Theoretical study on nitrobenzene hydrogenation to aniline catalyzed by M

• Tác giả: Ming Lei, Min Pu, Haohao Wang
• Ngôn ngữ: eng
• Ký hiệu phân loại: 629.435 Astronautical exploratory and data-gathering flights
• Thông tin xuất bản: England : Physical chemistry chemical physics : PCCP , 2025
• Bộ sưu tập: NCBI
• ID: 170060

Tóm tắt

The hydrogenation of nitrobenzene to aniline is a critical process in the production of numerous chemical intermediates and pharmaceuticals. Developing efficient catalysts for this reaction is essential to improve reaction rates and selectivity. A density functional theory (DFT) study was performed to investigate the catalytic activity of twelve late transition metal-doped ceria (M