Low temperature photoluminescence （PL） measurements have been performed for a set of GaN/AlxGal xN quantum wells （QWs）. The experimental results show that the optical full width at half maximum （FWHM） increases ...Low temperature photoluminescence （PL） measurements have been performed for a set of GaN/AlxGal xN quantum wells （QWs）. The experimental results show that the optical full width at half maximum （FWHM） increases relatively rapidly with increasing A1 composition in the AlxGal xN barrier, and increases only slightly with increasing GaN well width. A model considering the interface roughness is used to interpret the experimental results. In the model, the FWHM＇s broadening caused by the interface roughness is calculated based on the triangle potential well approximation. We find that the calculated results accord with the experimental results well.展开更多
The ρ(NH2) infrared(IR) frequencies and the corresponding full width at half maximum(FWHM) values for(CH3)2 NH2 FeⅢ M Ⅱ(HCOO)6(DMFe M, M = Ni, Zn, Cu, Fe, and Mg) are analyzed at various temperatures by using the e...The ρ(NH2) infrared(IR) frequencies and the corresponding full width at half maximum(FWHM) values for(CH3)2 NH2 FeⅢ M Ⅱ(HCOO)6(DMFe M, M = Ni, Zn, Cu, Fe, and Mg) are analyzed at various temperatures by using the experimental data from the literature. For the analysis of the IR frequencies of the ρ(NH2) mode which is associated with the structural phase transitions in those metal structures, the temperature dependence of the mode frequency is assumed as an order parameter and the IR frequencies are calculated by using the molecular field theory. Also, the temperature dependence of the IR frequencies and of the damping constant as calculated from the models of pseudospin(dynamic disorder of dimethylammonium(DMA+) cations)–phonon coupling(PS) and of the energy fluctuation(EF), is fitted to the observed data for the wavenumber and FWHM of the ρ(NH2) IR mode of the niccolites studied here. We find that the observed behavior of the IR frequencies and the FWHM of this mode can be described adequately by the models studied for the crystalline structures of interest. This method of calculating the frequencies(IR and Raman) and FWHM of modes which are responsible for the phase transitions can also be applied to some other metal organic frameworks.展开更多
Here we propose a new concept of"molecule aging":with some special treatment,a molecule could be"aged"by losing some unknown tiny particles or pieces from atoms in the molecule,Such"aging"...Here we propose a new concept of"molecule aging":with some special treatment,a molecule could be"aged"by losing some unknown tiny particles or pieces from atoms in the molecule,Such"aging"or loss of unknown tiny particles does not change apparently its molecular structure or chemical composition,but some physicochemical properties could be changed irreversibly.We further confirm such"molecule aging"via a long-term electron attacking to age water(H_(2)O)molecules.The IR spectra show no structural difference between the fresh water and the aged one,while the NMR spectra show that the electron attacking can decrease the size of water clusters.Such facts indicate that the electron attacking indeed can"affect"the structure of water molecule slightly but without damaging to its basic molecule frame.Further exploration reveals that the hydrogen evolution reaction(HER)activity of the aged water molecule is lower than the fresh water on the same Pt/C electrocatalyst.The density functional theory calculations indicate that the shortened O-H bond in H_(2)O indeed can present lower HER activity,so the observed size decrease of water clusters from NMR probably could be attributed to the shortening of O-H bond in water molecules.Such results indicate significantly that the molecule aging can produce materials with new functions for new possible applications.展开更多
Due to its ubiquitous occurrence in igneous,metamorphic,and sedimentary rocks and its wide application in geochronology and geochemistry,zircon has become the most widely used accessory mineral in the geological commu...Due to its ubiquitous occurrence in igneous,metamorphic,and sedimentary rocks and its wide application in geochronology and geochemistry,zircon has become the most widely used accessory mineral in the geological community.Nevertheless,the decay of U and Th causes radiation damage to the zircon structure,resulting in various degrees of metamictization,which can affect the accuracy of U–Pb dates and Hf and O isotope results.If the degree of zircon radiation damage can be quantified,the influence on geochemical analyses can be evaluated,and the results can be corrected more precisely.In this paper,synthetic and natural zircon crystals with different crystallization ages were selected for Raman spectroscopy analysis,cathodoluminescence imaging,and determination of the U and Th concentrations.The results show that Raman FWHM(full width at half bandmaximum)and Raman shift correlate with alpha dose(Da)ofzirconsfollowingtheseequations,FWHM=44.36(±2.32)×[1-exp(-2.74×Da)]-+1.7(±0.19),Raman Shift=-6.53×Da+1007.69.Analysis of synthetic zircon crystals shows that doped REEs(rare earth elements and P)can also lead to an increase in the FWHM.However,this effect can be ignored for natural zircon samples with REE contents at a normal level of hundreds to a few thousand ppm.The FWHM and Raman shift can be used as proxies to measure the degree of zircon radiation damage.Using the updated equations to calculate the latest age when zircon began to accumulate radiation damage,a more accurate and more meaningful“radiation damage age”can be obtained.展开更多
基金supported by the National Basic Research Program of China(Grant No.2012CB619306)the National High Technology Research and Development Program of China(Grant No.2011AA03A101)
文摘Low temperature photoluminescence （PL） measurements have been performed for a set of GaN/AlxGal xN quantum wells （QWs）. The experimental results show that the optical full width at half maximum （FWHM） increases relatively rapidly with increasing A1 composition in the AlxGal xN barrier, and increases only slightly with increasing GaN well width. A model considering the interface roughness is used to interpret the experimental results. In the model, the FWHM＇s broadening caused by the interface roughness is calculated based on the triangle potential well approximation. We find that the calculated results accord with the experimental results well.
文摘The ρ(NH2) infrared(IR) frequencies and the corresponding full width at half maximum(FWHM) values for(CH3)2 NH2 FeⅢ M Ⅱ(HCOO)6(DMFe M, M = Ni, Zn, Cu, Fe, and Mg) are analyzed at various temperatures by using the experimental data from the literature. For the analysis of the IR frequencies of the ρ(NH2) mode which is associated with the structural phase transitions in those metal structures, the temperature dependence of the mode frequency is assumed as an order parameter and the IR frequencies are calculated by using the molecular field theory. Also, the temperature dependence of the IR frequencies and of the damping constant as calculated from the models of pseudospin(dynamic disorder of dimethylammonium(DMA+) cations)–phonon coupling(PS) and of the energy fluctuation(EF), is fitted to the observed data for the wavenumber and FWHM of the ρ(NH2) IR mode of the niccolites studied here. We find that the observed behavior of the IR frequencies and the FWHM of this mode can be described adequately by the models studied for the crystalline structures of interest. This method of calculating the frequencies(IR and Raman) and FWHM of modes which are responsible for the phase transitions can also be applied to some other metal organic frameworks.
基金funded by the Key Research and Development Program sponsored by the Ministry of Science and Technology(MOST)(2022YFA1203400)National Natural Science Foundation of China(21925205,22072145,21372155,22005294,and 22102172)。
文摘Here we propose a new concept of"molecule aging":with some special treatment,a molecule could be"aged"by losing some unknown tiny particles or pieces from atoms in the molecule,Such"aging"or loss of unknown tiny particles does not change apparently its molecular structure or chemical composition,but some physicochemical properties could be changed irreversibly.We further confirm such"molecule aging"via a long-term electron attacking to age water(H_(2)O)molecules.The IR spectra show no structural difference between the fresh water and the aged one,while the NMR spectra show that the electron attacking can decrease the size of water clusters.Such facts indicate that the electron attacking indeed can"affect"the structure of water molecule slightly but without damaging to its basic molecule frame.Further exploration reveals that the hydrogen evolution reaction(HER)activity of the aged water molecule is lower than the fresh water on the same Pt/C electrocatalyst.The density functional theory calculations indicate that the shortened O-H bond in H_(2)O indeed can present lower HER activity,so the observed size decrease of water clusters from NMR probably could be attributed to the shortening of O-H bond in water molecules.Such results indicate significantly that the molecule aging can produce materials with new functions for new possible applications.
基金supported by funds from the Strategic Priority Research Program(B)of the Chinese Academy of Sciences(XDB 41000000)the National Natural Science Foundation of China(41973002,41772187)+1 种基金the Fundamental Research Funds for the Central UniversitiesNatural Sciences and Engineering Research Council of Canada(NSERC)Discovery Grant to J.M Hanchar(RGPIN/004649-2015)。
文摘Due to its ubiquitous occurrence in igneous,metamorphic,and sedimentary rocks and its wide application in geochronology and geochemistry,zircon has become the most widely used accessory mineral in the geological community.Nevertheless,the decay of U and Th causes radiation damage to the zircon structure,resulting in various degrees of metamictization,which can affect the accuracy of U–Pb dates and Hf and O isotope results.If the degree of zircon radiation damage can be quantified,the influence on geochemical analyses can be evaluated,and the results can be corrected more precisely.In this paper,synthetic and natural zircon crystals with different crystallization ages were selected for Raman spectroscopy analysis,cathodoluminescence imaging,and determination of the U and Th concentrations.The results show that Raman FWHM(full width at half bandmaximum)and Raman shift correlate with alpha dose(Da)ofzirconsfollowingtheseequations,FWHM=44.36(±2.32)×[1-exp(-2.74×Da)]-+1.7(±0.19),Raman Shift=-6.53×Da+1007.69.Analysis of synthetic zircon crystals shows that doped REEs(rare earth elements and P)can also lead to an increase in the FWHM.However,this effect can be ignored for natural zircon samples with REE contents at a normal level of hundreds to a few thousand ppm.The FWHM and Raman shift can be used as proxies to measure the degree of zircon radiation damage.Using the updated equations to calculate the latest age when zircon began to accumulate radiation damage,a more accurate and more meaningful“radiation damage age”can be obtained.
