Fabrication of high-quality optics puts a strong demand on high-throughput detection of macroscopic bulk defects in optical components.A dark-field line confocal imaging method is proposed with two distinct advantage...Fabrication of high-quality optics puts a strong demand on high-throughput detection of macroscopic bulk defects in optical components.A dark-field line confocal imaging method is proposed with two distinct advantages:(ⅰ)a point-to-line confocal scheme formed by a columnar elliptical mirror and an optical fiber bundle breaks through the constraint on light collection angle and field of view in the traditional line confocal microscopy using an objective,allowing for an extended confocal line field of more than 100 mm while maintaining a light collection angle of 27°;(ⅱ)the bulk defects are independently illuminated as a function of time to eliminate the cross talk in the direction of the confocal slit,thus preserving point confocality and showing the optical section thicknesses to be 162μm in the axial direction,and 19 and 22μm in the orthogonal transverse directions.The experimental results verify that the method has a minimum detectable bulk defect of less than 5μm and an imaging efficiency of 400 mm2/s.The method shows great potential in high-throughput and highsensitivity bulk defects detection.展开更多
Using the first-principles method, we investigate the thermal stability of cation point defects in LaAlO3 bulk and films. The calculated densities of states indicate that cation vacancies and antisites act as acceptor...Using the first-principles method, we investigate the thermal stability of cation point defects in LaAlO3 bulk and films. The calculated densities of states indicate that cation vacancies and antisites act as acceptors. The formation energies show that cation vacancies are energetically favorable in bulk LaAIO3 under O-rich conditions, while the AILa antisites are stable in reducing atmosphere. However, the same behavior does not appear in the case of LaAlO3 films. For LaO-terminated LaAlOa fihns, La or AI vacancies remain energetically favorable under O-rich and O-deficient conditions. For an AlO2-terminated surface, under O-rich condition the La interstitial atom is repelled from the outmost layer after optimization, which releases more stress leading to the decrease of total energy of the system. An AI interstitial atom has a smaller radius so that it can stay in distorted films and becomes more stable under O-deficient conditions, and the Al interstitial atoms can be another possible carrier source contribution to the conductivity of n-type interface under an ultrahigh vacuum. La and Al antisites have similar formation energy regardless of oxygen pressure. The results would be helpful to understand the defect structures of LaAlOa-related materials.展开更多
Among various advanced oxidation processes(AOPs),heterogeneous catalytic ozonation has garnered extensive attention in wastewater treatment owing to its broad pH range applicability and the elimination of the need for...Among various advanced oxidation processes(AOPs),heterogeneous catalytic ozonation has garnered extensive attention in wastewater treatment owing to its broad pH range applicability and the elimination of the need for additional energy input.Enhancing catalyst activity by introducing oxygen vacancies has been used extensively in heterogeneous catalytic ozonation.This paper reviews prevalent methods for the construction and characterization of oxygen vacancies.Based on a thorough examination of existing research,the role of oxygen vacancies is categorized according to their primary mechanisms of action in heterogeneous catalytic ozonation.For example,modulation of the catalyst electronic structure to enhance electron transfer;participation in the reaction as an active site to generate radicals and non-radicals;and exposure of more metal sites to enhance the reaction.Lastly,the paper delineates the limitations and future research directions concerning the role of oxygen vacancies in catalytic ozonation.This review addresses the gap in existing literature concerning the role of oxygen vacancies in catalytic ozone systems,establishes a comprehensive theoretical framework to aid in the design of efficient ozone catalysts,and delves into the functionality of oxygen vacancies in heterogeneous catalytic ozone reactions.展开更多
Here,we report a mixed GAI and MAI(MGM)treatment method by forming a 2D alternating-cation-interlayer(ACI)phase(n=2)perovskite layer on the 3D perovskite,modulating the bulk and interfacial defects in the perovskite f...Here,we report a mixed GAI and MAI(MGM)treatment method by forming a 2D alternating-cation-interlayer(ACI)phase(n=2)perovskite layer on the 3D perovskite,modulating the bulk and interfacial defects in the perovskite films simultaneously,leading to the suppressed nonradiative recombination,longer lifetime,higher mobility,and reduced trap density.Consequently,the devices’performance is enhanced to 24.5%and 18.7%for 0.12 and 64 cm^(2),respectively.In addition,the MGM treatment can be applied to a wide range of perovskite compositions,including MA-,FA-,MAFA-,and CsFAMA-based lead halide perovskites,making it a general method for preparing efficient perovskite solar cells.Without encapsulation,the treated devices show improved stabilities.展开更多
High entropy bulk metallic glasses show promising mechanical and physical properties.Dynamic mechanical properties of Ti_（16.7）Zr_（16.7）Hf_（16.7）Cu_（16.7）Ni_（16.7）Be_（16.7）high entropy bulk metallic glass ...High entropy bulk metallic glasses show promising mechanical and physical properties.Dynamic mechanical properties of Ti_（16.7）Zr_（16.7）Hf_（16.7）Cu_（16.7）Ni_（16.7）Be_（16.7）high entropy bulk metallic glass were investigated by mechanical spectroscopy（or called dynamic mechanical analysis）.The main（α）relaxation was observed in the framework of the loss modulus G″,which is related to the dynamic glass transition behaviour for the glassy materials.From physical model point of view,dynamic mechanical properties of the Ti_（16.7）Zr_（16.7）Hf_（16.7）Cu_（16.7）Ni_（16.7）Be_（16.7）high entropy bulk metallic glass show good agreement compared with the quasi-point defects theory.展开更多
The commercialization of perovskite solar cells(PSCs)is hindered by the instability of organic components and the resource-intensive nature of experimental optimization.Machine learning(ML)is revolutionizing the disco...The commercialization of perovskite solar cells(PSCs)is hindered by the instability of organic components and the resource-intensive nature of experimental optimization.Machine learning(ML)is revolutionizing the discovery and optimization of photovoltaic devices by reducing reliance on conventional trial-and-error approaches.This study aims to optimize the performance of CsPbI₃-based all-inorganic PSCs using a combined SCAPS-1D and machine learning(ML)approach.We generated 56,390 unique device configurations via SCAPS-1D simulations,varying layer thicknesses and defect densities.Five ML models were trained,with XGBoost achieving the highest accuracy(R^(2)=0.999).Feature importance was analyzed using SHAP.Optimization increased the PCE from 15.15%to 19.16%,with the perovskite layer thickness(2μm)and defect density(<10^(15)cm^(-3))identified as critical parameters.This study highlights the potential of ML-driven optimization in perovskite solar cells,offering a systematic and data-driven approach to enhancing device efficiency and accelerating the development of next-generation photovoltaics.展开更多
Silver sulfide(Ag_(2)S)is one of the best photovoltaic materials in terms of elemental composition and both chemical stability and device stability.However,the lack of suitable film processing methods severely limits ...Silver sulfide(Ag_(2)S)is one of the best photovoltaic materials in terms of elemental composition and both chemical stability and device stability.However,the lack of suitable film processing methods severely limits the power conversion efficiency(PCE)improvement of Ag_(2)S-based devices.Here,we propose a specific solvent engineering train for high-quality Ag_(2)S absorber films by precisely tuning the dimethyl sulfoxide(DMSO)/N,Ndimethylformamide(DMF)constituent and post-deposition annealing temperature.A preferential transition in crystal orientation from(012)to(103)crystal planes is found to play a key role in photo-induced carrier behavior.The film surface morphology and grain size are fine-tuned,while the bulk defect concentration and mitigated interface carrier recombination are well suppressed.The optimized simple indium tin oxide(ITO)/Ag_(2)S/2,2’,7,7’-tetrakis(N,N-di-p-methoxyphenylamine)-9,9’-spirobifluorene(Spiro-OMeTAD)/Au device exhibits a significant increase in PCE from 0.77%to 2.57%,which is currently the highest value among the reported literatures of Ag_(2)S solar cells without an electron transport layer.展开更多
基金supported by the National Natural Science Foundation of China(No.52275528)the Hefei Municipal Natural Science Foundation(No.2022018)+1 种基金the Open Foundation of Key Laboratory of High-Power Laser and Physics,Chinese Academy of Sciences(No.SGKF202108)the China Scholarship Council(No.202206695004)。
文摘Fabrication of high-quality optics puts a strong demand on high-throughput detection of macroscopic bulk defects in optical components.A dark-field line confocal imaging method is proposed with two distinct advantages:(ⅰ)a point-to-line confocal scheme formed by a columnar elliptical mirror and an optical fiber bundle breaks through the constraint on light collection angle and field of view in the traditional line confocal microscopy using an objective,allowing for an extended confocal line field of more than 100 mm while maintaining a light collection angle of 27°;(ⅱ)the bulk defects are independently illuminated as a function of time to eliminate the cross talk in the direction of the confocal slit,thus preserving point confocality and showing the optical section thicknesses to be 162μm in the axial direction,and 19 and 22μm in the orthogonal transverse directions.The experimental results verify that the method has a minimum detectable bulk defect of less than 5μm and an imaging efficiency of 400 mm2/s.The method shows great potential in high-throughput and highsensitivity bulk defects detection.
基金Supported by the Hebei Provincial Young Top-Notch Talent Support Program under Grant No BJRC2016the Innovative Funding Project of Graduates of Hebei University under Grant No hbu2018ss62the Midwest Universities Comprehensive Strength Promotion Project
文摘Using the first-principles method, we investigate the thermal stability of cation point defects in LaAlO3 bulk and films. The calculated densities of states indicate that cation vacancies and antisites act as acceptors. The formation energies show that cation vacancies are energetically favorable in bulk LaAIO3 under O-rich conditions, while the AILa antisites are stable in reducing atmosphere. However, the same behavior does not appear in the case of LaAlO3 films. For LaO-terminated LaAlOa fihns, La or AI vacancies remain energetically favorable under O-rich and O-deficient conditions. For an AlO2-terminated surface, under O-rich condition the La interstitial atom is repelled from the outmost layer after optimization, which releases more stress leading to the decrease of total energy of the system. An AI interstitial atom has a smaller radius so that it can stay in distorted films and becomes more stable under O-deficient conditions, and the Al interstitial atoms can be another possible carrier source contribution to the conductivity of n-type interface under an ultrahigh vacuum. La and Al antisites have similar formation energy regardless of oxygen pressure. The results would be helpful to understand the defect structures of LaAlOa-related materials.
基金support from the Key R&D Program of Zhejiang province(No.2024C03136).
文摘Among various advanced oxidation processes(AOPs),heterogeneous catalytic ozonation has garnered extensive attention in wastewater treatment owing to its broad pH range applicability and the elimination of the need for additional energy input.Enhancing catalyst activity by introducing oxygen vacancies has been used extensively in heterogeneous catalytic ozonation.This paper reviews prevalent methods for the construction and characterization of oxygen vacancies.Based on a thorough examination of existing research,the role of oxygen vacancies is categorized according to their primary mechanisms of action in heterogeneous catalytic ozonation.For example,modulation of the catalyst electronic structure to enhance electron transfer;participation in the reaction as an active site to generate radicals and non-radicals;and exposure of more metal sites to enhance the reaction.Lastly,the paper delineates the limitations and future research directions concerning the role of oxygen vacancies in catalytic ozonation.This review addresses the gap in existing literature concerning the role of oxygen vacancies in catalytic ozone systems,establishes a comprehensive theoretical framework to aid in the design of efficient ozone catalysts,and delves into the functionality of oxygen vacancies in heterogeneous catalytic ozone reactions.
基金supported by the National Key Research and Development Program of China(2021YFB3800103)the Fundamental Research Funds for the Central Universities(000-0903069032)the National Natural Science Foundation of China(52203237).
文摘Here,we report a mixed GAI and MAI(MGM)treatment method by forming a 2D alternating-cation-interlayer(ACI)phase(n=2)perovskite layer on the 3D perovskite,modulating the bulk and interfacial defects in the perovskite films simultaneously,leading to the suppressed nonradiative recombination,longer lifetime,higher mobility,and reduced trap density.Consequently,the devices’performance is enhanced to 24.5%and 18.7%for 0.12 and 64 cm^(2),respectively.In addition,the MGM treatment can be applied to a wide range of perovskite compositions,including MA-,FA-,MAFA-,and CsFAMA-based lead halide perovskites,making it a general method for preparing efficient perovskite solar cells.Without encapsulation,the treated devices show improved stabilities.
基金Item Sponsored by National Natural Science Foundation of China(51401192,51301136)Fundamental Research Funds for the Central Universities of China(3102015ZY027,3102015BJ(Ⅱ)JGZ019)+2 种基金Aerospace Technology Foundation of China(N2014KC0068,2015ZF53072)Space Technology Foundation of China(N2014KC0073)Project of State Key Laboratory of Materials Processing and Die & Mould Technology,Huazhong University of Science and Technology(P2016-12)
文摘High entropy bulk metallic glasses show promising mechanical and physical properties.Dynamic mechanical properties of Ti_（16.7）Zr_（16.7）Hf_（16.7）Cu_（16.7）Ni_（16.7）Be_（16.7）high entropy bulk metallic glass were investigated by mechanical spectroscopy（or called dynamic mechanical analysis）.The main（α）relaxation was observed in the framework of the loss modulus G″,which is related to the dynamic glass transition behaviour for the glassy materials.From physical model point of view,dynamic mechanical properties of the Ti_（16.7）Zr_（16.7）Hf_（16.7）Cu_（16.7）Ni_（16.7）Be_（16.7）high entropy bulk metallic glass show good agreement compared with the quasi-point defects theory.
基金supported by the EU Horizon2020 Project Marketplace,No.760173.
文摘The commercialization of perovskite solar cells(PSCs)is hindered by the instability of organic components and the resource-intensive nature of experimental optimization.Machine learning(ML)is revolutionizing the discovery and optimization of photovoltaic devices by reducing reliance on conventional trial-and-error approaches.This study aims to optimize the performance of CsPbI₃-based all-inorganic PSCs using a combined SCAPS-1D and machine learning(ML)approach.We generated 56,390 unique device configurations via SCAPS-1D simulations,varying layer thicknesses and defect densities.Five ML models were trained,with XGBoost achieving the highest accuracy(R^(2)=0.999).Feature importance was analyzed using SHAP.Optimization increased the PCE from 15.15%to 19.16%,with the perovskite layer thickness(2μm)and defect density(<10^(15)cm^(-3))identified as critical parameters.This study highlights the potential of ML-driven optimization in perovskite solar cells,offering a systematic and data-driven approach to enhancing device efficiency and accelerating the development of next-generation photovoltaics.
基金financially supported by the National Natural Science Foundation of China(Nos.52472255,52072327,and 22309158)Key Research and Development Project of Henan Province(No.231111232100)+4 种基金Zhongyuan Thousand Talents(Zhongyuan Scholars)Program of Henan Province(No.202101510004)Natural Science Foundation of Henan Province(Nos.242300421715 and 232300420099)Academic Degrees&Graduate Education Reform Project of Henan Province(No.2021SJGLX060Y)Key Scientific Research Projects of Henan Province Higher Education Institutions(Nos.24A150040,23B430009,24B430017,and 24A530008)Technology Research and Development Program of Henan province(No.242102310466).
文摘Silver sulfide(Ag_(2)S)is one of the best photovoltaic materials in terms of elemental composition and both chemical stability and device stability.However,the lack of suitable film processing methods severely limits the power conversion efficiency(PCE)improvement of Ag_(2)S-based devices.Here,we propose a specific solvent engineering train for high-quality Ag_(2)S absorber films by precisely tuning the dimethyl sulfoxide(DMSO)/N,Ndimethylformamide(DMF)constituent and post-deposition annealing temperature.A preferential transition in crystal orientation from(012)to(103)crystal planes is found to play a key role in photo-induced carrier behavior.The film surface morphology and grain size are fine-tuned,while the bulk defect concentration and mitigated interface carrier recombination are well suppressed.The optimized simple indium tin oxide(ITO)/Ag_(2)S/2,2’,7,7’-tetrakis(N,N-di-p-methoxyphenylamine)-9,9’-spirobifluorene(Spiro-OMeTAD)/Au device exhibits a significant increase in PCE from 0.77%to 2.57%,which is currently the highest value among the reported literatures of Ag_(2)S solar cells without an electron transport layer.
