The decomposition of methoxy on Cu（111）, Ag（111）, Au（111）, Ni（111）, Pt（111）, Pd（111）, and Rh（111） has been studied in detail by the density functional theory calculations. The calculated activation barri...The decomposition of methoxy on Cu（111）, Ag（111）, Au（111）, Ni（111）, Pt（111）, Pd（111）, and Rh（111） has been studied in detail by the density functional theory calculations. The calculated activation barriers were successfully correlated with the coupling matrix element V 2 ad and the d-band center （ε d ） for the group IB metals and group VIII metals, respectively. By comparison of the activation energy barriers of the methoxy decomposition on different metals, it was found that Pt is the best catalyst for methoxy decomposition. The possible reason why the metallic Pt is the best catalyst has been analyzed from both the energetic data and the electronic structure information, that is, methoxy decomposition on Pt（111） has the largest exothermic behavior due to the closest p-band center of the CH 3 O among all metals after the adsorption.展开更多
Lamellar structures of banded spherulites of poly(e-caprolactone)/poly(vinylchloride) (PCL/PVC) blends are observed using tapping mode atomic force microscopy (AFM). Thesurface of the PCL/PVC banded spherulites presen...Lamellar structures of banded spherulites of poly(e-caprolactone)/poly(vinylchloride) (PCL/PVC) blends are observed using tapping mode atomic force microscopy (AFM). Thesurface of the PCL/PVC banded spherulites presents to be concentric periodic ups and downs. Theperiod of the bands corresponds to the extinction rings under the polarized optical microscopyobservation. The lamellae with edge-on orientation in the ridges and the flat-on lamellae in thevalleys of the banded spherulites are observed clearly. The twisting between the edge-on and flat-onlamellae is also observed.展开更多
文摘The decomposition of methoxy on Cu（111）, Ag（111）, Au（111）, Ni（111）, Pt（111）, Pd（111）, and Rh（111） has been studied in detail by the density functional theory calculations. The calculated activation barriers were successfully correlated with the coupling matrix element V 2 ad and the d-band center （ε d ） for the group IB metals and group VIII metals, respectively. By comparison of the activation energy barriers of the methoxy decomposition on different metals, it was found that Pt is the best catalyst for methoxy decomposition. The possible reason why the metallic Pt is the best catalyst has been analyzed from both the energetic data and the electronic structure information, that is, methoxy decomposition on Pt（111） has the largest exothermic behavior due to the closest p-band center of the CH 3 O among all metals after the adsorption.
基金supported by the National Natural Science Foundation of China(Grant Nos.20174049 and 20131160730)
文摘Lamellar structures of banded spherulites of poly(e-caprolactone)/poly(vinylchloride) (PCL/PVC) blends are observed using tapping mode atomic force microscopy (AFM). Thesurface of the PCL/PVC banded spherulites presents to be concentric periodic ups and downs. Theperiod of the bands corresponds to the extinction rings under the polarized optical microscopyobservation. The lamellae with edge-on orientation in the ridges and the flat-on lamellae in thevalleys of the banded spherulites are observed clearly. The twisting between the edge-on and flat-onlamellae is also observed.
