We have systematically investigated the adsorption and hydrogenation process of p-chloronitrobenzene on Au20 cluster using density functional theory-DFT） calculations.The adsorption of two types of all species,vertic...We have systematically investigated the adsorption and hydrogenation process of p-chloronitrobenzene on Au20 cluster using density functional theory-DFT） calculations.The adsorption of two types of all species,vertical adsorption and parallel adsorption,is compared,revealing that former model is more stable than the latter,and all of the species prefer to adsorb at the vertex site.After adsorption,electrons transferred from Au20 cluster to the p-chloronitrobenzene molecule.Almost all hydrogenation processes are exothermic,and the C–Cl bond scissions are considered as the rate-limiting step for both Paths A-p-CNB→p-CAN→AN） and B-p-CNB→NB→AN） with the energy barriers of 2.62 and 2.95 e V,respectively.These suggest that the C–Cl bond scission is not easy to occur on Au20 cluster due to the high energy barrier,especially the path B.The p-chloroaniline is the main hydrogenation product catalyzed by Au20.展开更多
Au80Sn20 alloy is a widely used solder for laser diode packaging.In this paper,the thermal resistance of Ga N-based blue laser diodes packaged in TO56 cans were measured by the forward voltage method.The microstructur...Au80Sn20 alloy is a widely used solder for laser diode packaging.In this paper,the thermal resistance of Ga N-based blue laser diodes packaged in TO56 cans were measured by the forward voltage method.The microstructures of Au80Sn20 solder were then investigated to understand the reason for the difference in thermal resistance.It was found that the microstructure with a higher content of Au-rich phase in the center of the solder and a lower content of(Au,Ni)Sn phase at the interface of the solder/heat sink resulted in lower thermal resistance.This is attributed to the lower thermal resistance of Au-rich phase and higher thermal resistance of(Au,Ni)Sn phase.展开更多
Hot compression was performed on a multilayered Au−20Sn eutectic alloy to investigate the deformation behavior and microstructure evolution.During hot compression,microstructural spheroidization was initiated from pla...Hot compression was performed on a multilayered Au−20Sn eutectic alloy to investigate the deformation behavior and microstructure evolution.During hot compression,microstructural spheroidization was initiated from plastic instability regions,and it was preferentially activated in vertical lamellae with a growth direction parallel to the compressive direction.Continuous dynamic recrystallization associated with lattice dislocations was the mechanism in both AuSn and Au5Sn multilayers.After spheroidization,strain accumulations were weakened in both of the equiaxed phases,and the deformation mechanism was substantially replaced by grain boundary sliding and migration.Based on these findings,hot rolling was conducted on an as-cast Au−20Sn alloy and a foil with a thickness of~50μm was successfully prepared.The present study can promote the development of Au−20Sn foils,and provide insights into the deformation behavior and microstructure evolution of multilayered eutectic alloys.展开更多
基金supported by the National Natural Science Foundation of China-No.21503188)the Natural Science Foundation of Zhejiang Province-No.LQ15B030002)
文摘We have systematically investigated the adsorption and hydrogenation process of p-chloronitrobenzene on Au20 cluster using density functional theory-DFT） calculations.The adsorption of two types of all species,vertical adsorption and parallel adsorption,is compared,revealing that former model is more stable than the latter,and all of the species prefer to adsorb at the vertex site.After adsorption,electrons transferred from Au20 cluster to the p-chloronitrobenzene molecule.Almost all hydrogenation processes are exothermic,and the C–Cl bond scissions are considered as the rate-limiting step for both Paths A-p-CNB→p-CAN→AN） and B-p-CNB→NB→AN） with the energy barriers of 2.62 and 2.95 e V,respectively.These suggest that the C–Cl bond scission is not easy to occur on Au20 cluster due to the high energy barrier,especially the path B.The p-chloroaniline is the main hydrogenation product catalyzed by Au20.
基金supported by the National Key Research and Development Program of China(Grant Nos.2016YFB0401803,2017YFE0131500,2017YFB0405000)National Natural Science Foundation of China(Grant Nos.61834008,61574160,61804164,and 61704184)+1 种基金Natural Science Foundation of Jiangsu province(BK20180254)China Postdoctoral Science Foundation(2018M630619)。
文摘Au80Sn20 alloy is a widely used solder for laser diode packaging.In this paper,the thermal resistance of Ga N-based blue laser diodes packaged in TO56 cans were measured by the forward voltage method.The microstructures of Au80Sn20 solder were then investigated to understand the reason for the difference in thermal resistance.It was found that the microstructure with a higher content of Au-rich phase in the center of the solder and a lower content of(Au,Ni)Sn phase at the interface of the solder/heat sink resulted in lower thermal resistance.This is attributed to the lower thermal resistance of Au-rich phase and higher thermal resistance of(Au,Ni)Sn phase.
基金financial supports from the National Natural Science Foundation of China(Nos.U1502272,51901204)the Precious Metal Materials Genome Engineering in Yunnan Province,China(Nos.2019ZE001,202002AB080001)。
文摘Hot compression was performed on a multilayered Au−20Sn eutectic alloy to investigate the deformation behavior and microstructure evolution.During hot compression,microstructural spheroidization was initiated from plastic instability regions,and it was preferentially activated in vertical lamellae with a growth direction parallel to the compressive direction.Continuous dynamic recrystallization associated with lattice dislocations was the mechanism in both AuSn and Au5Sn multilayers.After spheroidization,strain accumulations were weakened in both of the equiaxed phases,and the deformation mechanism was substantially replaced by grain boundary sliding and migration.Based on these findings,hot rolling was conducted on an as-cast Au−20Sn alloy and a foil with a thickness of~50μm was successfully prepared.The present study can promote the development of Au−20Sn foils,and provide insights into the deformation behavior and microstructure evolution of multilayered eutectic alloys.
