Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Mei-Juan Cao"'
Autor:
Shou-Zheng Jiao, Zhi-Cheng Sun, Fu-Rong Li, Mei-Jia Yan, Mei-Juan Cao, Dong-Sheng Li, Yan Liu, Lu-Hai Li
Publikováno v:
Polymers, Vol 11, Iss 1, p 22 (2018)
The thermally expandable microspheres (TEMs) were prepared through suspension polymerization with acrylonitrile (AN), methyl methacrylate (MMA) and methyl acrylate (MA) as the main monomers. Simultaneously, iso-pentane, n-hexane, iso-octane and other
Externí odkaz:
https://doaj.org/article/8ecdc0a649994341b53a1720868ece80
Publikováno v:
Applied Mechanics and Materials. 748:183-186
A novel one-pot method for the synthesis of substituted μ-oxo-bis [tetraphenyl porphyrinatoiron] compounds ([TRPPFe]2O) from pyrrole and aromatic aldehydes was proposed and investigated in this paper. Four kinds of [TRPPFe]2O were designed and synth
Publikováno v:
Applied Mechanics and Materials. 748:197-200
A series of porphyrin sensitizers with different central metal ions (PMn, PFe, PCo, PNi, PCu, and PZn) have been studied based on density functional theory (DFT). The geometric structure of the dyes was optimized and the frontier molecular orbital we
Publikováno v:
Chemical Physics. 331:275-282
The plane-wave function method, based on density functional theory, has been used to calculate the adsorption, electronic band structures and optical absorption spectra of molecular and dissociative catechol adsorbed on TiO2 anatase (1 0 1) surface.
Autor:
Jun-Qian Li, Wen-Kai Chen, Athanassios I. Philippopoulos, Shu-Hong Liu, Ying Xu, Mei-Juan Cao, Polycarpos Falaras
Publikováno v:
Chemical Physics. 330:204-211
Ruthenium polypyridine and polypyridined-derivative complexes are used in dye-sensitized solar cell as a light to current conversion sensitizers, study on the electronic absorption spectroscopy of which are very important for the understanding of the
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 770:87-91
The adsorption and dissociation of methanol on Au(111) surface were studied using the first-principles calculations based on density functional theory (DFT) with the generalized gradient approximation (GGA). Adsorption energies, geometric structures,
Publikováno v:
Chinese Journal of Chemistry. 24:872-876
Adsorption of methanol and methoxy at four selected sites (top, bridge, hcp, fcc) on Cu(111) surface has been investigated by density functional theory method at the generalized gradient approximation (GGA) level. The calculation on adsorption energi
Publikováno v:
Chemical Physics Letters. 417:414-418
Benzene adsorption on the Au(1 0 0)-3 × 3 surface has been studied with a periodical slab model by using the VWN functional. The results of geometry optimization indicate that the hollow site is energetically active for benzene adsorbed on the Au(1
Publikováno v:
Chemical Physics Letters. 407:414-418
The local density functional approximation (LDA) has been employed to study the adsorption orientation of benzene molecule on Cu(1 0 0) surface. The results suggest the coverage-dependent change in adsorption geometry from flat to tilted benzene. At