Quantum-chemical study on the catalytic activity of TinRumO2 (110) surfaces on chlorine evolution

Hu, Xiaohua; Pan, Jiachuan; Wang, Dan; Wen, Zhongsheng; Wang, Hao‐Yuan; Wang, Lin-Yi

doi:10.1016/j.cclet.2014.12.011

Cited by 5 publications

(1 citation statement)

References 20 publications

(19 reference statements)

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“…In combination with the strong electric field on the top sites of nanotips, the high migration rate of Cl – into the Helmholtz layer for the persistent CER can be primarily maintained with the presence of adequate Cl – in solution. Furthermore, both the CER and OER are exothermic reactions, and a temperature gradient inevitably appears in the local microenvironment near the surface during reactions. , As shown in the inset of Figure a, the maximum temperature gradient at the tip with a curvature radius of 10 nm reached 233 K m –1 , which was promptly decreased to half in the regions with a curvature radius of 40 nm (Figure S22). According to the Stokes–Einstein equation, the diffusion constant of HClO is strongly temperature-dependent, which can be improved by regulating the slab into a needle structure.…”

Section: Results and Discussionmentioning

confidence: 99%

Tip-Intensified Interfacial Microenvironment Reconstruction Promotes an Electrocatalytic Chlorine Evolution Reaction

et al. 2022

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Electrocatalysis applied in energy conversions has recently been associated with nanotips that catalyze extensive fuelforming or value-adding reactions. However, the enhanced catalytic behavior governed by tip-intensified microenvironment reconstruction is particularly elusive and is yet to be understood. Here, we demonstrated a homemade visualization platform to collect information from the local microenvironment of a solution near an electrode (LMSE) with high temporal−spatial resolution, thereby figuring out the sharp-tip enhancement effect for the chlorine evolution reaction (CER). Through visualization using sensitive Cl − and pH sensors, we confirmed that periodic nanoneedles were beneficial for field-induced anion concentration, giving priority to water dissociation and synchronously creating optimal pH conditions for triggering the CER, whereby the Cl − consumption rate within the LMSE was 1.3 times higher than that of the slab counterpart. Tip-enhanced effects meanwhile endowed the local microenvironment with intensified concentration and temperature gradients for continuous transport of Cl − substrates and effective diffusion of HClO products, whereby the oxygen evolution reaction for persistent CER activities was restrained. Our study provides definitive evidence that the optimal microenvironment functionalized with tip-intensified ion concentration from the electrolyte and water dissociation at tip sites are key to stabilize the crucial reaction intermediate for superior electrocatalytic performance.

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Section: Results and Discussionmentioning

confidence: 99%

Tip-Intensified Interfacial Microenvironment Reconstruction Promotes an Electrocatalytic Chlorine Evolution Reaction

et al. 2022

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Microwave‐Assisted Solvothermal One‐Pot Synthesis of RuO₂ Nanoparticles: First Insights of Its Activity Towards Oxygen and Chlorine Evolution Reactions

et al. 2018

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A microwave-assisted solvothermal method is proposed as a rapid and low-cost fabrication procedure of RuO 2 nanoparticles using citric acid as stabilizing agent in ethylene glycol, and H 2 O 2 as oxidizing agent at 180°C. Structural and morphological characterizations of the powder are investigated using X-Ray diffraction (XRD), scanning electronic microscopy (SEM) and transmission electron microscopy (TEM). XRD analysis shows that there is a synergic effect to obtain RuO 2 nanoparticles when 6% v/v H 2 O 2 is added followed by a calcination of the powder, due to reactive oxygen intermediates ( 1 O 2 , HO À 2 , HO * 2 , * OH) generated in the first stage. TEM and SEM images of assynthesized material exhibit an uniform particle distribution (PSD) of RuO 2 nanoparticles with averaged diameter of ca. 38 nm, and its indexing indicates the RuO 2 stoichiometry with high degree of crystallinity. The preliminary electrocatalytic performance of RuO 2 nanoparticles coated on Ti is investigated using voltammetry and electrochemical impedance spectroscopy (EIS), towards the oxygen (OER) and chlorine evolution reaction (CER) in 1 mol L À 1 H 2 SO 4 and 0.1 mol L À 1 NaCl, respectively. Cyclic voltammograms of RuO 2 display typical behaviors for OER and CER at 1.25 and 1.1 V vs Ag/AgCl, respectively. A Tafel slope of 44 mV dec À 1 corrected for ohmic drop was obtained in sulfate media which confirmed the OER mechanism in the absence of chlorides; while this parameter is around 25 mV dec À 1 in NaCl (CER), strongly depending on the chloride concentration and the extent of OER input. In NaCl media, the energy barriers represented by the charge transfer resistances for CER are overcome at more positive potentials than for OER, and a greater activity of the O 2 evolution is observed as the potential became more positive.

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RuO2/TiO2/MXene with multi-heterojunctions coating on carbon cloth for high-activity chlorine evolution reaction at large current densities

Duan,

Wei,

Cai

et al. 2024

Nano Res.

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Quantum-chemical study on the catalytic activity of TinRumO2 (110) surfaces on chlorine evolution

Cited by 5 publications

References 20 publications

Tip-Intensified Interfacial Microenvironment Reconstruction Promotes an Electrocatalytic Chlorine Evolution Reaction

Tip-Intensified Interfacial Microenvironment Reconstruction Promotes an Electrocatalytic Chlorine Evolution Reaction

Microwave‐Assisted Solvothermal One‐Pot Synthesis of RuO₂ Nanoparticles: First Insights of Its Activity Towards Oxygen and Chlorine Evolution Reactions

RuO2/TiO2/MXene with multi-heterojunctions coating on carbon cloth for high-activity chlorine evolution reaction at large current densities

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Quantum-chemical study on the catalytic activity of TinRumO2 (110) surfaces on chlorine evolution

Cited by 5 publications

References 20 publications

Tip-Intensified Interfacial Microenvironment Reconstruction Promotes an Electrocatalytic Chlorine Evolution Reaction

Tip-Intensified Interfacial Microenvironment Reconstruction Promotes an Electrocatalytic Chlorine Evolution Reaction

Microwave‐Assisted Solvothermal One‐Pot Synthesis of RuO2 Nanoparticles: First Insights of Its Activity Towards Oxygen and Chlorine Evolution Reactions

RuO2/TiO2/MXene with multi-heterojunctions coating on carbon cloth for high-activity chlorine evolution reaction at large current densities

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Microwave‐Assisted Solvothermal One‐Pot Synthesis of RuO₂ Nanoparticles: First Insights of Its Activity Towards Oxygen and Chlorine Evolution Reactions