High activity of step sites on Pd nanocatalysts in electrocatalytic dechlorination

Lou, Yao‐Yin; Chi, Xiao; Fang, Jiayi; Sheng, Tian; Ji, Lingfei; Zheng, Qizheng; Xu, Binbin; Tian, Na; Sun, Shi‐Gang

doi:10.1039/d1cp04975e

Cited by 11 publications

(8 citation statements)

References 38 publications

(41 reference statements)

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“…Based on the results, Pd/C has the best catalytic impact on the degradation of WPVC through catalytic HTT; therefore, it was used in the remaining trials to study the effects of (1) catalyst loading ratio, (2) HTT temperature, and (3) residence time. Pd/C may exhibit high catalytic activity in dechlorination processes, potentially making it more efficient in promoting the cleavage of CCl bonds in PVC and leading to better dichlorination 40 . In addition, Pd/C may display better selectivity for desired dechlorination products, reducing unwanted byproducts 41 .…”

Section: Resultsmentioning

confidence: 99%

“…54 Pd catalyst may exhibit higher catalytic activity and selectivity towards dechlorination reactions, leading to more efficient conversion of WPVC into less chlorinated or chloro-organic compounds. 40 Moreover, the unique surface properties and electronic structure of Pd contribute to its enhanced performance, as they promote the adsorption and activation of chlorine-containing WPVC molecules, enabling efficient dechlorination reactions. 41 the Pd/C loading is increased from 2.5% to 5%.…”

Section: Catalytic Dechlorination Of Wpvcmentioning

confidence: 99%

“…The high reactivity of noble metals allows for the generation of highly reactive species, such as hydroxyl radicals, which promote the cleavage of carbon-carbon bonds and the breakdown of WPVC time. Pd/C may exhibit high catalytic activity in dechlorination processes, potentially making it more efficient in promoting the cleavage of C Cl bonds in PVC and leading to better dichlorination 40. In addition, Pd/C may display better selectivity for desired dechlorination products, reducing unwanted byproducts 41.…”

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confidence: 99%

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Elucidating dechlorination of waste polyvinyl chloride under high‐temperature catalytic hydrothermal treatment

Ghalandari,

Scannell,

Reza

2023

AIChE Journal

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This study focused on evaluating the reduction of chlorine content in waste polyvinyl chloride (WPVC) through high‐temperature catalytic hydrothermal treatment (HTT). Catalytic HTT experiments were carried out to evaluate the effect of noble metal catalysts (Ru/C, Pt/C, and Pd/C), residence time (0.5, 1, 2, and, 4 h), reaction temperature (300, 325, and 350°C), and catalyst loading (0, 5, and 10 wt%). The findings indicated that dechlorination efficiency can be achieved by 99.01% at 350°C and 1 h, with 10 wt% Pd/C loading. Based on chlorine balance, the chlorine content of the solid phase significantly decreased from 568.8 to 5.64 g kg−1 at the same condition. The catalytic HTT solid residue ash has low chlorine content under most operational conditions. These results suggest that catalytic HTT is an effective method to dechlorinate WPVC as a high‐halogenated waste plastic in order to reduce its harmful effect on the environment.

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Section: Resultsmentioning

confidence: 99%

Section: Catalytic Dechlorination Of Wpvcmentioning

confidence: 99%

mentioning

confidence: 99%

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Elucidating dechlorination of waste polyvinyl chloride under high‐temperature catalytic hydrothermal treatment

Ghalandari,

Scannell,

Reza

2023

AIChE Journal

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“…This work provides a more in-depth insight into the mechanism of the EHDC reaction on Pd, which could facilitate the proper selection of suitable catalysts and operating conditions (Figure 9c−g). Lou et al 172 studied the role of step center on Pd nanoparticles in the electrocatalytic dechlorination process with tetrahedral Pd (310) and cubic Pd (100) nanoparticles as models and alachlor as model pollutants. The results showed that the tetrahedral Pd (310) nanoparticles with rich steps had a higher electrocatalytic performance than the cubic Pd (100) nanoparticles with terrace sites.…”

Section: Regulation Of D-bandmentioning

confidence: 99%

Rational Design and Structural Regulation of Robust Catalysts for Electrocatalytic Hydrodechlorination: From Nanostructures to Single Atoms

Zhang

et al. 2023

ACS Catal.

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As a class of persistent pollutants that are easily bioaccumulatable and highly biotoxic, chlorinated organic pollutants exist in the environment and pose a substantial threat to ecological safety. The electrocatalytic hydrodechlorination (EHDC) technology shows the advantages of high efficiency, simple operation, mild reaction conditions, and no secondary pollution and thus promises a good application prospect in the treatment of chlorinecontaining pollutants. Pd-based catalysts are considered the most efficient catalysts for electroreductive dechlorination thus far, yet the reserves of Pd are scarce, and the price is often prohibitively high. The development of noble metal catalysts with high atom utilization and non-noble metal catalysts for EHDC has become a hot research topic, but relevant reviews are still lacking. In this paper, the research progress on EHDC catalysts during recent years is reviewed and the influence of catalyst microstructure regulation on the EHDC performance is discussed in detail. The regulation strategies including the regulation mechanisms of electronic effect, support effect, size effect, and coordination effect for enhancing the EHDC performance of catalysts at different scales (from nanostructures to single atoms) are summarized and proposed, which could provide guidance for the development of efficient EHDC catalysts from the atomic scale. At the end of this review, the application prospects and challenges for EHDC catalysts are also discussed.

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“…In this study, we provide an assessment on potential effect of catalysis efficiency of the interfacial organization of TCE, TCB, and PCB77 as chosen adsorbates on three different substrates, namely Pd {111}, Pd {110}, and Pd {100} at various liquid temperatures. The reaction mechanisms in our recent work (Shenoy et al, 2021) and others (Lou et al, 2022;Pavloudis et al, 2022) using density functional theory (DFT) have provided an insight into how facet-specific optimal adsorption leads to efficient dechlorination, where molecular orientation will affect dechlorination mechanism and thus affect the catalytic efficiency. To tackle such problems, a system including hundreds of containment molecules using DFT or ab initio MD methods is longed for, but way beyond the capability of simulations.…”

Section: Introductionmentioning

confidence: 99%

Non-reactive facet specific adsorption as a route to remediation of chlorinated organic contaminants

et al. 2023

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The present work quantifies metal-contaminant interactions between palladium substrates and three salient chlorinated organic contaminants, namely trichloroethylene 1,3,5-trichlorobenzene (TCB), and 3,3′,4,4′-tetrachlorobiphenyl (PCB77). Given that Pd is one of the conventional catalytically active materials known for contaminant removal, maximizing catalytic efficiency through optimal adsorption dynamics reduces the cost of remediation of contaminants that are persistent water pollutants chronically affecting public health. Adsorption efficiency analyses from all-atom molecular dynamics (MD) simulations advance the understanding of reaction mechanisms available from density functional theory (DFT) calculations to an extractable feature scale that can fit the parametric design of supported metal catalytic systems and feed into high throughput catalyst selection. Data on residence time, site-specific adsorption, binding energies, packing geometries, orientation profiles, and the effect of adsorbate size show the anomalous behaviour of organic contaminant adsorption on the undercoordinated {110} surface as compared to the {111} and {100} surfaces. The intermolecular interaction within contaminants from molecular dynamics simulation exhibits refreshing results than ordinary single molecule density functional theory calculation. Since complete adsorption and dechlorination is an essential step for chlorinated organic contaminant remediation pathways, the presented profiles provide essential information for designing efficient remediation systems through facet-controlled palladium nanoparticles.

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High activity of step sites on Pd nanocatalysts in electrocatalytic dechlorination

Abstract: The role of step sites on nanocatalysts in electrocatalytic dechlorination reaction (ECDR) is studied by using 3 Pd nanocatalysts with different density of step sites, which is decreasing on tetrahexahedral...

Cited by 11 publications

References 38 publications

Elucidating dechlorination of waste polyvinyl chloride under high‐temperature catalytic hydrothermal treatment

Elucidating dechlorination of waste polyvinyl chloride under high‐temperature catalytic hydrothermal treatment

Rational Design and Structural Regulation of Robust Catalysts for Electrocatalytic Hydrodechlorination: From Nanostructures to Single Atoms

Non-reactive facet specific adsorption as a route to remediation of chlorinated organic contaminants

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