Understanding the mechanisms of CO 2 hydrogenation on a specific catalyst is of profound significance for developing the high-efficient catalytic materials. Herein, first-principles calculation is performed to research the mechanisms of methanol synthesis from CO 2 hydrogenation on tungsten (W)-doped Rh...
论文的第一作者为中国科学院上海高等研究院周紫璇和王雨晨,通讯作者为李圣刚研究员和高鹏研究员。详见:Zhou Z, Wang Y, Bao Y, Yang H, Li J, Chang C, Li S, Gao P. Nickel-modifiedIn2O3with inherent oxygen vacancies fo...
This confirms the previous theoretical study that In2O3inhibits the reverse water gas shift, a competitive endothermic reaction for methanol synthesis from CO2hydrogenation. The mechanism for CO2hydrogenation to methanol over In2O3catalyst has been discussed. 展开 关键词:...
In the current perspective we use ZrO2-containing catalysts as a model system to elucidate the governing principles for designing high performance catalysts with multiple active components for CO2 hydrogenation to methanol. 展开 关键词: reaction mechanisms interaction synergy ZrO2-containing catalysts ...
CO2 hydrogenation to methanol and to other alcohol Rodriguez,A Jose,Vines,... - 《Topics in Catalysis》 被引量: 10发表: 2015年 The conversion of CO2 to methanol on orthorhombic β-Mo2C and Cu/β-Mo2C catalysts: mechanism for admetal induced change in the selectivity and activity The convers...
Boosted CO2hydrogenation to methanol was achieved by introducing appropriate amount of Au into conventional Cu-based catalysts. The AuxCu/ZnObimetallic catalystswith various Au/Cu molar ratio (x = 0.001, 0.005, 0.02 and 0.05) were prepared by the co-precipitation method, among which the Au0.005Cu...
Despite great efforts, the reaction mechanism of CO2hydrogenation to methanol as well as the nature of the active sites on CZZ catalysts are still under debate and are not comprehensively understood due to the complexity of the ternary system2,3,7,16,18,19. In order to simplify the issues,...
CO2 hydrogenation on Cu/Al2O3: role of the metal/support interface in driving activity and selectivity of a bifunctional catalyst. Angew. Chem. Int. Ed. 58, 13989–13996 (2019). Article CAS Google Scholar Studt, F. et al. The mechanism of CO and CO2 hydrogenation to methanol over Cu...
whichnormallyshowverylowselectivityofmethanolatsuchhightemperature.Thisconfirms theprevioustheoreticalstudythatIn 2 O 3 inhibitsthereversewatergasshift,acompetitiveendothermic reactionformethanolsynthesisfromCO 2 hydrogenation.ThemechanismforCO 2 hydrogenationto methanoloverIn 2 O 3 catalysthasbeendiscussed. ...
14.3 % CO2conversion and 69.7 % methanol selectivity are achieved over the obtained Ru/In2O3at 300 °C and 5 MPa. Density functional theoretical (DFT) study was conducted to investigate the mechanism for methanol synthesis on Ru/In2O3. The DFT study indicates that the CO-hydrogenation route...