This paper reports a study on the reconstruction of broken Si O Si bonds in iron ore tailings (IOTs) in concrete. Limestone and IOTs were used to investigate the influence of different types of coarse aggregates on th...This paper reports a study on the reconstruction of broken Si O Si bonds in iron ore tailings (IOTs) in concrete. Limestone and IOTs were used to investigate the influence of different types of coarse aggregates on the compressive strengths of concrete samples. The dif- ferences in interfacial transition zones (ITZs) between aggregate and paste were analyzed by scanning electron microscopy (SEM) and ener- gy-dispersive spectroscopy (EDS). Meanwhile, X-ray diffraction (XRD) and infrared spectroscopy (IR) were used to study microscopic changes in limestone and IOTs powders in a simple alkaline environment that simulated cement. The results show that the compressive strengths of IOTs concrete or paste are higher than those of limestone concrete or paste under identical conditions. The Ca/Si atom ratios in the ITZs of IOTs con- crete samples are lower than those of limestone concrete;the diffraction peak of the calcium silicate phase at 2θ = 29.5°, as well as the bands of Si O bonds shifting to lower wavenumbers, indicates reconstruction of the broken Si-O-Si bonds on the surfaces of IOTs with Ca(OH)2.展开更多
The effect of metallic cations on the Si-O(br) bond and the Si-O(ter) bond was studied with CNDO/2 MO calculations. The characteristics of them were discussed, which were found to vary with the bonding and coordi nati...The effect of metallic cations on the Si-O(br) bond and the Si-O(ter) bond was studied with CNDO/2 MO calculations. The characteristics of them were discussed, which were found to vary with the bonding and coordi nation situation of oxygen as well as the effect of metallic cations on oxygen. The conclusions obtained may be well used in the fields of mineralogy, geochemistry, silicate materials, pyrometallurgy and so on.展开更多
6H-SiC is an important semiconductor material. The 6H-SiC wafer is always exposed to a high-humidity environment and the effect from the absorbed water molecule and some relative adsorbates is not negligible. Here, th...6H-SiC is an important semiconductor material. The 6H-SiC wafer is always exposed to a high-humidity environment and the effect from the absorbed water molecule and some relative adsorbates is not negligible. Here, the oxygen and water molecules absorbed on the 6H-SiC(0001) surface and the dissociation process were studied with density functional theory. On the 6H-SiC(0001) surface, absorbed O2 is spontaneously dissociated into O*, which is absorbed on a hollow site, and further transforms the 6H-SiC(0001) surface into SiO2. The absorbed H2O is spontaneously broken into OH*and H*, which are both absorbed on the top of the Si atom, and OH* is further reversibly transformed into O* and H*. The H* could saturate the dangling Si bond and change the absorption type of O*, which could stabilize the 6H-SiC(0001) surface and prevent it from transforming into SiO2.展开更多
A novel colorimetric chemosensor PBIOSi has been designed and synthesized. The addition of F to a THF solution of PBIOSi resulted in an obvious color change （from red to green） in a short time because of the specifi...A novel colorimetric chemosensor PBIOSi has been designed and synthesized. The addition of F to a THF solution of PBIOSi resulted in an obvious color change （from red to green） in a short time because of the specific cleavage of Si-O bond in PBIOSi by F-. It was interesting that PBIOSi showed excellent selectivity for F detection over other halides. The UV-Vis absorption and fluorescence were changed linearly with the concentration ofF over the range of 0- 10 μmol/L.展开更多
基金financially supported by the National Natural Science Foundation of China (Nos. 51678049 and 51834001)
文摘This paper reports a study on the reconstruction of broken Si O Si bonds in iron ore tailings (IOTs) in concrete. Limestone and IOTs were used to investigate the influence of different types of coarse aggregates on the compressive strengths of concrete samples. The dif- ferences in interfacial transition zones (ITZs) between aggregate and paste were analyzed by scanning electron microscopy (SEM) and ener- gy-dispersive spectroscopy (EDS). Meanwhile, X-ray diffraction (XRD) and infrared spectroscopy (IR) were used to study microscopic changes in limestone and IOTs powders in a simple alkaline environment that simulated cement. The results show that the compressive strengths of IOTs concrete or paste are higher than those of limestone concrete or paste under identical conditions. The Ca/Si atom ratios in the ITZs of IOTs con- crete samples are lower than those of limestone concrete;the diffraction peak of the calcium silicate phase at 2θ = 29.5°, as well as the bands of Si O bonds shifting to lower wavenumbers, indicates reconstruction of the broken Si-O-Si bonds on the surfaces of IOTs with Ca(OH)2.
文摘The effect of metallic cations on the Si-O(br) bond and the Si-O(ter) bond was studied with CNDO/2 MO calculations. The characteristics of them were discussed, which were found to vary with the bonding and coordi nation situation of oxygen as well as the effect of metallic cations on oxygen. The conclusions obtained may be well used in the fields of mineralogy, geochemistry, silicate materials, pyrometallurgy and so on.
基金supported by the Fundamental Research Project of Qinghai Province (2017-ZJ-795)
文摘6H-SiC is an important semiconductor material. The 6H-SiC wafer is always exposed to a high-humidity environment and the effect from the absorbed water molecule and some relative adsorbates is not negligible. Here, the oxygen and water molecules absorbed on the 6H-SiC(0001) surface and the dissociation process were studied with density functional theory. On the 6H-SiC(0001) surface, absorbed O2 is spontaneously dissociated into O*, which is absorbed on a hollow site, and further transforms the 6H-SiC(0001) surface into SiO2. The absorbed H2O is spontaneously broken into OH*and H*, which are both absorbed on the top of the Si atom, and OH* is further reversibly transformed into O* and H*. The H* could saturate the dangling Si bond and change the absorption type of O*, which could stabilize the 6H-SiC(0001) surface and prevent it from transforming into SiO2.
基金supported by the National Natural Science Foundation of China （Nos. 21272069, 20672035）, the Fundamental Research Funds for the Central Universities and Baihehua Group.
文摘A novel colorimetric chemosensor PBIOSi has been designed and synthesized. The addition of F to a THF solution of PBIOSi resulted in an obvious color change （from red to green） in a short time because of the specific cleavage of Si-O bond in PBIOSi by F-. It was interesting that PBIOSi showed excellent selectivity for F detection over other halides. The UV-Vis absorption and fluorescence were changed linearly with the concentration ofF over the range of 0- 10 μmol/L.
