Investigating the Effect of Mn Addition on Fischer-Tropsch Synthesis during COHydrogenation on Graphene Oxide using DFT

سال انتشار: 1403
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 34

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شناسه ملی سند علمی:

NICEC22_150

تاریخ نمایه سازی: 7 مرداد 1403

چکیده مقاله:

Our study explored the potential of Mn-doped Graphene Oxide (GO) as a catalyst in reducing airpollution by converting carbon monoxide (CO) into valuable hydrocarbons, CH۴ and CH۳OH. We identified lowand high-energy barrier reactions and concluded that Mn-doped GO holds promising capabilities as a catalyst.We employed DFT calculations to explore both thermodynamic and kinetic properties

نویسندگان

Hanieh Bakhtiari

Department of Chemistry, Amirkabir University of Technology, No. ۳۵۰, Hafez Avenue, Valiasr Square, Tehran, Iran.

Saeedeh Sarabadani Tafreshi

Department of Chemistry, Amirkabir University of Technology, No. ۳۵۰, Hafez Avenue, Valiasr Square, Tehran, Iran.

Majid Abdouss

Department of Chemistry, Amirkabir University of Technology, No. ۳۵۰, Hafez Avenue, Valiasr Square, Tehran, Iran.