Dataset Information

Regulating N Species in N-Doped Carbon Electro-Catalysts for High-Efficiency Synthesis of Hydrogen Peroxide in Simulated Seawater.

ABSTRACT: Electrochemical oxygen reduction reaction (ORR) is an attractive and alternative route for the on-site production of hydrogen peroxide (H₂ O₂ ). The electrochemical synthesis of H₂ O₂ in neutral electrolyte is in early studying stage and promising in ocean-energy application. Herein, N-doped carbon materials (N-C_x ) with different N types are prepared through the pyrolysis of zeolitic imidazolate frameworks. The N-C_x catalysts, especially N-C₈₀₀ , exhibit an attracting 2e^- ORR catalytic activity, corresponding to a high H₂ O₂ selectivity (≈95%) and preferable stability in 0.5 m NaCl solution. Additionally, the N-C₈₀₀ possesses an attractive H₂ O₂ production amount up to 631.2 mmol g^-1 h^-1 and high Faraday efficiency (79.8%) in H-type cell. The remarkable 2e^- ORR electrocatalytic performance of N-C_x catalysts is associated with the N species and N content in the materials. Density functional theory calculations suggest carbon atoms adjacent to graphitic N are the main catalytic sites and exhibit a smaller activation energy, which are more responsible than those in pyridinic N and pyrrolic N doped carbon materials. Furthermore, the N-C₈₀₀ catalyst demonstrates an effective antibacterial performance for marine bacteria in simulated seawater. This work provides a new insight for electro-generation of H₂ O₂ in neutral electrolyte and triggers a great promise in ocean-energy application.

SUBMITTER: Wang N

PROVIDER: S-EPMC10625060 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Regulating N Species in N-Doped Carbon Electro-Catalysts for High-Efficiency Synthesis of Hydrogen Peroxide in Simulated Seawater.

Wang Nan N Ma Shaobo S Zhang Ruiyong R Wang Lifei L Wang Yanan Y Yang Lihui L Li Jianhua J Guan Fang F Duan Jizhou J Hou Baorong B

Advanced science (Weinheim, Baden-Wurttemberg, Germany) 20230928 31

Electrochemical oxygen reduction reaction (ORR) is an attractive and alternative route for the on-site production of hydrogen peroxide (H2 O2 ). The electrochemical synthesis of H2 O2 in neutral electrolyte is in early studying stage and promising in ocean-energy application. Herein, N-doped carbon materials (N-Cx ) with different N types are prepared through the pyrolysis of zeolitic imidazolate frameworks. The N-Cx catalysts, es ...[more]

PMID: 37767950

Similar Datasets

Project description:Given that adsorption is widely regarded as a favorable technique for hydrogen storage, it is appropriate to pursue the development of suitable adsorbent materials for industrial storage. This study aimed to assess the potential of Fe-doped carbon nanotubes (FeCNT) as a remarkable material for hydrogen storage. The structures of pure and Fe-doped CNTs were optimized based on quantum mechanical calculations using density functional theory (DFT) with the Perdew-Burke-Ernzerhof (PBE) method. To gain a comprehensive understanding of the adsorption behavior, Monte Carlo simulation was employed to investigate the adsorption of hydrogen molecules on FeCNT. The study specifically examined the impact of temperature, pressure, and hydrogen mole percentage on the adsorption capacity of FeCNT. The findings indicated that the uptake of hydrogen increased as the pressure increased, and when the pressure exceeded 5 MPa, FeCNT reached a state of near saturation. At room temperature and pressures of 1 and 5 MPa, the hydrogen capacities of FeCNT were determined to be 1.53 and 6.92 wt%, respectively. The radial distribution function diagrams confirmed the formation of a one-layer adsorption phase at pressures below 5 MPa. A comparison of the temperature dependence of hydrogen adsorption between FeCNT and pure CNT confirmed the effectiveness of Fe doping in hydrogen storage up to room temperature. FeCNT exhibited a greater reduction in initial hydrogen capacity at temperatures above room temperature. To evaluate the safety of the system, the use of N2 as a dilution agent was investigated by examining the hydrogen uptake of FeCNT from pure and H2/N2 mixtures at 300 K. The results showed that the addition of N2 to the environment had no significant effect on FeCNT hydrogen storage at pressures below 4 MPa. Furthermore, the study of H2 selectivity from the H2/N2 mixture indicated that FeCNT demonstrated a preference for adsorbing H2 over a wide range of bulk mole fractions at pressures of 4 and 5 MPa, suggesting that these pressures could be considered optimal. Under these conditions, Fe doping can offer an efficient and selective adsorption surface for hydrogen storage.

Dataset Information

Regulating N Species in N-Doped Carbon Electro-Catalysts for High-Efficiency Synthesis of Hydrogen Peroxide in Simulated Seawater.

Publications

Regulating N Species in N-Doped Carbon Electro-Catalysts for High-Efficiency Synthesis of Hydrogen Peroxide in Simulated Seawater.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets