frontiers in Energy 2024年第2期18卷 241-262页

作者： Zeyu WANG Yanru LIU Shun CHEN Yun ZHENG Xiaogang FU Yan ZHANG Wanglei WANG State Key Laboratory of Solidification Processing Atomic Control and Catalysis Engineering LaboratorySchool of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi’an 710072China State Key Laboratory of Oral and Maxillofacial Reconstruction and Regeneration National Clinical Research Center for Oral DiseasesShaanxi Key Laboratory of StomatologyDepartment of Dental MaterialsSchool of StomatologyThe Fourth Military Medical UniversityXi’an 710032China Institute of New Energy Materials and engineering School of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China Key Laboratory of Marine Chemistry Theory and Technology(Ministry of Education) College of Chemistry and Chemical EngineeringOcean University of ChinaQingdao 266100China

Proton exchange membrane fuel cells(PEMFCs)are playing irreplaceable roles in the construction of the future sustainable energy system.However,the insufficient performance of platinum(Pt)-based electrocatalysts for oxygen reduction reaction(ORR)hinders the overall efficiency of PEMFCs.engineering the surface strain of catalysts is considered an effective way to tune their electronic structures and therefore optimize catalytic behavior.In this paper,insights into strain engineering for improving Pt-based catalysts toward ORR are elaborated in detail.First,recent advances in understanding the strain effects on ORR catalysts are comprehensively discussed.Then,strain engineering methodologies for adjusting Ptbased catalysts are comprehensively discussed.Finally,further information on the various challenges and potential prospects for strain modulation of Pt-based catalysts is provided.

关键词： strain engineering Pt-based catalysts oxygen reduction reaction(ORR) catalytic performance proton exchange membrane fuel cells(PEMFCs)

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strain engineering of anisotropic light-matter interactions in onedimensional P-P chain of SiP_(2)

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Nano Research 2022年第8期15卷 7378-7383页

作者： Fanghua Cheng Junwei Huang Feng Qin Ling Zhou Xueting Dai Xiangyu Bi Caorong Zhang Zeya Li Ming Tang Caiyu Qiu Yangfan Lu Huiyang Gou Hongtao Yuan National Laboratory of Solid State Microstructures and Jiangsu Key Laboratory of Artificial Functional Materials College of Engineering and Applied SciencesNanjing UniversityNanjing 210000China College of Materials Science and engineering National Engineering Research Center for Magnesium AlloysChongqing UniversityChongqing 400030China Center for High Pressure Science and Technology Advanced Research Beijing 100094China

strain engineering can serve as a powerful technique for modulating the exotic properties arising from the atomic structure of materials.Examples have been demonstrated that one-dimensional(1D)structure can serve as a great platform for modulating electronic band structure and phonon dispersion via strain control.Particularly,in a van der Waals material silicon diphosphide(SiP_(2)),quasi-1D zigzag phosphorus–phosphorus(P–P)chains are embedded inside the crystal structure,and can show unique phonon vibration modes and realize quasi-1D excitons.Manipulating those optical properties by the atom displacements via strain engineering is of great interest in understanding underlying mechanism of such P–P chains,however,which remains elusive.Herein,we demonstrate the strain engineering of Raman and photoluminescence(PL)spectra in quasi-1D P–P chains and resulting in anisotropic manipulation in SiP_(2).We find that the phonon frequencies of SiP_(2)in Raman spectra linearly evolve with a uniaxial strain along/perpendicular to the quasi-1D P–P chain directions.Interestingly,by applying tensile strain along the P–P chains,the band gap energy of strained SiP_(2)can significantly decrease with a tunable value of~55 meV.Based on arsenic(As)element doping into SiP_(2),the strain-induced redshifts of phonon frequencies decrease,indicating the stiffening of the phonon vibration with the increased arsenic doping level.Such results provide an opportunity for strain engineering of the light–matter interactions in the quasi-1D P–P chains of SiP_(2)crystal for potential optical applications.

关键词： strain engineering silicon diphosphide Raman photoluminescence

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New Janus structure photocatalyst having widely tunable electronic and optical properties with strain engineering

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Journal of Materials Science & Technology 2023年第24期155卷 142-147页

作者： Sri Kasi Matta Ting Liao Salvy P Russo Center for Computational Sciences University of Tsukuba Japan ARC Centre of Excellence in Exciton Science School of Science RMIT University Melbourne 3000 Australia School of Mech. Medical & Process Engineering Queensland University of Technology Gardens Point Campus Brisbane Queensland Australia

Photoelectrochemical water splitting using solar energy,generating oxygen and hydrogen is one of the clean fuel production processes.Inspired by surface-dependent characteristics of Janus structures,a newly designed Janus monolayer Silicon Phosphorous Arsenide(SiPAs)was analyzed with Density Functional Theory(DFT)methods.Hybrid exchange-correlation functional(HSE06)combined with Wannier90-based analysis for electronic and optical properties of SiPAs reveals that it can act as a photocatalyst.SiPAs show an indirect bandgap of 1.88 eV,absorbing visible light range is 350 to 500 nm.The phonon spectrum confirms dynamic stability.The exciton binding energy is computed with GW/BSE methods.The electronic band edge positions are at-5.75 and-4.43 eV,perfectly straddling the water redox potentials.Interestingly the strain application modifies the bandgap and also non-homogenously widens the absorption band.A novel range of photocatalyst designs with Group IV-V elements with great promise for water-splitting,photovoltaic,and narrow bandgap semiconductor(optoelectronics)applications may be feasible.

关键词： Solar water-splitting Janus structure Density functional theory strain engineering Optical and electronic property tuning Optoelectronic

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Opportunities and challenges of strain engineering for advanced electrocatalyst design

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Nano Research 2023年第7期16卷 8655-8669页

作者： Qing-Man Liang Xinchang Wang Xin-Wang Wan Long-Xing Lin Bi-Jun Geng Zhong-Qun Tian Yang Yang Department of Physics Pen-Tung Sah Institute of Micro-Nano Science and TechnologyState Key Laboratory of Physical Chemistry of Solid SurfacesXiamen UniversityXiamen 361005China

Electrocatalysis is becoming more and more important in energy conversion and storage due to rising energy demands,increasing carbon dioxide emissions,and impending climate change.The design and synthesis of high-performance electrocatalysts are the spotlights of electrocatalysis.Among many design methodologies reported,strain engineering has gained growing attention because it can change the atomic arrangement and lattice structure of electrocatalysts.However,strain engineering remains to be problematic in regulating the properties of electrocatalysts.This review discusses the strain effect tactics to regulate metal and non-metal electrocatalysts,including three sections focusing on strain categorization,strain regulation mechanism,and applications in electrocatalysis,respectively.Finally,the current challenges and an outlook of strain engineering are discussed.

关键词： electrocatalysis electrocatalyst design strain engineering categorization and mechanism applications in electrocatalysis

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strain engineering of ion migration in LiCoO_(2)

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Frontiers of physics 2022年第1期17卷 169-176页

作者： Jia-Jing Li Yang Dai Jin-Cheng Zheng Department of Physics and Collaborative Innovation Center for Optoelectronic Semiconductors and Efficient DevicesXiamen UniversityXiamen361005China Department of Chemical engineering School of Environmental and Chemical Engineeringand Institute for Sustainable EnergyShanghai UniversityShangda Road 99Shanghai200444China Department of Physics Xiamen University Malaysia439000SepangSelangorMalaysia Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry Xiamen UniversityXiamen361005China

strain engineering is a powerful approach for tuning various properties of functional materials. The influences of lattice strain on the Li-ion migration energy barrier of lithium-ions in layered LiCoO_(2) have been systemically studied using lattice dynamics simulations, analytical function and neural network method. We have identified two Li-ion migration paths, oxygen dumbbell hop (ODH), and tetrahedral site hop (TSH) with different concentrations of local defects. We found that Li-ion migration energy barriers increased with the increase of pressure for both ODH and TSH cases, while decreased significantly with applied tensile uniaxial c-axis strain for ODH and TSH cases or compressive in-plane strain for TSH case. Our work provides the complete strain-map for enhancing the diffusivity of Li-ion in LiCoO_(2), and therefore, indicates a new way to achieve better rate performance through strain engineering.

关键词： LiCoO_(2) strain engineering migration energy barrier lithium-ion battery

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strain engineering in single-,bi-and tri-layer MoS_(2),MoSe_(2),WS_(2)and WSe_(2)

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Nano Research 2021年第6期14卷 1698-1703页

作者： Felix Carrascoso Hao Li Riccardo Frisenda Andres Castellanos-Gomez Materials Science Factory Instituto de Ciencia de Materiales de MadridConsejo Superior de Investigaciones Cientificas28049MadridSpain

strain is a powerful tool to modify the optical properties of semiconducting transition metal dichalcogenides like MoS_(2),MoSe_(2),WS_(2) and WSe_(2).In this work we provide a thorough description of the technical details to perform uniaxial strain measurements on these two-dimensional semiconductors and we provide a straightforward calibration method to determine the amount of applied strain with high accuracy.We then employ reflectance spectroscopy to analyze the strain tunability of the electronic properties of single-,bi-and tri-layer MoS_(2),MoSe_(2),WS_(2) and WSe_(2).Finally,we quantify the flake-to-flake variability by analyzing 15 different single-layer MoS_(2) flakes.

关键词： two-dimensional(2D)materials transition metal dichalcogenides strain engineering band gap differential reflectance

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strain engineering and hydrogen effect for two-dimensional ferroelectricity in monolayer group-Ⅳmonochalcogenides MX(M=Sn,Ge;X=Se,Te,S)

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Chinese Physics B 2023年第3期32卷 396-401页

作者： Maurice Franck Kenmogne Ndjoko 郭必诞彭银辉赵宇军 Department of Materials Science and engineering South China University of TechnologyGuangzhou 510640China Department of Physics South China University of TechnologyGuangzhou 510640China

Two-dimensional(2D)ferroelectric compounds are a special class of materials that meet the need for devices miniaturization,which can lead to a wide range of applications.Here,we investigate ferroelectric properties of monolayer group-IV monochalcogenides MX(M=Sn,Ge;X=Se,Te,S)via strain engineering,and their effects with contaminated hydrogen are also discussed.GeSe,GeTe,and GeS do not go through transition up to the compressive strain of-5%,and consequently have good ferroelectric parameters for device applications that can be further improved by applying strain.According to the calculated ferroelectric properties and the band gaps of these materials,we find that their band gap can be adjusted by strain for excellent photovoltaic applications.In addition,we have determined the most stable hydrogen occupancy location in the monolayer SnS and SnTe.It reveals that H prefers to absorb on SnS and SnTe monolayers as molecules rather than atomic H.As a result,hydrogen molecules have little effect on the polarization and electronic structure of monolayer SnTe and SnS.

关键词： two-dimensional material strain engineering ferroelectric photovoltaic materials hydrogen effect

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Unveiling strain-enhanced moiréexciton localization in twisted van der Waals homostructures

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Nano Research 2024年第4期17卷 3245-3252页

作者： Henry Rui He Haihong Zheng Biao Wu Shaofei Li Junnan Ding Zongwen Liu Jian-Tao Wang Anlian Pan Yanping Liu Institute of Quantum Physics School of PhysicsCentral South UniversityChangsha 410083China State Key Laboratory of Precision Manufacturing for Extreme Service Performance Central South UniversityChangsha 410083China School of Chemical and Biomolecular engineering The University of SydneyNSW 2006Australia Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China College of Materials Science and engineering Hunan UniversityChangsha 410082China State Key Laboratory of High-Performance Complex Manufacturing Central South UniversityChangsha 410083China Shenzhen Research Institute of Central South University Shenzhen 51800China

Moirésuperlattices,arising from the controlled twisting of van der Waals homostructures at specific angles,have emerged as a promising platform for quantum emission applications.Concurrently,the manipulation of strain provides a versatile strategy to finely adjust electronic band structures,enhance exciton luminescence efficiency,and establish a robust foundation for two-dimensional quantum light sources.However,the intricate interplay between strain and moirépotential remains partially unexplored.Here,we introduce a meticulously designed fusion of strain engineering and the twisted 2L-WSe_(2)/2L-WSe_(2) homobilayers,resulting in the precise localization of moiréexcitons.Employing low-temperature photoluminescence spectroscopy,we unveil the emergence of highly localized moiré-enhanced emission,characterized by the presence of multiple distinct emission lines.Furthermore,our investigation demonstrates the effective regulation of moirépotential depths through strain engineering,with the potential depths of strained and unstrained regions differing by 91%.By combining both experimental and theoretical approaches,our study elucidates the complex relationship between strain and moirépotential,thereby opening avenues for generating strain-induced moiréexciton single-photon sources.

关键词： moirésuperlattices strain engineering moiréexcitons moirépotential

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Unravelling the anisotropic light-matter interaction in strainengineered trihalide MoCl_(3)

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Nano Research 2024年第4期17卷 2981-2987页

作者： Yuxuan Sun Ziang Liu Zeya Li Feng Qin Junwei Huang Caiyu Qiu Hongtao Yuan National Laboratory of Solid State Microstructures Jiangsu Key Laboratory of Artificial Functional MaterialsCollege of Engineering and Applied Sciencesand Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210000China

Layered trihalides exhibit distinctive band structures and physical properties due to the sixfold coordinated 3d or 4d transition metal site and partially occupied d orbitals,holding great potential in condensed matter physics and advanced electronic applications.Prior research focused on trihalides with highly symmetric honeycomb-like structures,such as CrI3 andα-RuCl_(3),while the role of crystal anisotropy in trihalides remains elusive.In particular,the trihalide MoCl_(3) manifests strong in-plane crystal anisotropy with the largest difference in Mo–Mo interatomic distances.Research on such material is imperative to address the lack of investigations on the effect of anisotropy on the properties of trihalides.Herein,we demonstrated the anisotropy of MoCl_(3) through polarized Raman spectroscopy and further tuned the phonon frequency via strain engineering.We showed the Raman intensity exhibits twofold symmetry under parallel configuration and fourfold symmetry under perpendicular configuration with changing the polarization angle of incident light.Furthermore,we found that the phonon frequencies of MoCl_(3) decrease gradually and linearly with applying uniaxial tensile strain along the axis of symmetry in the MoCl_(3) crystal,while those frequencies increase with uniaxial tensile strain applied perpendicularly.Our results shed light on the manipulation of anisotropic light-matter interactions via strain engineering,and lay a foundation for further exploration of the anisotropy of trihalides and the modulation of their electronic,optical,and magnetic properties.

关键词： layered trihalide MoCl_(3) polarized Raman spectroscopy strain engineering anisotropy

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strain engineering of two-dimensional materials:Methods,properties,and applications

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InfoMat 2021年第4期3卷 397-420页

作者： Shengxue Yang Yujia Chen Chengbao Jiang School of Materials Science and engineering Beihang UniversityBeijingChina

Two dimensional(2D)materials have attracted extensive research interests due to their excellent properties related to unique structure.strain engineering,as an important strategy for tuning the lattice and electronic structure of 2D mate-rials,has been widely used in the modulation of physical properties,which broadens their applications in flexible nanoelectronic and optoelectronic devices.In this review,we fist summari ze the methods of inducing strain to 2D materials and discuss the advantages and problems of various methods.We then introduce the strain induced effects on optical,electrical,and magnetic proper-ties,together with the phase transition of 2D materials.Finally,we ilustrate the potential applications of strained 2D materials and further look forward to their opportunities and challenges in practical applications in the future.

关键词： 2D materials photodetector piezoresistive effect strain engineering strain sensor

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