Evidence of Guest–Guest Interaction in Clathrates Based on In Situ Raman Spectroscopy and Density Functional Theory

2022 ◽  
pp. 400-405
Author(s):  
Man Li ◽  
Keyao Li ◽  
Lei Yang ◽  
Yan Su ◽  
Jiafei Zhao ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Raman Spectroscopy ◽  
Density Functional ◽  
In Situ Raman Spectroscopy ◽  
Functional Theory ◽  
In Situ Raman

Structural investigations on two typical lithium germanate melts by in situ Raman spectroscopy and density functional theory calculations

CrystEngComm ◽  
2020 ◽  
Vol 22 (4) ◽  
pp. 701-707
Author(s):  
Songming Wan ◽  
Shujie Zhang ◽  
Xiaoye Gong ◽  
Yu Zeng ◽  
Shengjie Jiang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Raman Spectroscopy ◽  
Density Functional ◽  
Structural Changes ◽  
Density Functional Theory Calculations ◽  
In Situ Raman Spectroscopy ◽  
Functional Theory ◽  
Structural Investigations ◽  
Melting Temperatures

In situ Raman spectroscopy, together with density functional theory calculations, was used to monitor the structural changes of polycrystalline Li4GeO4 and Li6Ge2O7 from room temperature to their melting temperatures.

scholarly journals Identification of Active Surface Species in Molten Carbonates Using in situ Raman Spectroscopy

2021 ◽  
Vol 9 ◽  
Author(s):  
Peng Zhang ◽  
Tao Wu ◽  
Kevin Huang
Keyword(s):  
Raman Spectroscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Active Surface ◽  
Active Species ◽  
Surface Species ◽  
In Situ Raman Spectroscopy ◽  
Functional Theory ◽  
Temperature Time

Here we report the results of a study on active surface species of a pristine and modified (Li-Na)2CO3 eutectic using in situ Raman spectroscopy technique. The effects of gas compositions, temperature, time, and alkaline earth have been systematically studied. The species of CO42–, HCO4–, and C2O52– are identified as the three major active species on the surface of (Li-Na)2CO3 eutectic by a combined Raman spectroscopy and theoretical density functional theory calculations. The results further reveal that CO42–, HCO4–, and C2O52– are preferably formed in the presence of O2, H2O, and high CO2 concentration. With the addition of Ba to the pristine (Li-Na)2CO3 eutectic, the Raman CO42–/HCO4– shifts become more pronounced.

In Situ Raman Spectroscopy Studies on La2CaB10O19 Crystal Growth

2020 ◽  
Vol 20 (10) ◽  
pp. 6604-6609
Author(s):  
Shanshan Liu ◽  
Guochun Zhang ◽  
Kai Feng ◽  
Yanyang Han ◽  
Tao He ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Crystal Growth ◽  
In Situ Raman Spectroscopy ◽  
In Situ Raman ◽  
Spectroscopy Studies

The use of in-situ Raman spectroscopy in investigating carbon materials as the anodes of alkali metal-ion batteries

Carbon ◽  
2021 ◽  
Vol 177 ◽  
pp. 428
Author(s):  
Xiaoqin Cheng ◽  
Huijun Li ◽  
Zhenxin Zhao ◽  
Yong-zhen Wang ◽  
Xiaomin Wang
Keyword(s):  
Raman Spectroscopy ◽  
Alkali Metal ◽  
Metal Ion ◽  
Carbon Materials ◽  
In Situ Raman Spectroscopy ◽  
Alkali Metal Ion ◽  
In Situ Raman
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