In order to obtain high efficiency of organic light-emitting diodes and organic solar cells,a series of DPP-based four-coordinate organoboron compounds have been designed for photoelectric functional materials.The eff...In order to obtain high efficiency of organic light-emitting diodes and organic solar cells,a series of DPP-based four-coordinate organoboron compounds have been designed for photoelectric functional materials.The effects of electron-donating and-withdrawing substituent on the electronic and optical properties have been investigated by using density functional theory(DFT)and time-dependent DFT(TD-DFT)approaches systematically.It turned out that electron-donating and-withdrawing groups can tune effectively the frontier molecular orbital(FMO)energy level,energy gap,and absorption and fluorescence spectra.The introduction of electron-withdrawing groups for the parent molecule HBDPP(2,5-bis(diphenylboryl)-3,6-bis(pyridin-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione)favors the decrease for the FMO energy(E_(LUMO)and E_(HOMO)),HOMO-LUMO gaps(E_(g)),and the downhill energetic driving force(ΔEL-L),while the electron-donating groups can increase E_(LUMO),E_(HOMO),E_(g),andΔEL-L compared with that of HBDPP,respectively.The absorption and fluorescence spectra of the electron-withdrawing substituted derivatives exhibit bathochromic shifts,while the absorption and fluorescence spectra of the electrondonating substituted derivatives show hypsochromic shifts compared with the parent molecule HBDPP,respectively.Furthermore,the stronger the electron-withdrawing/donating ability of group is,the more significant the effect in the optoelectronic properties.展开更多
The creep strain of conventionally treated 2195 alloy is very low,increasing the difficulty of manufacturing Al-Cu-Li alloy sheet parts by creep age forming.Therefore,finding a solution to improve the creep formabilit...The creep strain of conventionally treated 2195 alloy is very low,increasing the difficulty of manufacturing Al-Cu-Li alloy sheet parts by creep age forming.Therefore,finding a solution to improve the creep formability of Al-Cu-Li alloy is vital.A thorough comparison of the effects of cryo-deformation and ambient temperature large pre-deformation(LPD)on the creep ageing response in the 2195 alloy sheet at 160℃with different stresses has been made.The evolution of dislocations and precipitates during creep ageing of LPD alloys are revealed by X-ray diffraction and transmission electron microscopy.High-quality 2195 alloy sheet largely pre-deformed by 80%without edge-cracking is obtained by cryo-rolling at liquid nitrogen temperature,while severe edge-cracking occurs during room temperature rolling.The creep formability and strength of the 2195 alloy are both enhanced by introducing pre-existing dislocations with a density over 1.4×10^(15)m^(−2).At 160℃and 150 MPa,creep strain and creep-aged strength generally increases by 4−6 times and 30−50 MPa in the LPD sample,respectively,compared to conventional T3 alloy counterpart.The elongation of creep-aged LPD sample is low but remains relevant for application.The high-density dislocations,though existing in the form of dislocation tangles,promote the formation of refined T1 precipitates with a uniform dispersion.展开更多
The influence of Mo and ZrO_(2)nanoparticles addition on the interfacial properties and shear strength of Sn58Bi solder joint was investigated.The interfacial microstructures of Sn58Bi/Cu,Sn58Bi+Mo/Cu and Sn58Bi+ZrO_(...The influence of Mo and ZrO_(2)nanoparticles addition on the interfacial properties and shear strength of Sn58Bi solder joint was investigated.The interfacial microstructures of Sn58Bi/Cu,Sn58Bi+Mo/Cu and Sn58Bi+ZrO_(2)/Cu solder joints were analysed using a scanning electron microscope(SEM)coupled with energy dispersive X-ray(EDX)and the X-ray diffraction(XRD).Intermetallic compounds(IMCs)of MoSn_(2)are detected in the Sn58Bi+Mo/Cu solder joint,while SnZr,Zr_(5)Sn_(3),ZrCu and ZrSn_(2)are detected in Sn58Bi+ZrO_(2)/Cu solder joint.IMC layers for both composite solders comprise of Cu_(6)Sn_(5) and Cu_(3)Sn.The SEM images of these layers were used to measure the IMC layer’s thickness.The average IMC layer’s thickness is 1.4431μm for Sn58Bi+Mo/Cu and 0.9112μm for Sn58Bi+ZrO_(2)/Cu solder joints.Shear strength of the solder joints was investigated via the single shear lap test method.The average maximum load and shear stress of the Sn58Bi+Mo/Cu and Sn58Bi+ZrO_(2)/Cu solder joints are increased by 33%and 69%,respectively,as compared to those of the Sn58Bi/Cu solder joint.By comparing both composite solder joints,the latter prevails better as adding smaller sized ZrO_(2)nanoparticles improves the interfacial properties granting a stronger solder joint.展开更多
基金the National Natural Science Foundation of China(21563002)the Natural Science Foundation of Inner Mongolia Autonomous Region(2021LHMS02001)the Research Program of Sciences at Universities of Inner Mongolia Autonomous Region(NJZY21175)
文摘In order to obtain high efficiency of organic light-emitting diodes and organic solar cells,a series of DPP-based four-coordinate organoboron compounds have been designed for photoelectric functional materials.The effects of electron-donating and-withdrawing substituent on the electronic and optical properties have been investigated by using density functional theory(DFT)and time-dependent DFT(TD-DFT)approaches systematically.It turned out that electron-donating and-withdrawing groups can tune effectively the frontier molecular orbital(FMO)energy level,energy gap,and absorption and fluorescence spectra.The introduction of electron-withdrawing groups for the parent molecule HBDPP(2,5-bis(diphenylboryl)-3,6-bis(pyridin-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione)favors the decrease for the FMO energy(E_(LUMO)and E_(HOMO)),HOMO-LUMO gaps(E_(g)),and the downhill energetic driving force(ΔEL-L),while the electron-donating groups can increase E_(LUMO),E_(HOMO),E_(g),andΔEL-L compared with that of HBDPP,respectively.The absorption and fluorescence spectra of the electron-withdrawing substituted derivatives exhibit bathochromic shifts,while the absorption and fluorescence spectra of the electrondonating substituted derivatives show hypsochromic shifts compared with the parent molecule HBDPP,respectively.Furthermore,the stronger the electron-withdrawing/donating ability of group is,the more significant the effect in the optoelectronic properties.
基金Projects(52274404,52305441,U22A20190)supported by the National Natural Science Foundation of ChinaProjects(2022JJ20065,2023JJ40739)supported by the Natural Science Foundation of Hunan Province,China+2 种基金Project(2022RC1001)supported by the Science and Technology Innovation Program of Hunan Province,ChinaProject(2023ZZTS0972)supported by the Fundamental Research Funds for the Central Universities,ChinaProject(2021YFB3400903)supported by the National Key R&D Program of China。
文摘The creep strain of conventionally treated 2195 alloy is very low,increasing the difficulty of manufacturing Al-Cu-Li alloy sheet parts by creep age forming.Therefore,finding a solution to improve the creep formability of Al-Cu-Li alloy is vital.A thorough comparison of the effects of cryo-deformation and ambient temperature large pre-deformation(LPD)on the creep ageing response in the 2195 alloy sheet at 160℃with different stresses has been made.The evolution of dislocations and precipitates during creep ageing of LPD alloys are revealed by X-ray diffraction and transmission electron microscopy.High-quality 2195 alloy sheet largely pre-deformed by 80%without edge-cracking is obtained by cryo-rolling at liquid nitrogen temperature,while severe edge-cracking occurs during room temperature rolling.The creep formability and strength of the 2195 alloy are both enhanced by introducing pre-existing dislocations with a density over 1.4×10^(15)m^(−2).At 160℃and 150 MPa,creep strain and creep-aged strength generally increases by 4−6 times and 30−50 MPa in the LPD sample,respectively,compared to conventional T3 alloy counterpart.The elongation of creep-aged LPD sample is low but remains relevant for application.The high-density dislocations,though existing in the form of dislocation tangles,promote the formation of refined T1 precipitates with a uniform dispersion.
文摘The influence of Mo and ZrO_(2)nanoparticles addition on the interfacial properties and shear strength of Sn58Bi solder joint was investigated.The interfacial microstructures of Sn58Bi/Cu,Sn58Bi+Mo/Cu and Sn58Bi+ZrO_(2)/Cu solder joints were analysed using a scanning electron microscope(SEM)coupled with energy dispersive X-ray(EDX)and the X-ray diffraction(XRD).Intermetallic compounds(IMCs)of MoSn_(2)are detected in the Sn58Bi+Mo/Cu solder joint,while SnZr,Zr_(5)Sn_(3),ZrCu and ZrSn_(2)are detected in Sn58Bi+ZrO_(2)/Cu solder joint.IMC layers for both composite solders comprise of Cu_(6)Sn_(5) and Cu_(3)Sn.The SEM images of these layers were used to measure the IMC layer’s thickness.The average IMC layer’s thickness is 1.4431μm for Sn58Bi+Mo/Cu and 0.9112μm for Sn58Bi+ZrO_(2)/Cu solder joints.Shear strength of the solder joints was investigated via the single shear lap test method.The average maximum load and shear stress of the Sn58Bi+Mo/Cu and Sn58Bi+ZrO_(2)/Cu solder joints are increased by 33%and 69%,respectively,as compared to those of the Sn58Bi/Cu solder joint.By comparing both composite solder joints,the latter prevails better as adding smaller sized ZrO_(2)nanoparticles improves the interfacial properties granting a stronger solder joint.
