Theoretical study of adsorption properties and CO oxidation reaction on surfaces of higher tungsten boride

AD Radina, VS Baidyshev, IV Chepkasov… - Scientific Reports, 2024 - nature.com
Most modern catalysts are based on precious metals and rear-earth elements, making some
of organic synthesis reactions economically insolvent. Density functional theory calculations …

Metal doped nanostructures as catalysts of nitrogen reduction to ammonia

KM Batoo, SMH Kamona, K Al-Majdi, FA Rasen… - Silicon, 2024 - Springer
Here, the catalytic activity of Mn-C48, Mn-Si48, Cu-C38, Cu-B19N19, Ni-C44, Ni-B22P22, Fe-
C80, Fe-Al40P40 nanocages for N2-RR are investigated. The possible mechanisms of N2 …