Oxotitanium-porphyrin for selective catalytic reduction of NO by NH<inf>3</inf>: A theoretical mechanism study

• Main Authors: Rathawat Daengngern, Phornphimon Maitarad, Liyi Shi, Dengsong Zhang, Nawee Kungwan, Vinich Promarak, Jittima Meeprasert, Supawadee Namuangruk
• 格式: 雜誌
• 出版: 2018
• 主題: Chemical Engineering; Chemistry; Materials Science
• 在線閱讀: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85054978281&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/62620

© 2018 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. The reaction mechanism of the selective catalytic reduction of NO by NH3 (NH3-SCR) on an oxotitanium-porphyrin catalyst was systematically investigated by using density functional theory calculations with the...