Hấp thụ và Phân hủy quang học Acetaldehyde và Ethylene trên Bề mặt TiO2 (001): Nghiên cứu Thực nghiệm và Nguyên tắc Đầu tiên

Catalysis Letters - Tập 149 - Trang 2728-2738 - 2019
Gansheng Shi1, Asad Mahmood1, Guanhong Lu1, Xiao Wang1, Shengrui Tong2, Maofa Ge2, Xiaofeng Xie1, Jing Sun1
1The State Key Lab of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, China
2Institute of Chemistry, Chinese Academy of Sciences, Beijing, China

Tóm tắt

Trong nghiên cứu này, quá trình hấp thụ và phân hủy quang học acetaldehyde và ethylene trên các hạt nano TiO2 (NPs) với các mặt {001} chiếm ưu thế đã được khảo sát. Ngoài ra, các phép tính nguyên tắc đầu tiên đã được sử dụng để bổ sung cho các kết quả thực nghiệm. Các hạt TiO2 NPs được tổng hợp bằng phương pháp thủy nhiệt. Các kết quả thực nghiệm chỉ ra rằng lượng acetaldehyde hấp thụ trên các mặt {001} của TiO2 cao hơn so với ethylene, với nồng độ đầu vào là 500 ± 10 ppm. Hiệu suất phân hủy quang học đạt 88% đối với acetaldehyde so với 17% đối với ethylene tại lưu lượng 10 sccm. Các phép tính nguyên tắc đầu tiên cho thấy năng lượng hấp thụ (Eads) đối với acetaldehyde là 0.603 eV và đối với ethylene là 0.251 eV. Nghiên cứu này rất quan trọng trong việc hiểu rõ quá trình hấp thụ và phân hủy quang học của acetaldehyde và ethylene, hai hợp chất VOC điển hình, và hữu ích trong việc thiết kế các vật liệu xúc tác quang học hiệu suất cao.

Từ khóa

#hấp thụ #phân hủy quang học #acetaldehyde #ethylene #TiO2 #hạt nano

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