Transition metal atom doped C2N as catalyst for the oxygen reduction reaction: A density functional theory study

Lin, Shangyu; Qiao, Qingan; Chen, Xin; Hu, Rui; Lai, Nanjun

doi:10.1016/j.ijhydene.2020.07.103

Cited by 33 publications

(14 citation statements)

References 45 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The fitted lines of K-L plots (Fig. 11b) show good linearity at different potentials, and this indicates firstorder ORR reaction kinetics toward the concentration of dissolved oxygen in neutral electrolytes [46,53]. The average electron transfer number was 4.3 demonstrating that ORR catalyzed by MnFe 2 O 4 /AC mainly proceeds via a 4-electron mechanism.…”

Section: Electrochemical Performance Of the Electrocatalysts Toward Orrmentioning

confidence: 72%

“…The surface properties and the pore structure of the prepared composites (MnFe 2 O 4 /AC, CuFe 2 O 4 /AC, and NiFe 2 O 4 /AC) were studied by N 2 adsorption-desorption isotherms. It is commonly regarded that carbon materials with a multi-level porous structure provide a large number of catalytic active sites with fine dispersion and suitable channels to facilitate reactant diffusion and electron transfer [53]. Figure 5a showed that the catalysts exhibited classical type IV isotherms and a well-defined hysteresis loop close to high relative pressure in the P/P ∘ range (0.7-1) for all samples, which is characteristic for mesoporous materials.…”

Section: Surface Analysismentioning

confidence: 96%

See 1 more Smart Citation

Spinel structure of activated carbon supported MFe2O4 composites as an economic and efficient electrocatalyst for oxygen reduction reaction in neutral media

Sabaa

El–Khatib

El‐Kady

et al. 2022

J Solid State Electrochem

View full text Add to dashboard Cite

For more sustainability and marketing of microbial fuel cells (MFCs) in wastewater treatment, the sluggish kinetics of cathode oxygen reduction reaction (ORR) and platinum scarcity (with its high cost) should be swept away. So, this work aimed to synthesize metal ferrite (MFe2O4; M = Mn, Cu, and Ni) -based activated carbon composites as inexpensive ORR cathode catalysts. The composites were synthesized using a facile modified co-precipitation approach with low-thermal treatment and labeled as MnFe2O4/AC, CuFe2O4/AC, and NiFe2O4/AC. The as-synthesized catalysts are physicochemically characterized by X-ray diffraction (XRD), Raman spectroscopy, Fourier transform infrared microscopy (FTIR), Barrett-Joyner-Halenda (BJH), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HR-TEM), and electron spin resonance (ESR). The electrochemical catalytic performance toward ORR was studied in a phosphate buffer solution (PBS) at neutral media via cyclic voltammetry (CV) and linear sweep voltammetry (LSV). MnFe2O4/AC has the highest onset potential (Eonset) value of − 0.223 V compared to CuFe2O4/AC (− 0.280 V) and NiFe2O4/AC (− 0.270 V). MnFe2O4/AC also has the highest kinetic current density (jK) and lowest Tafel slope (− 5 mA cm−2 and − 330 mV dec−1) compared to CuFe2O4/AC (− 3.05 mA cm−2 and − 577 mV dec−1) and NiFe2O4/AC (− 2.67 mA cm−2 and − 414 mV dec−1). The ORR catalyzed by MnFe2O4/AC at pH = 7 proceeds via a 4e− -kinetic pathway. The ESR is in good agreement with the electrochemical analysis due to the highest ∆Hppvalue for MnFe2O4/AC compared to CuFe2O4/AC and NiFe2O4/AC. Thus, MnFe2O4/AC is suggested as a promising alternative to Pt- electrocatalyst cathode for MFCs at neutral conditions. Graphical Abstract

show abstract

Section: Electrochemical Performance Of the Electrocatalysts Toward Orrmentioning

confidence: 72%

Section: Surface Analysismentioning

confidence: 96%

Spinel structure of activated carbon supported MFe2O4 composites as an economic and efficient electrocatalyst for oxygen reduction reaction in neutral media

Sabaa

El–Khatib

El‐Kady

et al. 2022

J Solid State Electrochem

View full text Add to dashboard Cite

show abstract

“…Theoretically, C 2 N-supported metal catalysts have been proved to catalyze CO 2 reduction, oxygen reduction, and the HER. 14,33,34,[38][39][40][41][42][43][44][45] In general, the O 2 molecule is the most common oxidant for CO oxidation. 24,[46][47][48][49]…”

Section: Introductionmentioning

confidence: 99%

“…Theoretically, C 2 N-supported metal catalysts have been proved to catalyze CO 2 reduction, oxygen reduction, and the HER. 14,33,34,38–45…”

Section: Introductionmentioning

confidence: 99%

Al-Embedded C₂N: a DFT study on a promising catalyst for CO oxidation

Liu

2022

New J. Chem.

View full text Add to dashboard Cite

show abstract

“…The single-atom catalyst (SAC) and double-atom catalyst (DAC) nanostructures have been experimentally achieved in metal oxides and in C 2 N and shown very enhanced catalytic activity towards several toxic gas reduction reactions (e.g., CO x , NO x and SO x ) of environmental concern 29 – 31 . The successful syntheses of SAC and DAC in C 2 N also inspired and triggered many theoretical efforts to study the corresponding reaction mechanisms 32 – 34 .…”

Section: Introductionmentioning

confidence: 99%

Magnetic single atom catalyst in C2N to induce adsorption selectivity toward oxidizing gases

Mushtaq

Tit

2021

Sci Rep

View full text Add to dashboard Cite

Density functional theory (DFT) method is used to study the effect of single-atom catalyst (SAC) of Mn embedded in C2N nanoribbon (C2N-NR) on the adsorption properties as an attempt to achieve selectivity. Many gases (e.g., CO, CO2, H2, H2O, H2S, N2 and O2) of interest to energy and environmental applications were tested. The results show that SAC-Mn alters chemisorption processes with all gas molecules except N2. Clear adsorption selectivity is obtained towards oxidizing CO, CO2 and O2 molecules as evidenced by the enhancements in binding energy and charge transfer and the reduction in magnetization. While the SAC-Mn contributes predominantly to Fermi-energy region with spin-down states, the strong binding to oxidizing molecules introduces there more spin-up states to compromise and reduce the magnetization. Hence, C2N-NR:Mn is proposed to be used as platform for gas sensor (if combined with magnetic sensor) to yield high selectivity toward these latter gases.

show abstract

Transition metal atom doped C2N as catalyst for the oxygen reduction reaction: A density functional theory study

Cited by 33 publications

References 45 publications

Spinel structure of activated carbon supported MFe2O4 composites as an economic and efficient electrocatalyst for oxygen reduction reaction in neutral media

Spinel structure of activated carbon supported MFe2O4 composites as an economic and efficient electrocatalyst for oxygen reduction reaction in neutral media

Al-Embedded C₂N: a DFT study on a promising catalyst for CO oxidation

Magnetic single atom catalyst in C2N to induce adsorption selectivity toward oxidizing gases

Contact Info

Product

Resources

About

Transition metal atom doped C2N as catalyst for the oxygen reduction reaction: A density functional theory study

Cited by 33 publications

References 45 publications

Spinel structure of activated carbon supported MFe2O4 composites as an economic and efficient electrocatalyst for oxygen reduction reaction in neutral media

Spinel structure of activated carbon supported MFe2O4 composites as an economic and efficient electrocatalyst for oxygen reduction reaction in neutral media

Al-Embedded C2N: a DFT study on a promising catalyst for CO oxidation

Magnetic single atom catalyst in C2N to induce adsorption selectivity toward oxidizing gases

Contact Info

Product

Resources

About

Al-Embedded C₂N: a DFT study on a promising catalyst for CO oxidation