A DFT study of the chain growth probability in Fischer–Tropsch synthesis

Abstract. The chain growth probability (α value) is one of the most significant parameters in Fischer–Tropsch (FT) synthesis. To gain insight into the chain growth probability, we systematically studied the hydrogenation and C–C coupling reactions with different chain lengths on the stepped Co(0001) surface using density functional theory calculations. Our findings elucidate the relati…