The formation of HOCO in the coadsorption of water and carbon monoxide on Pt<sub>3</sub>Ni(111)

Politano, Antonio; Chiarello, G.

doi:10.1039/c4ra08066a

Cited by 6 publications

(5 citation statements)

References 58 publications

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“…Figure 3b-e show the calculated IR spectra of four types of CO adsorption models. C-O intramolecular stretching was sensitive on the adsorption sites [36], as described more extensively in original papers [37][38][39][40]. The calculated symmetric vibrational modes for CO adsorption at the top Ni atom surface was 1992 cm −1 (2131 cm −1 after correction), and the experimental value was 2091 cm −1 .…”

Section: Various Types Of Active Sitesmentioning

confidence: 81%

Clarification of Active Sites at Interfaces between Silica Support and Nickel Active Components for Carbon Monoxide Methanation

Zhang

Tian

et al. 2018

Catalysts

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Identification of active site is critical for developing advanced heterogeneous catalysis. Here, a nickel/silica (Ni/SiO2) catalyst was prepared through an ammonia-evaporation method for CO methanation. The as-obtained Ni/SiO2 catalyst shows a CO conversion of 96.74% and a methane selectivity of 93.58% at 623 K with a weight hourly space velocity of 25,000 mL·g−1·h−1. After 150 h of continuous testing, the CO conversion still retains 96%, which indicates a high catalyst stability and long life. An in situ vacuum transmission infrared spectrum demonstrates that the main active sites locate at the interface between the metal Ni and the SiO2 at a wave number at 2060 cm−1 for the first time. The interesting discovery of the active site may offer a new insight for design and synthesis of methanation catalysts.

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Section: Various Types Of Active Sitesmentioning

confidence: 81%

Clarification of Active Sites at Interfaces between Silica Support and Nickel Active Components for Carbon Monoxide Methanation

Zhang

Tian

et al. 2018

Catalysts

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“…Recently, this intermediate was observed by high-resolution electron energy loss spectroscopy in a water–gas shift (WGS) reaction (H 2 O + CO ⇌ H 2 + CO 2 ) on Pt 3 Ni(111). Analysis of the vibrational spectrum indicates the formation of HOCO species at 128–131 meV (∼1056 cm –1 ) . Using an ab initio molecular dynamics method, this band is located between 1111 and 1011 cm –1 .…”

Section: Resultsmentioning

confidence: 99%

“…Analysis of the vibrational spectrum indicates the formation of HOCO species at 128–131 meV (∼1056 cm –1 ). 43 Using an ab initio molecular dynamics method, this band is located between 1111 and 1011 cm –1 . It can be suggested that hydrogen-stabilized HOCO in a {HOCOH} adduct has a longer lifetime, so it is detectable more easily by an in situ DRIFTS technique.…”

Section: Resultsmentioning

confidence: 99%

Optimized Pt–Co Alloy Nanoparticles for Reverse Water–Gas Shift Activation of CO₂

Szamosvölgyi,

Pitó,

Efremova

et al. 2024

ACS Appl. Nano Mater.

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Different Co contents were used to tune bimetallic Pt−Co nanoparticles with a diameter of 8 nm, resulting in Pt:Co ratios of 3.54, 1.51, and 0.96. These nanoparticles were then applied to the MCF-17 mesoporous silica support. The synthesized materials were characterized with HR-TEM, HAADF-TEM, EDX, XRD, BET, ICP-MS, in situ DRIFTS, and quasi in situ XPS techniques. The catalysts were tested in a thermally induced reverse water− gas shift reaction (CO 2 :H 2 = 1:4) at atmospheric pressure in the 200−700 °C temperature range. All bimetallic Pt−Co particles outperformed the pure Pt benchmark catalyst. The nanoparticles with a Pt:Co ratio of 1.51 exhibited 2.6 times higher activity and increased CO selectivity by 4% at 500 °C. Experiments proved that the electron accumulation and alloying effect on the Pt−Co particles are stronger with higher Co ratios. The production of CO followed the formate reaction pathway on all catalysts due to the face-centered-cubic structure, which is similar to the Pt benchmark. It is concluded that the enhanced properties of Co culminate at a Pt:Co ratio of 1.51 because decreasing the ratio to 0.96 results in lower activity despite having more Co atoms available for the electronic interaction, resulting in the lack of electron-rich Pt sites.

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“…As a matter of the fact, the vibrational spectrum shows the CH bending at 170 meV and the CH stretching at 368 meV, which are the two most intense bands in vibrational spectra of formate probed by HREELS . Conversely, carbonate and carboxylate would exhibit a quite different HREELS spectrum.…”

Section: Resultsmentioning

confidence: 99%

Toward the Effective Exploitation of Topological Phases of Matter in Catalysis: Chemical Reactions at the Surfaces of NbAs and TaAs Weyl Semimetals

Politano

Chiarello

et al. 2018

Adv Funct Materials

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By means of density functional theory and experiments, surface chemical reactivity of single crystals of NbAs and TaAs Weyl semimetals is studied.Weyl semimetals exhibit outstanding reactivity toward simple molecules (oxygen, carbon monoxide, and water), with several active sites available for surface chemical reactions (adsorption, decomposition, formation of reaction products, recombination of decomposition fragments). When different chemical species are adsorbed on Weyl semimetals, strong lateral interactions between coadsorbed species occur, evidenced by CO-promoted water decomposition at room temperature. The resulting OH groups react with CO to form HCOO, which is an intermediate species in watergas shift reaction. These findings unambiguously demonstrate that Weyl semimetals could be effectively used in catalysis, whereas their employment in nanoelectronics or plasmonics is complicated by the poor ambient stability, due to the rapid surface oxidation, inevitably occurring unless protective capping layers are used.

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The formation of HOCO in the coadsorption of water and carbon monoxide on Pt₃Ni(111)

Cited by 6 publications

References 58 publications

Clarification of Active Sites at Interfaces between Silica Support and Nickel Active Components for Carbon Monoxide Methanation

Clarification of Active Sites at Interfaces between Silica Support and Nickel Active Components for Carbon Monoxide Methanation

Optimized Pt–Co Alloy Nanoparticles for Reverse Water–Gas Shift Activation of CO₂

Toward the Effective Exploitation of Topological Phases of Matter in Catalysis: Chemical Reactions at the Surfaces of NbAs and TaAs Weyl Semimetals

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The formation of HOCO in the coadsorption of water and carbon monoxide on Pt3Ni(111)

Cited by 6 publications

References 58 publications

Clarification of Active Sites at Interfaces between Silica Support and Nickel Active Components for Carbon Monoxide Methanation

Clarification of Active Sites at Interfaces between Silica Support and Nickel Active Components for Carbon Monoxide Methanation

Optimized Pt–Co Alloy Nanoparticles for Reverse Water–Gas Shift Activation of CO2

Toward the Effective Exploitation of Topological Phases of Matter in Catalysis: Chemical Reactions at the Surfaces of NbAs and TaAs Weyl Semimetals

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The formation of HOCO in the coadsorption of water and carbon monoxide on Pt₃Ni(111)

Optimized Pt–Co Alloy Nanoparticles for Reverse Water–Gas Shift Activation of CO₂