Theoretical study of CO, hydrogenation on Al-doped silicene nanoplate by DFT method

CO is one of the greenhouse gases that is the main cause of global warming. Natural resources and human resources cause the emission of CO. Natural resources include decomposition, ocean release, respiration, and photosynthesis. Respiration, the process by which organisms release energy from food, also releases CO. Photosynthesis, the biochemical process by which plants and some microbes produce food, acts as the natural counterpart of respiration by absorbing carbon dioxide from the atmosphere. Carbon dioxide emissions from human activities are also a major factor, as they change the average global temperature. Since the industrial revolution, the level of carbon dioxide in the atmosphere has increased dramatically, mostly due to deforestation and the burning of fossil fuels. It should be noted that the production of mineral resources using chemical reactions between raw materials and oxygen in itself implies a significant release of carbon dioxide. Carbon sequestration and climate are in turn affected by water pollution. In addition, soil is the second largest carbon sink after the ocean to mitigate the effects of climate change. Soil pollution affects its ability to absorb carbon and causes climate change despite changes in temperature, precipitation patterns, etc. Therefore, environmental pollution and carbon dioxide emissions are affected by complex. In this article, we will compare CO reduction on silicon and silicen doped with Al.

کلیدواژه ها:

Hydrogenation ، Carbon dioxide ، Silicene ، DFT