Article Per Year (5 Year)
p-Index From 2019 - 2024
0.444
P-Index
This Author published in this journals
All Journal Journal of Mathematical and Fundamental Sciences Journal of Engineering and Technological Sciences
Hermawan Kresno Dipojono
Jurusan Teknik Fisika, Institut Teknologi Bandung
Astronomy Chemistry Earth & Planetary Sciences Engineering Mathematics Physics

Published : 3 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search
Journal : Journal of Engineering and Technological Sciences

 1 
Theoretical Study of Direct Carbon Dioxide Conversion to Formic Acid on Transition Metal-doped Subnanometer Palladium Clusters Adhitya Gandaryus Saputro; Arifin Luthfi Maulana; Fine Dwinita Aprilyanti; Hermawan Kresno Dipojono
Journal of Engineering and Technological Sciences Vol. 53 No. 4 (2021)
Publisher : Institute for Research and Community Services, Institut Teknologi Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/j.eng.technol.sci.2021.53.4.2

Abstract

We studied the direct conversion of CO2 to HCOOH through hydrogenation reaction without the presence of base additives on the transition metal-doped subnanometer palladium (Pd7) cluster (PdxM: M = Cu, Ni, Rh) by using a combination of density functional theory and microkinetic calculations. It was shown that the CO2 hydrogenation on Pd7 and Pd6M clusters are more selective towards the formate pathway to produce HCOOH than the reverse water gas shift pathway to produce CO. Inclusion of Ni and Rh doping in the subnanometer Pd7 cluster could successfully enhance the turnover frequency (TOF) for CO2 hydrogenation to formic acid at low temperature. The order of TOF for formic acid formation is as follows: Pd6Ni > Pd6Rh > Pd7 > Pd6Cu. This order can be explained by the trend of the activation energy of CO2 hydrogenation to formate (HCOO*). The Pd6Ni cluster has the highest TOF value because it has the lowest activation energy for the formate formation reaction. The Pd6Ni system also has a superior TOF profile for HCOOH formation compared to several metal surfaces in low and high-temperature regions. This finding suggests that the subnanometer PdxNi cluster is a promising catalyst candidate for direct CO2 hydrogenation to formic acid.
Co-Authors Adhitya Gandaryus Saputro Ahmad Nuruddin Amrina Mustaqim Arifin Luthfi Maulana Arifin Luthfi Maulana Fadjar Fathurrahman Fine Dwinita Aprilyanti Mohammad Kemal Agusta Syauqi Abdurrahman Abrori Virgiawan Listanto Rahagung