Heterogeneous catalytic conversion of CO 2: a comprehensive theoretical review
The conversion of CO2 into fuels and useful chemicals has been intensively pursued for
renewable, sustainable and green energy. However, due to the negative adiabatic electron …
renewable, sustainable and green energy. However, due to the negative adiabatic electron …
Advances in sustainable catalysis: A computational perspective
The enormous challenge of moving our societies to a more sustainable future offers several
exciting opportunities for computational chemists. The first principles approach to “catalysis …
exciting opportunities for computational chemists. The first principles approach to “catalysis …
Porous crystalline frameworks for thermocatalytic CO 2 reduction: an emerging paradigm
Heterogeneous catalysts for CO2 reduction derived from porous, crystalline frameworks
have emerged as efficient systems with comparable activity and superior selectivity to their …
have emerged as efficient systems with comparable activity and superior selectivity to their …
Effects of oxide carriers on surface functionality and process performance of the Cu–ZnO system in the synthesis of methanol via CO2 hydrogenation
F Arena, G Mezzatesta, G Zafarana, G Trunfio… - Journal of catalysis, 2013 - Elsevier
Physicochemical properties and CO2-to-methanol hydrogenation functionality (TR, 453–
513K; PR, 0.1–5.0 MPa) of Al2O3-, ZrO2-, and CeO2-supported Cu–ZnO catalysts are …
513K; PR, 0.1–5.0 MPa) of Al2O3-, ZrO2-, and CeO2-supported Cu–ZnO catalysts are …
Deciphering electrochemical interactions in metal–polymer catalysts for CO 2 reduction
Polymers play a critical role in catalyst design to stabilize metal nanoparticles on the
cathode for electrochemical carbon dioxide reduction reaction (CO2RR). However …
cathode for electrochemical carbon dioxide reduction reaction (CO2RR). However …
Mechanistic study of Cu-Ni bimetallic catalysts supported by graphene derivatives for hydrogenation of CO2 to methanol
C Wang, Y Fang, G Liang, X Lv, H Duan, Y Li… - Journal of CO2 …, 2021 - Elsevier
Abstract The Cu-Ni bimetallic catalyst supported by graphene derivatives was employed to
explore the reaction mechanisms of converting CO 2 to methanol. Their properties were …
explore the reaction mechanisms of converting CO 2 to methanol. Their properties were …
A Review on the Conversion of Synthetic Gas to LPG over Hybrid Nanostructure Zeolites Catalysts
AA Al‐Qadri, GA Nasser, A Galadima… - …, 2022 - Wiley Online Library
Recently, Liquified petroleum gas (LPG) attracts wide applications due to its high heating
value and clean combustibility. An innovative approach to synthesis of LPG from syngas was …
value and clean combustibility. An innovative approach to synthesis of LPG from syngas was …
Insight into the mechanism for the methanol synthesis via the hydrogenation of CO2 over a Co-modified Cu (100) surface: A DFT study
M Qiu, H Tao, R Li, Y Li, X Huang, W Chen… - The Journal of …, 2016 - pubs.aip.org
A comprehensive density functional theory calculation was employed to investigate the
reaction mechanism of methanol synthesis on a Co-modified Cu (100) surface via CO 2 …
reaction mechanism of methanol synthesis on a Co-modified Cu (100) surface via CO 2 …
Theoretical study on the reaction mechanism of CO2 hydrogenation to methanol
X Tao, J Wang, Z Li, Q Ye - Computational and Theoretical Chemistry, 2013 - Elsevier
Hydrogenation of CO 2 is challenging from both economic and environmental view points. In
the present study, density functional theory (DFT) method was employed to investigate the …
the present study, density functional theory (DFT) method was employed to investigate the …
Latest advances in the catalytic hydrogenation of carbon dioxide to methanol/dimethylether
F Arena, G Mezzatesta, L Spadaro, G Trunfio - … and utilization of Carbon …, 2014 - Springer
Huge releases and continuous rise of CO 2 levels in the atmosphere represent one of the
most critical environmental issues of the twenty-first century, deserving novel energetic …
most critical environmental issues of the twenty-first century, deserving novel energetic …