MOF Encapsulated Sub-nm Pd skin/Au Nanoparticles as Antenna-Reactor Plasmonic Catalyst for Light Driven CO2 Hydrogenation

Nano Energy ◽  
2021 ◽  
pp. 105950
Author(s):  
Xibo Zhang ◽  
Yunyan Fan ◽  
Enming You ◽  
Zexuan Li ◽  
Yongdi Dong ◽  
...  
Keyword(s):  
Au Nanoparticles ◽  
Co2 Hydrogenation

Coalescence and shape oscillations of Au nanoparticles in CO2 hydrogenation for methanol reaction

Nanoscale ◽  
2021 ◽  
Author(s):  
Shengnan Yue ◽  
Yongli Shen ◽  
Ziliang Deng ◽  
Wenjuan Yuan ◽  
Wei Xi
Keyword(s):  
Au Nanoparticles ◽  
High Selectivity ◽  
Co2 Hydrogenation ◽  
Au Nanoparticle ◽  
Limited Knowledge ◽  
Shape Oscillations

Recently, there has been renewed interest in Au nanoparticle (Au NP) catalysts owing to their high selectivity for CO2 hydrogenation to methanol. However, there is still limited knowledge on the...

scholarly journals Highly Selective Au/ZnO via Colloidal Deposition for CO2 Hydrogenation to Methanol: Evidence of AuZn Role

2021 ◽  
Vol 16 (1) ◽  
pp. 44-51
Author(s):  
Hasliza Bahruji ◽  
Mshaal Almalki ◽  
Norli Abdullah
Keyword(s):  
Active Sites ◽  
Au Nanoparticles ◽  
High Selectivity ◽  
Average Diameter ◽  
Co2 Hydrogenation ◽  
Impregnation Method ◽  
Co2 Conversion ◽  
Methanol Production ◽  
Surface Oxygen Vacancy ◽  
Colloidal Method

Gold, Au nanoparticles were deposited on ZnO, Al2O3, and Ga2O3 via colloidal method in order to investigate the role of support for CO2 hydrogenation to methanol. Au/ZnO was also produced using impregnation method to investigate the effect of colloidal method to improve methanol selectivity. Au/ZnO produced via sol immobilization showed high selectivity towards methanol meanwhile impregnation method produced Au/ZnO catalyst with high selectivity towards CO. The CO2 conversion was also influenced by the amount of Au weight loading. Au nanoparticles with average diameter of 3.5 nm exhibited 4% of CO2 conversion with 72% of methanol selectivity at 250 °C and 20 bar. The formation of AuZn alloy was identified as active sites for selective CO2 hydrogenation to methanol. Segregation of Zn from ZnO to form AuZn alloy increased the number of surface oxygen vacancy for CO2 adsorption to form formate intermediates. The formate was stabilized on AuZn alloy for further hydrogenation to form methanol.  The use of Al2O3 and Ga2O3 inhibited the formation of Au alloy, and therefore reduced methanol production. Au/Al2O3 showed 77% selectivity to methane, meanwhile Au/Ga2O3 produced 100% selectivity towards CO. Copyright © 2021 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0). 

Machine Learning Accelerated Genetic Algorithms for Computational Materials Search

2018 ◽  
Author(s):  
Steen Lysgaard ◽  
Paul C. Jennings ◽  
Jens Strabo Hummelshøj ◽  
Thomas Bligaard ◽  
Tejs Vegge
Keyword(s):  
Machine Learning ◽  
Genetic Algorithm ◽  
Genetic Algorithms ◽  
Au Nanoparticles ◽  
Learning Model ◽  
Energy Calculations ◽  
Atomic Distribution ◽  
Machine Learning Model ◽  
Fold Reduction ◽  
Computational Materials

A machine learning model is used as a surrogate fitness evaluator in a genetic algorithm (GA) optimization of the atomic distribution of Pt-Au nanoparticles. The machine learning accelerated genetic algorithm (MLaGA) yields a 50-fold reduction of required energy calculations compared to a traditional GA.

CO2 hydrogenation to methanol catalyzed by Ni5Ga3 metal alloy

2019 ◽  
Author(s):  
Yuhan Men ◽  
Xin Fang ◽  
Fan Wu ◽  
Ranjeet Singh ◽  
Penny Xiao ◽  
...  
Keyword(s):  
Co2 Hydrogenation ◽  
Metal Alloy

scholarly journals Production of Fuels and Chemicals from a CO2/H2 Mixture

Reactions ◽  
2020 ◽  
Vol 1 (2) ◽  
pp. 130-146
Author(s):  
Yali Yao ◽  
Baraka Celestin Sempuga ◽  
Xinying Liu ◽  
Diane Hildebrandt
Keyword(s):  
Co2 Hydrogenation ◽  
Water Gas Shift ◽  
Liquid Fuels ◽  
Saturated Hydrocarbons ◽  
Reverse Water Gas Shift ◽  
Cu Catalyst ◽  
In Series ◽  
Fuels And Chemicals ◽  
Water Gas ◽  
Aspen Simulation

In order to explore co-production alternatives, a once-through process for CO2 hydrogenation to chemicals and liquid fuels was investigated experimentally. In this approach, two different catalysts were considered; the first was a Cu-based catalyst that hydrogenates CO2 to methanol and CO and the second a Fisher–Tropsch (FT) Co-based catalyst. The two catalysts were loaded into different reactors and were initially operated separately. The experimental results show that: (1) the Cu catalyst was very active in both the methanol synthesis and reverse-water gas shift (R-WGS) reactions and these two reactions were restricted by thermodynamic equilibrium; this was also supported by an Aspen plus simulation of an (equilibrium) Gibbs reactor. The Aspen simulation results also indicated that the reactor can be operated adiabatically under certain conditions, given that the methanol reaction is exothermic and R-WGS is endothermic. (2) the FT catalyst produced mainly CH4 and short chain saturated hydrocarbons when the feed was CO2/H2. When the two reactors were coupled in series and the presence of CO in the tail gas from the first reactor (loaded with Cu catalyst) significantly improves the FT product selectivity toward higher carbon hydrocarbons in the second reactor compared to the standalone FT reactor with only CO2/H2 in the feed.

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