Since the D-band center theory was proposed,it has been widely used in the fields of surface chemistry by almost all researchers,due to its easy understanding,convenient operation and relative accuracy.However,with th...Since the D-band center theory was proposed,it has been widely used in the fields of surface chemistry by almost all researchers,due to its easy understanding,convenient operation and relative accuracy.However,with the continuous development of material systems and modification strategies,researchers have gradually found that D-band center theory is usually effective for large metal particle systems,but for small metal particle systems or semiconductors,such as single atom systems,the opposite conclusion to the D-band center theory is often obtained.To solve the issue above,here we propose a bonding and anti-bonding orbitals stable electron intensity difference(BASED)theory for surface chemistry.The newly-proposed BASED theory can not only successfully explain the abnormal phenomena of D-band center theory,but also exhibits a higher accuracy for prediction of adsorption energy and bond length of intermediates on active sites.Importantly,a new phenomenon of the spin transition state in the adsorption process is observed based on the BASED theory,where the active center atom usually yields an unstable high spin transition state to enhance its adsorption capability in the adsorption process of intermediates when their distance is about 2.5Å.In short,the BASED theory can be considered as a general principle to understand catalytic mechanism of intermediates on surfaces.展开更多
TA2/TA15 graded structural material（GSM） was fabricated by the laser additive manufacturing（LAM） process. The chemical composition, microstructure and micro-hardness of the as-deposited GSM were investigated. The ...TA2/TA15 graded structural material（GSM） was fabricated by the laser additive manufacturing（LAM） process. The chemical composition, microstructure and micro-hardness of the as-deposited GSM were investigated. The results show that the TA2 part of exhibiting near-equiaxed grains was Widmanst？tten α-laths microstructure. The TA15 part containing large columnar grains was fine basket-weave microstructure. The graded zone was divided into four deposited layers with 3000 μm in thickness. As the distance from the TA2 part increases, the alloy element contents and the β phase volume fraction increase, the α phase volume fraction decreases and the microstructure shows the evolution from Widmanst？tten α-laths to basket-weave α-laths gradually. The micro-hardness increases from the TA2 part to the TA15 part due to the solid solution strengthening and grain boundary strengthening.展开更多
Semiaquilegia adoxoides ( DC. ) Makino ( Chinese name ''Tian-Kui-Zi'' ) , theonly species of genus Semiaquilegia, belongs to the Ranunculaceae family. As a perennial herbaceousplant, both the aerial pa...Semiaquilegia adoxoides ( DC. ) Makino ( Chinese name ''Tian-Kui-Zi'' ) , theonly species of genus Semiaquilegia, belongs to the Ranunculaceae family. As a perennial herbaceousplant, both the aerial parts and the roots are used in traditional Chinese medicine for differentmedications. The roots are often used to treat inflammation, snake bite, bruises and injuries,tonsillitis, mastitis, scrofula, and cancer for their antibacterial, anti-inflammatory, andantineoplastic activities. The aerial parts are used for the treatment of mastitis, bruises, andheart diseases, such as endomyocarditis. The medicinal usage of this plant prompted us toinvestigate its chemical constituents. As a result, nine compounds 1-9 ( see Figure 1) were isolatedfrom the roots of S. adoxoides. Among them, compounds 1-7 and 9 were isolated from the genusSemiaquilegia for the first time.展开更多
文摘Since the D-band center theory was proposed,it has been widely used in the fields of surface chemistry by almost all researchers,due to its easy understanding,convenient operation and relative accuracy.However,with the continuous development of material systems and modification strategies,researchers have gradually found that D-band center theory is usually effective for large metal particle systems,but for small metal particle systems or semiconductors,such as single atom systems,the opposite conclusion to the D-band center theory is often obtained.To solve the issue above,here we propose a bonding and anti-bonding orbitals stable electron intensity difference(BASED)theory for surface chemistry.The newly-proposed BASED theory can not only successfully explain the abnormal phenomena of D-band center theory,but also exhibits a higher accuracy for prediction of adsorption energy and bond length of intermediates on active sites.Importantly,a new phenomenon of the spin transition state in the adsorption process is observed based on the BASED theory,where the active center atom usually yields an unstable high spin transition state to enhance its adsorption capability in the adsorption process of intermediates when their distance is about 2.5Å.In short,the BASED theory can be considered as a general principle to understand catalytic mechanism of intermediates on surfaces.
基金Project(2010CB731705)supported by the National Basic Research Program of China
文摘TA2/TA15 graded structural material（GSM） was fabricated by the laser additive manufacturing（LAM） process. The chemical composition, microstructure and micro-hardness of the as-deposited GSM were investigated. The results show that the TA2 part of exhibiting near-equiaxed grains was Widmanst？tten α-laths microstructure. The TA15 part containing large columnar grains was fine basket-weave microstructure. The graded zone was divided into four deposited layers with 3000 μm in thickness. As the distance from the TA2 part increases, the alloy element contents and the β phase volume fraction increase, the α phase volume fraction decreases and the microstructure shows the evolution from Widmanst？tten α-laths to basket-weave α-laths gradually. The micro-hardness increases from the TA2 part to the TA15 part due to the solid solution strengthening and grain boundary strengthening.
基金Ministry of Science and Technology of People'sRepublic of China (No. 2004AA2Z3730)
文摘Semiaquilegia adoxoides ( DC. ) Makino ( Chinese name ''Tian-Kui-Zi'' ) , theonly species of genus Semiaquilegia, belongs to the Ranunculaceae family. As a perennial herbaceousplant, both the aerial parts and the roots are used in traditional Chinese medicine for differentmedications. The roots are often used to treat inflammation, snake bite, bruises and injuries,tonsillitis, mastitis, scrofula, and cancer for their antibacterial, anti-inflammatory, andantineoplastic activities. The aerial parts are used for the treatment of mastitis, bruises, andheart diseases, such as endomyocarditis. The medicinal usage of this plant prompted us toinvestigate its chemical constituents. As a result, nine compounds 1-9 ( see Figure 1) were isolatedfrom the roots of S. adoxoides. Among them, compounds 1-7 and 9 were isolated from the genusSemiaquilegia for the first time.
