First-row transition-metal-doped graphyne for ultrahigh-performance CO2 capture and separation over N2/CH4/H2

Terpyridine‐metal complexes of first row transition metals and electrochemical reduction of CO2 to CO

The origin of half-metallicity in conjugated electron systems--a study on transition-metal-doped graphyne.

We studied the mechanism of half-metallicity (HM) formation in transition-metal-doped conjugated carbon based structures by first-principles electronic structure simulations. It is found that the HM is a rather complex phenomenon, determined by the ligand field splitting of d-orbitals of the transition metal atoms, the exchange splitting and the number of valence electrons. Since most of the co...

Theoretical studies of the first-row transition metal phosphides

Formation of carbyne and graphyne on transition metal surfaces.

The electronic and geometric structures of carbyne on various transition metal surfaces were investigated by theoretical calculations. It was found that carbyne on non-active metal surfaces has a polyynic structure, while a polycumulenic structure is more stable on active catalyst surfaces. The self-assembly of carbyne on a metal substrate could lead to the synthesis of graphyne.

The Economics of Co2 Separation and Capture

Carbon management and sequestration offers an opportunity for reducing greenhouse gas emissions that can complement the current strategies of improving energy efficiency and increasing the use of non-fossil energy resources. When most people think of sequestering carbon, they think of planting trees. However, the focus of this paper is the capture of CO 2 from large stationary sources, primaril...