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Chapter
Rational Engineering of Photocathodes for Hydrogen Production: Heterostructure, Dye-Sensitized, Perovskite, and Tandem Cells
The use of renewable energy to generate hydrogen (H2) via photoelectrochemical (PEC) water splitting is an auspicious approach. In PEC, cathode electrode leads to a half-cell hydrogen evolution reaction (HER), an...
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Article
Open AccessHigh-throughput materials screening algorithm based on first-principles density functional theory and artificial neural network for high-entropy alloys
This work introduced the high-throughput phase prediction of PtPd-based high-entropy alloys via the algorithm based on a combined Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) and artificia...
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Article
The effect of Zn do** on active Cu species and its location of Cu-exchanged mordenite for the stepwise oxidation of methane to methanol
The effect of Zn do** (0.5–3 wt%) on Cu-exchanged mordenite (Cu-MOR) was investigated during the stepwise oxidation of methane to methanol. The strong interaction between Cu and ZnOx stabilized the highly-dispe...
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Article
Open AccessOn a high photocatalytic activity of high-noble alloys Au–Ag/TiO2 catalysts during oxygen evolution reaction of water oxidation
The analysis via density functional theory was employed to understand high photocatalytic activity found on the Au–Ag high-noble alloys catalysts supported on rutile TiO2 during the oxygen evolution of water oxid...
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Article
Deactivating and Non-Deactivating Coking Found on Ni-Based Catalysts during Combined Steam-Dry Reforming of Methane
Management of coke formation during the dry reforming (DRM) and combined steam reforming (CSDRM) of methane is a crucial key towards the control of catalyst performance of such processes. Hence, this work prov...
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Article
Open AccessIdentification of extremely hard coke generation by low-temperature reaction on tungsten catalysts via Operando and in situ techniques
The coke formation in the catalytic system mainly cause to the catalyst deactivate resulting the dramatic decreasing of the catalyst performance then the catalyst regeneration was required. In this study, addi...
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Article
Open AccessExperimental and computational investigation on underlying factors promoting high coke resistance in NiCo bimetallic catalysts during dry reforming of methane
Global warming remains one of the greatest challenges. One of the most prominent solutions is to close the carbon cycle by utilizing the greenhouse gas: CO2, and CH4, as a feedstock via the dry reforming of metha...
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Article
Open AccessExperimental and computational study on roles of WOx promoting strong metal support promoter interaction in Pt catalysts during glycerol hydrogenolysis
Biodiesel is of high interest due to increased demand for energy with the concern regarding more sustainable production processes. However, an inevitable by-product is glycerol. Hence, the conversion of this b...
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Article
Open AccessPerformance controlled via surface oxygen-vacancy in Ti-based oxide catalyst during methyl oleate epoxidation
The catalytic performance with high conversion and high selectivity of Ti-based oxide catalysts have been widely investigated. Besides, stability, which is an essential parameter in the industrial process, lac...
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Article
Open AccessA computational-experimental investigation on high ethylene selectivity in ethanol dehydration reaction found on WOx/ZrO2-activated carbon bi-support systems
The high ethylene selectivity exhibited on the zirconia-activated-carbon bi-support catalyst is investigated by experiment and density functional theory–based (DFT) analysis. This bi-support catalyst systems p...
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Article
Open AccessAnnealing induced a well-ordered single crystal δ-MnO2 and its electrochemical performance in zinc-ion battery
Herein, the formation and electrochemical performance of a novel binder-free turbostratic stacked/ well-ordered stacked δ-MnO2-carbon fiber composite cathodes in deep eutectic solvent (DES) based zinc-ion battery...
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Article
Open AccessThe Influence of Dimethyl Sulfoxide as Electrolyte Additive on Anodic Dissolution of Alkaline Zinc-Air Flow Battery
The present work describes the effects of dimethyl sulfoxide (DMSO) in KOH aqueous electrolyte on the performance of a zinc-air flow battery. Aqueous electrolytes containing 7 M KOH and (0 to 20)% v/v DMSO wer...
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Article
Performance evaluation of catalysts in the dry reforming reaction of methane via the ratings concept
The concept of reactivity and stability ratings is proposed as a screening tool for identification of reactive and stable catalysts in the dry reforming reaction of methane (DRR), in which reactivity and stabi...
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Article
Observation on Different Turnover Number in Two-phase Acid-catalyzed Esterification of Dilute Acetic Acid and 1-Heptanol
This paper reports on the two-phase acid-catalyzed esterification of dilute acetic acid and 1-heptanol. It reveals larger turnover number of the Amberlyst 15 than sulfuric acid. It indicates that adsorbed wate...