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 …
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 …
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 …
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
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 …