钙钛矿材料由于具有结构稳定、易于获取、成本低廉和易于合成等优点,在发光二极管、激光器和太阳能电池等光电器件领域具有广阔的应用前景。目前,部分适合UV-LED应用的钙钛矿具有结构不稳定性。为了寻找结构稳定的钙钛矿,此项研究利用...钙钛矿材料由于具有结构稳定、易于获取、成本低廉和易于合成等优点,在发光二极管、激光器和太阳能电池等光电器件领域具有广阔的应用前景。目前,部分适合UV-LED应用的钙钛矿具有结构不稳定性。为了寻找结构稳定的钙钛矿,此项研究利用第一性原理对无铅双钙钛矿Cs_(2)NaScX_(6)(X=Cl,Br,I)的电子及光学性质进行了理论计算。计算结果表明:Cs_(2)NaScX_(6)(X=Cl,Br,I)为直接带隙半导体,带隙值分别为5.545 e V(Cl)、4.549 eV(Br)和3.408 eV(I),Cs_(2)NaScI_(6)在紫外光范围内具有较强的光吸收。本研究内容为无铅A_(2)B^(I)B^(III)X_(6)型双钙钛矿成为UV-LED的候选材料提供理论支持。展开更多
Inorganic Cs_(2)SnI_(6) perovskite has exhibited substantial potential for light harvesting due to its exceptional optoelectronic properties and remarkable stability in ambient conditions.The charge transport characte...Inorganic Cs_(2)SnI_(6) perovskite has exhibited substantial potential for light harvesting due to its exceptional optoelectronic properties and remarkable stability in ambient conditions.The charge transport characteristics within perovskite films are subject to modulation by various factors,including crystalline orientation,morphology,and crystalline quality.Achieving preferred crystalline orientation and film morphology via a solution-based process is challenging for Cs_(2)SnI_(6) films.In this work,we employed thiourea as an additive to optimize crystal orientation,enhance film morphology,promote crystallization,and achieve phase purity.Thiourea lowers the surface energy of the(222)plane along the(111)direction,confirmed by x-ray diffraction,x-ray photoelectron spectroscopy,ultraviolet photoelectron spectroscopy studies,and density functional theory calculations.Varying thiourea concentration enables a bandgap tuning of Cs_(2)SnI_(6) from 1.52 eV to1.07 eV.This approach provides a novel method for utilizing Cs_(2)SnI_(6) films in high-performance optoelectronic devices.展开更多
Heterojunction construction,especially S-scheme heterojunction,represents an efficient universal strategy to achieve high-performance photocatalytic materials.For further performance stimulation of these well-designed...Heterojunction construction,especially S-scheme heterojunction,represents an efficient universal strategy to achieve high-performance photocatalytic materials.For further performance stimulation of these well-designed heterojunctions,modulating the interfacial internal electric field(IEF)to steer dynamic charge transfer represents a promising approach.Herein,we realized the precise regulation of Fermi level(E_(F))of the oxidation semiconductor(mesoporous WO_(3-x))by tailoring the concentration of oxygen vacancies(V_(O)),maximizing the IEF intensity in Cs_(2)CuBr_(4)@WO_(3-x)(CCB@WO_(3-x))S-scheme heterojunction.The augmented IEF affords a robust driving force for directional electron delivery,leading to boosted charge separation.Hence,the developed CCB@WO_(3-x)S-scheme heterojunction demonstrated outstanding photocatalytic CO_(2)reduction performance,with the electron consumption rate(Relectron)up to 390.34μmol g^(-1)h^(-1),which is 3.28 folds higher than that of pure CCB.An in-depth analysis of the S-scheme electron transfer mode was presented via theoretical investigations,electron spin resonance(ESR),photo-irradiated Kelvin probe force microscopy(KPFM),and in-situ X-ray photoelectron spectroscopy(XPS).Finally,the CO_(2)photoconversion route was explored in detail using in-situ diffuse reflectance infrared Fourier transform spectroscopy(DRIFTS)and DFT theoretical calculations.展开更多
The incorporation of commercial flame retardants into fiber-reinforced polymer(FRP)composites has been proposed as a potential solution to improve the latter’s poor flame resistance.However,this approach often poses ...The incorporation of commercial flame retardants into fiber-reinforced polymer(FRP)composites has been proposed as a potential solution to improve the latter’s poor flame resistance.However,this approach often poses a challenge,as it can adversely affect the mechanical properties of the FRP.Thus,balancing the need for improved flame resistance with the preservation of mechanical integrity remains a complex issue in FRP research.Addressing this critical concern,this study introduces a novel additive system featuring a combination of one-dimensional(1D)hollow tubular structured halloysite nanotubes(HNTs)and two-dimensional(2D)polygonal flake-shaped nano kaolinite(NKN).By employing a 1D/2D hybrid kaolinite nanoclay system,this research aims to simultaneously improve the flame retardancy and mechanical properties.This innovative approach offers several advantages.During combustion and pyrolysis processes,the 1D/2D hybrid kaolinite nanoclay system proves effective in reducing heat release and volatile leaching.Furthermore,the system facilitates the formation of reinforcing skeletons through a crosslinking mechanism during pyrolysis,resulting in the development of a compact char layer.This char layer acts as a protective barrier,enhancing the material’s resistance to heat and flames.In terms of mechanical properties,the multilayered polygonal flake-shaped 2D NKN plays a crucial role by impeding the formation of cracks that typically arise from vulnerable areas,such as adhesive phase particles.Simultaneously,the 1D HNT bridges these cracks within the matrix,ensuring the structural integrity of the composite material.In an optimal scenario,the homogeneously distributed 1D/2D hybrid kaolinite nanoclays exhibit remarkable results,with a 51.0%improvement in mode II fracture toughness(GIIC),indicating increased resistance to crack propagation.In addition,there is a 34.5%reduction in total heat release,signifying improved flame retardancy.This study represents a significant step forward in the field of composite materials.The innovative use of hybrid low-dimensional nanomaterials offers a promising avenue for the development of multifunctional composites.By carefully designing and incorporating these nanoclays,researchers can potentially create a new generation of FRP composites that excel in both flame resistance and mechanical strength.展开更多
文摘钙钛矿材料由于具有结构稳定、易于获取、成本低廉和易于合成等优点,在发光二极管、激光器和太阳能电池等光电器件领域具有广阔的应用前景。目前,部分适合UV-LED应用的钙钛矿具有结构不稳定性。为了寻找结构稳定的钙钛矿,此项研究利用第一性原理对无铅双钙钛矿Cs_(2)NaScX_(6)(X=Cl,Br,I)的电子及光学性质进行了理论计算。计算结果表明:Cs_(2)NaScX_(6)(X=Cl,Br,I)为直接带隙半导体,带隙值分别为5.545 e V(Cl)、4.549 eV(Br)和3.408 eV(I),Cs_(2)NaScI_(6)在紫外光范围内具有较强的光吸收。本研究内容为无铅A_(2)B^(I)B^(III)X_(6)型双钙钛矿成为UV-LED的候选材料提供理论支持。
基金Project supported by the National Natural Science Foundation of China (Grant Nos.12174275,62174113,61874139,61904201,and 11875088)Guangdong Basic and Applied Basic Research Foundation (Grant No.2019B1515120057)。
文摘Inorganic Cs_(2)SnI_(6) perovskite has exhibited substantial potential for light harvesting due to its exceptional optoelectronic properties and remarkable stability in ambient conditions.The charge transport characteristics within perovskite films are subject to modulation by various factors,including crystalline orientation,morphology,and crystalline quality.Achieving preferred crystalline orientation and film morphology via a solution-based process is challenging for Cs_(2)SnI_(6) films.In this work,we employed thiourea as an additive to optimize crystal orientation,enhance film morphology,promote crystallization,and achieve phase purity.Thiourea lowers the surface energy of the(222)plane along the(111)direction,confirmed by x-ray diffraction,x-ray photoelectron spectroscopy,ultraviolet photoelectron spectroscopy studies,and density functional theory calculations.Varying thiourea concentration enables a bandgap tuning of Cs_(2)SnI_(6) from 1.52 eV to1.07 eV.This approach provides a novel method for utilizing Cs_(2)SnI_(6) films in high-performance optoelectronic devices.
基金This work was financially supported by the National Natural Science Foundation of China(51972213)Natural Science Foundation of Shanghai(22ZR1460700).
文摘Heterojunction construction,especially S-scheme heterojunction,represents an efficient universal strategy to achieve high-performance photocatalytic materials.For further performance stimulation of these well-designed heterojunctions,modulating the interfacial internal electric field(IEF)to steer dynamic charge transfer represents a promising approach.Herein,we realized the precise regulation of Fermi level(E_(F))of the oxidation semiconductor(mesoporous WO_(3-x))by tailoring the concentration of oxygen vacancies(V_(O)),maximizing the IEF intensity in Cs_(2)CuBr_(4)@WO_(3-x)(CCB@WO_(3-x))S-scheme heterojunction.The augmented IEF affords a robust driving force for directional electron delivery,leading to boosted charge separation.Hence,the developed CCB@WO_(3-x)S-scheme heterojunction demonstrated outstanding photocatalytic CO_(2)reduction performance,with the electron consumption rate(Relectron)up to 390.34μmol g^(-1)h^(-1),which is 3.28 folds higher than that of pure CCB.An in-depth analysis of the S-scheme electron transfer mode was presented via theoretical investigations,electron spin resonance(ESR),photo-irradiated Kelvin probe force microscopy(KPFM),and in-situ X-ray photoelectron spectroscopy(XPS).Finally,the CO_(2)photoconversion route was explored in detail using in-situ diffuse reflectance infrared Fourier transform spectroscopy(DRIFTS)and DFT theoretical calculations.
基金supported by the National Natural Science Foundation of China(11872279,12172258,and 11625210).
文摘The incorporation of commercial flame retardants into fiber-reinforced polymer(FRP)composites has been proposed as a potential solution to improve the latter’s poor flame resistance.However,this approach often poses a challenge,as it can adversely affect the mechanical properties of the FRP.Thus,balancing the need for improved flame resistance with the preservation of mechanical integrity remains a complex issue in FRP research.Addressing this critical concern,this study introduces a novel additive system featuring a combination of one-dimensional(1D)hollow tubular structured halloysite nanotubes(HNTs)and two-dimensional(2D)polygonal flake-shaped nano kaolinite(NKN).By employing a 1D/2D hybrid kaolinite nanoclay system,this research aims to simultaneously improve the flame retardancy and mechanical properties.This innovative approach offers several advantages.During combustion and pyrolysis processes,the 1D/2D hybrid kaolinite nanoclay system proves effective in reducing heat release and volatile leaching.Furthermore,the system facilitates the formation of reinforcing skeletons through a crosslinking mechanism during pyrolysis,resulting in the development of a compact char layer.This char layer acts as a protective barrier,enhancing the material’s resistance to heat and flames.In terms of mechanical properties,the multilayered polygonal flake-shaped 2D NKN plays a crucial role by impeding the formation of cracks that typically arise from vulnerable areas,such as adhesive phase particles.Simultaneously,the 1D HNT bridges these cracks within the matrix,ensuring the structural integrity of the composite material.In an optimal scenario,the homogeneously distributed 1D/2D hybrid kaolinite nanoclays exhibit remarkable results,with a 51.0%improvement in mode II fracture toughness(GIIC),indicating increased resistance to crack propagation.In addition,there is a 34.5%reduction in total heat release,signifying improved flame retardancy.This study represents a significant step forward in the field of composite materials.The innovative use of hybrid low-dimensional nanomaterials offers a promising avenue for the development of multifunctional composites.By carefully designing and incorporating these nanoclays,researchers can potentially create a new generation of FRP composites that excel in both flame resistance and mechanical strength.
