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Schilke, Tobin C.; Fisher, Ian A.; Bell, Alexis T.

doi:10.1023/a:1019044425607

Cited by 19 publications

(16 citation statements)

References 16 publications

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“…The total amount of basic sites deduced from the CO 2 desorbed in both the α and β peaks over the different Cu–ZnO–ZrO 2 catalysts increased in the order of CZZ‐80<CZZ‐100<CZZ‐150<CZZ‐120. A higher basicity on the surface of a catalyst is favorable for the adsorption of acidic CO 2 and, consequently, increases the activity …”

Section: Resultsmentioning

confidence: 99%

“…Ah igher basicityo nt he surface of ac atalyst is favorable for the adsorption of acidic CO 2 and, consequently,i ncreases the activity. [32,38] TheH 2 -TPD patterns of all the Cu-ZnO-ZrO 2 catalysts displayt wo wide peaks in the temperature rangeso f5 0-300 and 300-550 8C( Figure 6). According to previous reports, [39] the a peak at al ow temperature is related to atomic hydrogen desorbed from surface Cu sites,a nd the b peak at ah igh temperature is attributed to the hydrogen desorbed from either the bulk Cu particles or the ZnO surface.T he quantitative data of H 2 desorption and the peak positionsfor different catalysts are listed in Table 6.…”

Section: Adsorption Properties Of the Reduced Catalystsmentioning

confidence: 99%

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Microwave‐Assisted Hydrothermal Synthesis of CuO–ZnO–ZrO₂ as Catalyst for Direct Synthesis of Methanol by Carbon Dioxide Hydrogenation

et al. 2017

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A series of CuO–ZnO–ZrO2 catalysts was prepared by a facile microwave‐assisted hydrothermal synthesis method and used for the direct synthesis of methanol by CO2 hydrogenation in a fixed‐bed reactor at 240 °C, 3.0 MPa, CO2/H2=1:3 (v/v), and space velocity of 2400 mL gcat−1 h−1. The effects of the hydrothermal synthesis temperature (80–150 °C) on the physicochemical properties and catalytic activity of the CuO–ZnO–ZrO2 catalysts were investigated by using several techniques, including XRD, N2 adsorption, reactive N2O adsorption, SEM with energy‐dispersive X‐ray spectroscopy, X‐ray photoelectron spectroscopy, temperature‐programmed reduction by H2, and the temperature‐programmed desorption of adsorbed CO2 and H2. The catalyst prepared at 120 °C possessed a high surface area, a high dispersion of Cu species, a high adsorption capacity for CO2 and H2, and thus exhibited a high CO2 conversion and methanol selectivity. The surface area of metallic Cu (SCu) is the critical factor in determining the activity of the CuO–ZnO–ZrO2 catalyst.

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Section: Resultsmentioning

confidence: 99%

Section: Adsorption Properties Of the Reduced Catalystsmentioning

confidence: 99%

Microwave‐Assisted Hydrothermal Synthesis of CuO–ZnO–ZrO₂ as Catalyst for Direct Synthesis of Methanol by Carbon Dioxide Hydrogenation

et al. 2017

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“…Their work illustrated how these tools could be used to predict binding enthalpies, reaction energies, activation barriers, and to make ab initio spectroscopic assignments. [173][174][175][176][177] Trout et al used density functional theory to study the speciation of Cu + , [CuO] + , and…”

Section: Oxidation Catalysis On Metal Oxidesmentioning

confidence: 99%

“…Alex' early work used constrained cluster models for zeolites, 175,177,184 but his more recent work used larger models with state-of-the-art quantum chemistry and importance sampling methods. Their efforts resulted in benchmark studies of hydrocarbon adsorption that include electrostatics and dispersion through QM/MM embedding schemes, 185 and re-optimized classical force fields for modelling alkanes in zeolites.…”

Section: Oxidation Catalysis On Metal Oxidesmentioning

confidence: 99%

A Career in Catalysis: Alexis T. Bell

et al. 2017

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On the occasion of Alexis T. Bell's fiftieth year at Berkeley, we are honored to discuss a few aspects of his extensive contributions to catalysis, reaction engineering, and understanding of molecular scale structure in catalytic processes. The illustrations provided here help reveal some of his traits most valued by our community: a drive to employ the best methods of instrumentational and computational analysis available; the instinct to search for the essence of the most important problems at hand, and the skill to write about them with exceptional clarity; and the formation and nurturing of collaborative teams to focus on the most essential questions.

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“…[1][2][3][4][5] Among various metals, copper-based catalysts display relatively good activity and selectivity for this reaction. [3,[6][7][8][9][10][11][12][13] In particular, copper promoted by zinc oxide/alumina (Cu/ZnO/Al2O3) [14][15][16][17][18][19][20][21] or supported on zirconia (Cu/ZrO2) [22][23][24][25][26][27][28][29][30][31][32][33][34][35][36] have shown promising activity and selectivity. The selectivity toward CH3OH has been ascribed to a synergistic effect between the promoter/support and copper.…”

Section: Introductionmentioning

confidence: 99%

Isolated Zr Surface Sites on Silica Promote Hydrogenation of CO₂ to CH₃OH in Supported Cu Catalysts

et al. 2018

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Copper nanoparticles supported on zirconia (Cu/ZrO) or related supported oxides (Cu/ZrO/SiO) show promising activity and selectivity for the hydrogenation of CO to CHOH. However, the role of the support remains controversial because most spectroscopic techniques provide information dominated by the bulk, making interpretation and formulation of structure-activity relationships challenging. In order to understand the role of the support and in particular of the Zr surface species at a molecular level, a surface organometallic chemistry approach has been used to tailor a silica support containing isolated Zr(IV) surface sites, on which copper nanoparticles (∼3 nm) are generated. These supported Cu nanoparticles exhibit increased CHOH activity and selectivity compared to those supported on SiO, reaching catalytic performances comparable to those of the corresponding Cu/ZrO. Ex situ and in situ X-ray absorption spectroscopy reveals that the Zr sites on silica remain isolated and in their +4 oxidation state, while ex situ solid-state nuclear magnetic resonance spectroscopy and catalytic performances show that similar mechanisms are involved with the single-site support and ZrO. These observations imply that Zr(IV) surface sites at the periphery of Cu particles are responsible for promoting CHOH formation on Cu-Zr-based catalysts and provide a guideline to develop selective CHOH synthesis catalysts.

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Cited by 19 publications

References 16 publications

Microwave‐Assisted Hydrothermal Synthesis of CuO–ZnO–ZrO₂ as Catalyst for Direct Synthesis of Methanol by Carbon Dioxide Hydrogenation

Microwave‐Assisted Hydrothermal Synthesis of CuO–ZnO–ZrO₂ as Catalyst for Direct Synthesis of Methanol by Carbon Dioxide Hydrogenation

A Career in Catalysis: Alexis T. Bell

Isolated Zr Surface Sites on Silica Promote Hydrogenation of CO₂ to CH₃OH in Supported Cu Catalysts

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Untitled

Cited by 19 publications

References 16 publications

Microwave‐Assisted Hydrothermal Synthesis of CuO–ZnO–ZrO2 as Catalyst for Direct Synthesis of Methanol by Carbon Dioxide Hydrogenation

Microwave‐Assisted Hydrothermal Synthesis of CuO–ZnO–ZrO2 as Catalyst for Direct Synthesis of Methanol by Carbon Dioxide Hydrogenation

A Career in Catalysis: Alexis T. Bell

Isolated Zr Surface Sites on Silica Promote Hydrogenation of CO2 to CH3OH in Supported Cu Catalysts

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Product

Resources

About

Microwave‐Assisted Hydrothermal Synthesis of CuO–ZnO–ZrO₂ as Catalyst for Direct Synthesis of Methanol by Carbon Dioxide Hydrogenation

Microwave‐Assisted Hydrothermal Synthesis of CuO–ZnO–ZrO₂ as Catalyst for Direct Synthesis of Methanol by Carbon Dioxide Hydrogenation

Isolated Zr Surface Sites on Silica Promote Hydrogenation of CO₂ to CH₃OH in Supported Cu Catalysts