Catalytic reduction of N2O by CO molecules using transition metal-phosphomolybdic acid(TM1/PMA)single-atom catalysts:A theoretical perspectiveOA
Catalytic reduction of N2O by CO molecules using transition metal-phosphomolybdic acid(TM1/PMA)single-atom catalysts:A theoretical perspective
Shamraiz Hussain Talib;Babar Ali;Arif Hassan Dar;Ahsanulhaq Qurashi;Jun Li;Sharmarke Mohamed
Center for Catalysis and Separations,Khalifa University of Science and Technology,Abu Dhabi,P.O.Box 127788,United Arab Emirates||Department of Chemistry,Khalifa University of Science and Technology,Abu Dhabi 127788,United Arab EmiratesInterdisciplinary Research Center for Refining and Advanced Chemicals,King Fahd University of Petroleum&Minerals,Dhahran 31261,Saudi ArabiaDepartment of Chemistry,Khalifa University of Science and Technology,Abu Dhabi 127788,United Arab EmiratesCenter for Catalysis and Separations,Khalifa University of Science and Technology,Abu Dhabi,P.O.Box 127788,United Arab Emirates||Department of Chemistry,Khalifa University of Science and Technology,Abu Dhabi 127788,United Arab EmiratesDepartment of Chemistry,Key Laboratory of Organic Optoelectronics&Molecular Engineering of Ministry of Education,Tsinghua University,Beijing 100084,China||Department of Chemistry,Guangdong Provincial Key Laboratory of Catalysis,Southern University of Science and Technology,Shenzhen 518055,ChinaCenter for Catalysis and Separations,Khalifa University of Science and Technology,Abu Dhabi,P.O.Box 127788,United Arab Emirates||Department of Chemistry,Khalifa University of Science and Technology,Abu Dhabi 127788,United Arab Emirates
N2O reductionfirst-principlessingle-atom catalystsphosphomolybdic acidreaction mechanismtransition metals
N2O reductionfirst-principlessingle-atom catalystsphosphomolybdic acidreaction mechanismtransition metals
《纳米能源研究（英文）》 2025 (2)
46-56,11
We acknowledge financial support for this work from the Center for Catalysis and Separations(CeCaS).The theoretical calculations were performed using the high-performance computing clusters of Khalifa University.The authors would like to acknowledge the support of the research computing department of Khalifa University.
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