当前位置: X-MOL 学术Chem. Phys. Lett. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
A theoretical insight into CO2 sensing performance on the orthorhombic LaMnO3 (010) surface
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2017-09-07 , DOI: 10.1016/j.cplett.2017.09.007
Xiao-Feng Wang , Wei Ma , Xue-Zhi Song , Ji-Fan Hu

DFT is employed to investigate the adsorption of CO2 on the orthorhombic LaMnO3 (010) surface. The results show that carbonate-like structure is the most stabilized mode. The electronic property of LaMnO3 (010) can be modulated by the transferred electrons from CO2 molecule. The results indicate the LaMnO3 is a promising sensing material to detect CO2 gas.

中文翻译:

关于正交晶LaMnO 3(010)表面上的CO 2感测性能的理论见解

DFT用于研究斜方晶LaMnO 3(010)表面上CO 2的吸附。结果表明,碳酸盐样结构是最稳定的模式。LaMnO 3(010)的电子性质可以通过从CO 2分子转移来的电子来调节。结果表明,LaMnO 3是检测CO 2气体的有前途的传感材料。
更新日期:2017-09-07
down
wechat
bug