Atomnaya i elektronnaya struktury sp-ugleroda's uchyetom vliyaniya primesey

The textbook "Atomic and Electronic Structures of sp-Hybridized Carbon Considering the Influence of Impurities" offers a comprehensive analysis of the electronic and atomic structures of sp-hybridized carbon, taking into account the impact of impurities. It is based on a theoretical study that employs density functional theory to explore various forms of linear chain carbon, including individual chains, films, and crystals of carbyne. The results indicate that hydrogen atoms are crucial for the stability of the observed bends in carbon chains. Furthermore, the possibility that impurities such as fluorine and oxygen can influence the electronic properties of the chains is examined, which could lead to new physical properties of carbon films. These findings are significant for the development of new materials with specific electrical properties.